#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkt s SER -14 N 0.00 3.87 0.90 1.67 1.04 -1.26 -4.93 113.70 115.00 1nkt s SER -14 Ca 0.00 -1.27 -0.10 0.00 0.48 0.00 0.00 55.95 55.06 1nkt s SER -14 Cb 0.00 -0.39 0.17 0.00 0.10 0.00 0.00 66.02 65.90 1nkt s SER -14 CO 0.00 -0.35 1.06 -0.81 0.98 0.00 0.00 173.24 174.12 1nkt n PRO -13 N -0.92 -0.76 0.00 4.02 -0.04 -1.26 -4.19 135.00 131.85 1nkt n PRO -13 Ca -0.05 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1nkt n PRO -13 Cb 0.65 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1nkt n PRO -13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1nkt n ASP -12 N -3.47 0.00 -4.67 3.54 2.03 -1.26 -4.75 116.55 107.96 1nkt n ASP -12 Ca 0.14 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.98 1nkt n ASP -12 Cb 0.50 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1nkt n ASP -12 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nkt n LEU -11 N 0.00 3.19 0.00 -2.67 4.77 -1.26 -1.74 117.00 119.30 1nkt n LEU -11 Ca 0.00 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1nkt n LEU -11 Cb 0.00 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.71 1nkt n LEU -11 CO 0.00 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1nkt n GLY -10 N 3.93 0.44 3.73 -0.72 0.00 -1.26 -5.01 105.19 106.31 1nkt n GLY -10 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1nkt n GLY -10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nkt s THR -9 N -1.98 5.28 0.04 2.61 2.01 -0.71 -5.01 115.64 117.89 1nkt s THR -9 Ca 0.00 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 1nkt s THR -9 Cb 0.00 -3.39 -0.23 0.00 0.01 0.00 0.00 72.50 68.90 1nkt s THR -9 CO 0.00 0.47 1.16 0.25 -0.69 0.00 0.00 174.62 175.81 1nkt h LEU -8 N 6.39 0.74 -8.64 4.42 5.85 -1.95 -3.44 115.31 118.69 1nkt h LEU -8 Ca -0.42 -0.74 -0.65 0.00 0.84 0.00 0.00 57.88 56.91 1nkt h LEU -8 Cb 1.17 -0.22 -0.23 0.00 0.37 0.00 0.00 40.66 41.74 1nkt h LEU -8 CO 0.72 1.38 -0.64 -0.69 -0.34 0.00 0.00 178.44 178.87 1nkt s VAL -7 N -3.31 4.19 0.22 1.05 1.01 -1.26 -4.81 120.40 117.49 1nkt s VAL -7 Ca -0.11 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1nkt s VAL -7 Cb 0.05 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1nkt s VAL -7 CO 0.87 0.36 1.35 -2.16 0.00 0.00 0.00 175.10 175.52 1nkt s PRO -6 N 1.48 4.35 0.10 2.72 0.04 -1.26 -5.01 135.00 137.43 1nkt s PRO -6 Ca 0.06 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1nkt s PRO -6 Cb -0.15 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1nkt s PRO -6 CO 0.03 -0.30 -0.08 -0.98 0.04 0.00 0.00 177.00 175.71 1nkt s ARG -5 N -0.27 0.86 4.32 4.56 1.70 -1.26 -4.60 118.95 124.27 1nkt s ARG -5 Ca 0.57 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1nkt s ARG -5 Cb -0.38 -0.37 0.00 0.00 -0.57 0.00 0.00 34.95 33.63 1nkt s ARG -5 CO 0.40 0.03 0.00 0.41 -1.08 0.00 0.00 175.30 175.06 1nkt n GLY -4 N 0.16 3.13 0.26 3.88 0.00 -1.26 -2.11 105.19 109.25 1nkt n GLY -4 Ca -0.13 0.27 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1nkt n GLY -4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nkt h SER -3 N 0.00 -0.72 -0.18 1.61 0.02 -1.92 -2.33 113.55 110.03 1nkt h SER -3 Ca 0.00 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1nkt h SER -3 Cb 0.00 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1nkt h SER -3 CO 0.00 -0.24 0.04 -0.03 -1.14 0.00 0.00 176.83 175.46 1nkt h MET -2 N -0.15 0.30 -0.95 3.45 -1.53 -1.67 -2.73 114.93 111.65 1nkt h MET -2 Ca 0.19 -0.07 0.22 0.00 -3.44 0.00 0.00 59.70 56.60 1nkt h MET -2 Cb 0.44 -0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 31.38 1nkt h MET -2 CO -0.47 0.43 0.62 0.00 0.14 0.00 0.00 176.91 177.63 1nkt h ALA -1 N 0.85 2.22 0.05 0.39 0.00 -1.42 -0.94 119.26 120.41 1nkt h ALA -1 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nkt h ALA -1 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nkt h ALA -1 CO 0.00 -0.54 -0.03 -0.44 0.00 0.00 0.00 179.25 178.25 1nkt h ASP 0 N 0.41 -0.06 -1.09 0.00 5.19 -1.19 -0.30 116.42 119.38 1nkt h ASP 0 Ca 0.50 -0.48 0.30 0.00 -0.62 0.00 0.00 57.03 56.74 1nkt h ASP 0 Cb 1.27 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 40.73 1nkt h ASP 0 CO -0.20 0.47 0.76 0.40 -3.12 0.00 0.00 179.24 177.55 1nkt h ILE 1 N -0.62 0.47 0.06 0.35 2.04 -1.02 0.59 117.51 119.37 1nkt h ILE 1 Ca -0.01 -0.05 -0.26 0.00 1.00 0.00 0.00 64.86 65.55 1nkt h ILE 1 Cb 0.54 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1nkt h ILE 1 CO 0.01 0.02 -1.26 -0.07 0.00 0.00 0.00 178.15 176.86 1nkt h LEU 2 N 0.13 0.19 -0.46 1.44 3.38 -0.77 -2.58 115.31 116.65 1nkt h LEU 2 Ca 0.55 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 1nkt h LEU 2 Cb 1.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1nkt h LEU 2 CO -0.11 1.18 -0.09 0.28 0.09 0.00 0.00 178.44 179.79 1nkt h SER 3 N 0.03 0.87 0.55 -0.43 0.02 0.56 -3.14 113.55 112.02 1nkt h SER 3 Ca -0.12 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1nkt h SER 3 Cb 1.90 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 1nkt h SER 3 CO 0.15 1.02 -0.41 0.11 -1.14 0.00 0.00 176.83 176.56 1nkt h LYS 4 N 0.71 -0.90 0.00 3.45 6.56 -0.87 -1.91 116.57 123.61 1nkt h LYS 4 Ca 0.12 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1nkt h LYS 4 Cb 0.63 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1nkt h LYS 4 CO 0.04 -0.60 0.11 -0.07 -2.06 0.00 0.00 179.45 176.87 1nkt h LEU 5 N -0.93 0.00 0.43 2.94 3.38 -1.53 -0.71 115.31 118.88 1nkt h LEU 5 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1nkt h LEU 5 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1nkt h LEU 5 CO 0.01 0.00 -0.21 0.25 0.09 0.00 0.00 178.44 178.59 1nkt h LEU 6 N 0.00 -0.49 -0.84 1.67 5.85 -1.29 -1.06 115.31 119.15 1nkt h LEU 6 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1nkt h LEU 6 Cb 0.22 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1nkt h LEU 6 CO 0.00 -0.06 0.09 0.54 -0.34 0.00 0.00 178.44 178.67 1nkt n ARG 7 N -5.17 0.08 0.00 1.25 5.12 -0.31 -0.58 116.66 117.06 1nkt n ARG 7 Ca -0.09 0.56 0.11 0.00 -1.93 0.00 0.00 57.85 56.50 1nkt n ARG 7 Cb 0.27 -1.86 0.02 0.00 -1.16 0.00 0.00 32.46 29.74 1nkt n ARG 7 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1nkt n LEU 8 N -1.94 2.26 -2.74 0.55 4.77 -0.96 -5.01 117.00 113.94 1nkt n LEU 8 Ca -0.01 -0.81 -0.18 0.00 -0.03 0.00 0.00 56.01 54.98 1nkt n LEU 8 Cb 0.11 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1nkt n LEU 8 CO 0.06 0.41 0.15 0.61 -1.33 0.00 0.00 177.39 177.29 1nkt n GLY 9 N 1.40 -0.19 0.12 -0.72 0.00 0.26 -4.96 105.19 101.10 1nkt n GLY 9 Ca 0.10 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1nkt n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nkt n GLU 10 N -3.78 0.68 -2.33 1.61 -0.58 -0.61 -5.03 120.64 110.60 1nkt n GLU 10 Ca -0.01 0.17 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1nkt n GLU 10 Cb 0.55 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1nkt n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nkt n GLY 11 N 1.93 0.16 0.16 0.62 0.00 -1.26 -4.89 105.19 101.92 1nkt n GLY 11 Ca -0.34 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.17 1nkt n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nkt h ARG 12 N -0.24 0.01 -0.27 1.61 1.12 -1.92 -2.94 114.38 111.74 1nkt h ARG 12 Ca -0.18 -0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.69 1nkt h ARG 12 Cb 1.13 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.07 1nkt h ARG 12 CO 0.20 0.49 0.16 1.98 -3.11 0.00 0.00 179.97 179.69 1nkt h MET 13 N 0.01 0.31 -0.96 0.20 4.05 -1.90 0.86 114.93 117.50 1nkt h MET 13 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1nkt h MET 13 Cb 0.86 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.54 1nkt h MET 13 CO 0.06 0.21 0.61 0.28 0.23 0.00 0.00 176.91 178.30 1nkt h VAL 14 N 0.32 1.26 -0.76 -5.77 2.07 -1.93 0.27 116.25 111.71 1nkt h VAL 14 Ca 0.11 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1nkt h VAL 14 Cb -0.00 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.60 1nkt h VAL 14 CO -0.05 0.26 0.40 0.50 0.02 0.00 0.00 177.57 178.70 1nkt h LYS 15 N 1.32 1.06 -0.06 1.57 3.64 -1.15 -0.47 116.57 122.48 1nkt h LYS 15 Ca 0.35 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1nkt h LYS 15 Cb -0.10 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.51 1nkt h LYS 15 CO -0.07 0.79 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.75 1nkt h ARG 16 N 1.07 0.15 -0.70 1.90 9.65 0.33 -2.37 114.38 124.41 1nkt h ARG 16 Ca 0.27 -0.08 0.11 0.00 -1.10 0.00 0.00 59.98 59.18 1nkt h ARG 16 Cb 0.05 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 1nkt h ARG 16 CO -0.04 0.60 0.46 -0.07 2.80 0.00 0.00 179.97 183.72 1nkt h LEU 17 N -0.30 0.45 -0.29 3.80 3.38 -0.31 -1.22 115.31 120.83 1nkt h LEU 17 Ca 0.01 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1nkt h LEU 17 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nkt h LEU 17 CO 0.02 0.26 -0.87 0.50 0.09 0.00 0.00 178.44 178.44 1nkt h LYS 18 N 0.50 0.26 -0.92 1.13 1.63 -0.99 -1.91 116.57 116.27 1nkt h LYS 18 Ca 0.33 -0.27 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 1nkt h LYS 18 Cb 0.60 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.24 1nkt h LYS 18 CO -0.11 0.98 0.59 0.87 -3.45 0.00 0.00 179.45 178.33 1nkt h LYS 19 N 0.15 0.95 0.27 1.90 1.57 -0.70 -0.08 116.57 120.63 1nkt h LYS 19 Ca -0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1nkt h LYS 19 Cb 1.48 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1nkt h LYS 19 CO 0.14 0.63 -0.13 0.28 -0.57 0.00 0.00 179.45 179.80 1nkt h VAL 20 N 0.98 0.74 -0.94 0.50 2.07 -1.18 -1.47 116.25 116.96 1nkt h VAL 20 Ca 0.41 -0.64 0.20 0.00 0.82 0.00 0.00 66.70 67.49 1nkt h VAL 20 Cb 0.31 1.08 -0.11 0.00 -1.52 0.00 0.00 31.29 31.04 1nkt h VAL 20 CO -0.17 0.13 0.51 0.00 0.02 0.00 0.00 177.57 178.05 1nkt h ALA 21 N -0.15 1.54 -0.06 1.67 0.00 -1.14 -0.20 119.26 120.92 1nkt h ALA 21 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nkt h ALA 21 Cb 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nkt h ALA 21 CO 0.06 -0.19 -0.02 -0.44 0.00 0.00 0.00 179.25 178.67 1nkt h ASP 22 N 0.59 0.12 -0.28 0.00 3.32 -0.89 0.89 116.42 120.16 1nkt h ASP 22 Ca 0.56 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 57.30 1nkt h ASP 22 Cb 0.96 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.41 1nkt h ASP 22 CO -0.44 0.47 -0.21 0.22 -1.72 0.00 0.00 179.24 177.56 1nkt h TYR 23 N -0.24 -0.54 -0.97 4.55 3.20 -0.57 -0.27 116.97 122.13 1nkt h TYR 23 Ca 0.01 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.07 1nkt h TYR 23 Cb 0.42 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.88 1nkt h TYR 23 CO 0.06 -0.29 0.61 0.28 -1.64 0.00 0.00 178.16 177.18 1nkt h VAL 24 N -0.19 0.83 -0.63 1.81 2.07 -0.74 0.26 116.25 119.65 1nkt h VAL 24 Ca 0.15 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1nkt h VAL 24 Cb 0.42 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1nkt h VAL 24 CO -0.40 0.15 0.42 1.23 0.02 0.00 0.00 177.57 178.99 1nkt h GLY 25 N 0.82 0.81 2.00 2.17 0.00 0.89 -1.40 103.07 108.35 1nkt h GLY 25 Ca 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1nkt h GLY 25 CO -0.27 0.21 0.00 -1.30 0.00 0.00 0.00 176.54 175.17 1nkt n THR 26 N -4.47 0.85 1.19 4.70 -2.24 0.90 -2.59 114.28 112.62 1nkt n THR 26 Ca 0.09 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1nkt n THR 26 Cb 0.21 -1.11 0.38 0.00 -2.10 0.00 0.00 70.33 67.71 1nkt n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nkt n LEU 27 N -2.08 1.97 -0.07 3.22 4.77 -0.53 -4.50 117.00 119.78 1nkt n LEU 27 Ca 0.02 -0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 1nkt n LEU 27 Cb 0.22 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1nkt n LEU 27 CO 0.19 0.38 0.74 -1.28 -1.33 0.00 0.00 177.39 176.09 1nkt h SER 28 N 2.81 0.39 -0.59 -1.43 0.87 -1.57 -2.81 113.55 111.22 1nkt h SER 28 Ca 0.00 -0.32 0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1nkt h SER 28 Cb 0.61 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 1nkt h SER 28 CO 0.00 0.62 0.21 0.44 -0.53 0.00 0.00 176.83 177.57 1nkt h ASP 29 N 0.15 0.19 -0.93 6.23 5.19 -1.83 -1.24 116.42 124.18 1nkt h ASP 29 Ca 0.06 0.08 0.11 0.00 -0.62 0.00 0.00 57.03 56.65 1nkt h ASP 29 Cb 0.43 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.93 1nkt h ASP 29 CO 0.01 0.12 0.57 0.44 -3.12 0.00 0.00 179.24 177.26 1nkt h ASP 30 N 0.38 0.83 1.11 6.45 3.32 -1.79 -2.17 116.42 124.54 1nkt h ASP 30 Ca 0.30 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 1nkt h ASP 30 Cb 0.36 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1nkt h ASP 30 CO -0.30 0.46 -0.94 -0.37 -1.72 0.00 0.00 179.24 176.36 1nkt h VAL 31 N 0.92 0.46 -0.51 -1.35 -1.51 -1.42 -3.35 116.25 109.49 1nkt h VAL 31 Ca 0.45 -1.77 -0.07 0.00 -1.23 0.00 0.00 66.70 64.08 1nkt h VAL 31 Cb 0.41 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.58 1nkt h VAL 31 CO -0.25 0.26 0.02 -0.33 -1.23 0.00 0.00 177.57 176.04 1nkt h GLU 32 N 0.00 0.84 0.00 5.19 5.08 -0.59 -2.89 114.58 122.21 1nkt h GLU 32 Ca -0.07 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1nkt h GLU 32 Cb 1.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1nkt h GLU 32 CO 0.04 0.83 0.00 0.36 -1.00 0.00 0.00 179.01 179.24 1nkt n LYS 33 N -4.22 0.14 -2.42 2.33 2.85 -1.02 -4.83 118.16 111.00 1nkt n LYS 33 Ca 0.03 0.09 -0.39 0.00 -1.05 0.00 0.00 58.31 56.99 1nkt n LYS 33 Cb 0.29 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.14 1nkt n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1nkt s LEU 34 N -2.82 4.43 0.97 -5.58 1.43 -1.09 -5.05 118.68 110.97 1nkt s LEU 34 Ca 0.16 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1nkt s LEU 34 Cb 0.15 -3.77 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1nkt s LEU 34 CO 0.39 -0.31 1.09 0.42 0.23 0.00 0.00 176.35 178.16 1nkt s THR 35 N -1.27 2.34 0.24 5.49 -4.23 -1.26 -4.84 115.64 112.11 1nkt s THR 35 Ca 0.49 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1nkt s THR 35 Cb -0.31 -2.53 0.20 0.00 1.34 0.00 0.00 72.50 71.20 1nkt s THR 35 CO 0.40 -0.14 1.77 0.44 -0.54 0.00 0.00 174.62 176.55 1nkt h ASP 36 N -1.82 0.46 -0.12 3.99 3.32 -1.98 -1.27 116.42 119.01 1nkt h ASP 36 Ca -0.53 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1nkt h ASP 36 Cb 1.31 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1nkt h ASP 36 CO 0.55 0.24 0.02 0.00 -1.72 0.00 0.00 179.24 178.32 1nkt h ALA 37 N 1.47 0.15 -0.42 3.45 0.00 -1.98 -0.79 119.26 121.16 1nkt h ALA 37 Ca 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1nkt h ALA 37 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nkt h ALA 37 CO -0.30 -0.19 0.28 0.93 0.00 0.00 0.00 179.25 179.97 1nkt h GLU 38 N -0.04 0.51 0.01 0.00 5.08 -1.87 -0.45 114.58 117.82 1nkt h GLU 38 Ca 0.03 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1nkt h GLU 38 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1nkt h GLU 38 CO 0.00 0.34 -0.90 1.25 -1.00 0.00 0.00 179.01 178.70 1nkt h LEU 39 N 0.52 0.29 -1.05 1.33 5.85 -0.93 -2.84 115.31 118.48 1nkt h LEU 39 Ca 0.16 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1nkt h LEU 39 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1nkt h LEU 39 CO -0.04 1.05 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.58 1nkt h ARG 40 N 0.12 0.00 0.00 1.25 9.65 -0.06 -3.05 114.38 122.28 1nkt h ARG 40 Ca -0.05 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 1nkt h ARG 40 Cb 1.54 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.11 1nkt h ARG 40 CO 0.14 0.44 -0.32 0.00 2.80 0.00 0.00 179.97 183.04 1nkt h ALA 41 N 1.56 0.83 -0.93 2.80 0.00 -1.00 -3.26 119.26 119.26 1nkt h ALA 41 Ca -0.00 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.91 1nkt h ALA 41 Cb 0.85 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1nkt h ALA 41 CO 0.06 0.28 0.61 0.87 0.00 0.00 0.00 179.25 181.07 1nkt h LYS 42 N 0.00 0.40 -0.56 0.00 1.79 -1.39 -0.83 116.57 115.98 1nkt h LYS 42 Ca -0.01 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1nkt h LYS 42 Cb 1.17 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 1nkt h LYS 42 CO 0.03 0.26 0.35 1.15 -1.08 0.00 0.00 179.45 180.16 1nkt h THR 43 N 0.41 1.08 -0.03 -0.16 2.02 -1.75 0.25 112.91 114.73 1nkt h THR 43 Ca 0.49 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 67.30 1nkt h THR 43 Cb 1.22 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1nkt h THR 43 CO -0.20 0.13 -0.58 0.44 0.37 0.00 0.00 175.52 175.69 1nkt h ASP 44 N 0.70 0.09 0.04 4.18 3.32 -1.39 -1.64 116.42 121.73 1nkt h ASP 44 Ca 0.22 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1nkt h ASP 44 Cb -0.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1nkt h ASP 44 CO -0.08 0.65 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.98 1nkt h GLU 45 N 0.06 -0.06 -0.73 3.56 4.81 -0.91 -1.23 114.58 120.10 1nkt h GLU 45 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1nkt h GLU 45 Cb 1.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1nkt h GLU 45 CO 0.08 0.01 0.20 0.74 -0.73 0.00 0.00 179.01 179.32 1nkt h PHE 46 N -0.11 1.19 -0.55 0.92 0.04 -0.77 0.10 116.94 117.76 1nkt h PHE 46 Ca -0.01 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 1nkt h PHE 46 Cb 0.09 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 1nkt h PHE 46 CO -0.06 0.95 0.20 0.87 -0.60 0.00 0.00 178.31 179.67 1nkt h LYS 47 N 1.09 0.83 -0.13 1.51 1.57 -1.25 0.18 116.57 120.37 1nkt h LYS 47 Ca 0.23 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1nkt h LYS 47 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1nkt h LYS 47 CO -0.00 0.73 -0.49 0.07 -0.57 0.00 0.00 179.45 179.19 1nkt h ARG 48 N 0.75 0.35 -0.03 3.15 0.11 -0.85 -2.40 114.38 115.47 1nkt h ARG 48 Ca 0.18 -0.20 -0.14 0.00 0.10 0.00 0.00 59.98 59.92 1nkt h ARG 48 Cb 0.23 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.30 1nkt h ARG 48 CO -0.01 0.76 -0.64 0.00 0.10 0.00 0.00 179.97 180.18 1nkt h ARG 49 N 0.28 0.12 0.00 0.08 3.08 -0.49 -2.15 114.38 115.29 1nkt h ARG 49 Ca 0.01 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1nkt h ARG 49 Cb 0.96 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1nkt h ARG 49 CO 0.08 0.72 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.17 1nkt h LEU 50 N 0.08 0.00 0.00 3.04 3.38 -0.46 -3.20 115.31 118.15 1nkt h LEU 50 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nkt h LEU 50 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1nkt h LEU 50 CO 0.09 0.46 -0.89 0.00 0.09 0.00 0.00 178.44 178.19 1nkt n ALA 51 N -2.41 3.00 -1.74 1.53 0.00 -0.92 -4.73 120.51 115.24 1nkt n ALA 51 Ca -0.01 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 1nkt n ALA 51 Cb 0.50 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1nkt n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nkt s ASP 52 N -4.37 5.09 0.00 0.00 -1.08 -0.83 -4.83 116.67 110.66 1nkt s ASP 52 Ca 0.03 1.15 0.19 0.00 -0.52 0.00 0.00 52.55 53.41 1nkt s ASP 52 Cb 0.13 -2.51 0.97 0.00 -1.46 0.00 0.00 42.92 40.05 1nkt s ASP 52 CO 0.77 -2.37 1.59 0.00 0.52 0.00 0.00 175.17 175.68 1nkt n GLN 53 N 8.89 0.28 -0.11 4.34 3.00 -1.26 -3.48 117.38 129.04 1nkt n GLN 53 Ca 0.29 0.10 -0.15 0.00 -0.01 0.00 0.00 57.00 57.24 1nkt n GLN 53 Cb 0.51 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.15 1nkt n GLN 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1nkt n LYS 54 N -1.27 0.55 -3.75 -1.09 2.85 -1.26 -4.68 118.16 109.51 1nkt n LYS 54 Ca 0.09 0.12 -0.33 0.00 -1.05 0.00 0.00 58.31 57.15 1nkt n LYS 54 Cb 0.15 -1.43 -0.09 0.00 -0.65 0.00 0.00 35.03 33.01 1nkt n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1nkt s ASN 55 N -6.08 5.51 0.33 -5.58 0.02 -1.23 -5.08 114.94 102.83 1nkt s ASN 55 Ca -0.29 -3.79 -0.28 0.00 -1.02 0.00 0.00 52.86 47.48 1nkt s ASN 55 Cb 0.07 -1.79 -0.09 0.00 0.02 0.00 0.00 41.25 39.46 1nkt s ASN 55 CO 0.50 -0.14 1.14 -2.84 0.02 0.00 0.00 177.10 175.78 1nkt s PRO 56 N -1.41 4.41 0.00 -0.60 0.02 -1.23 -4.76 135.00 131.43 1nkt s PRO 56 Ca 0.26 1.84 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 1nkt s PRO 56 Cb -0.06 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.48 1nkt s PRO 56 CO -0.14 -0.01 0.08 -1.21 -0.33 0.00 0.00 177.00 175.39 1nkt s GLU 57 N -1.81 0.37 0.47 5.54 2.02 -1.25 -5.10 118.70 118.93 1nkt s GLU 57 Ca 0.49 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.19 1nkt s GLU 57 Cb -0.32 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.07 1nkt s GLU 57 CO 0.41 -0.08 0.44 0.95 0.02 0.00 0.00 175.26 177.00 1nkt s THR 58 N -1.15 2.30 0.21 3.63 -4.23 -1.26 -4.60 115.64 110.54 1nkt s THR 58 Ca -0.12 -1.34 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 1nkt s THR 58 Cb -0.07 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.26 1nkt s THR 58 CO 0.01 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 175.85 1nkt h LEU 59 N 0.84 0.68 -0.59 4.79 3.38 -1.98 -1.65 115.31 120.79 1nkt h LEU 59 Ca -0.39 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.70 1nkt h LEU 59 Cb 1.28 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1nkt h LEU 59 CO 0.55 0.47 0.11 0.44 0.09 0.00 0.00 178.44 180.10 1nkt h ASP 60 N 0.82 -0.03 -0.15 -0.43 3.32 -1.99 0.23 116.42 118.19 1nkt h ASP 60 Ca 0.28 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.47 1nkt h ASP 60 Cb 0.05 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1nkt h ASP 60 CO -0.12 -0.00 0.10 0.44 -1.72 0.00 0.00 179.24 177.94 1nkt h ASP 61 N 0.24 0.06 0.17 6.45 3.32 -1.71 -2.95 116.42 122.01 1nkt h ASP 61 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1nkt h ASP 61 Cb 0.47 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1nkt h ASP 61 CO -0.41 0.04 -0.88 0.18 -1.72 0.00 0.00 179.24 176.45 1nkt n LEU 62 N -4.51 0.81 -0.05 1.55 4.77 -0.08 -4.47 117.00 115.02 1nkt n LEU 62 Ca 0.00 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.56 1nkt n LEU 62 Cb 0.18 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1nkt n LEU 62 CO 0.35 0.20 0.61 0.25 -1.33 0.00 0.00 177.39 177.46 1nkt h LEU 63 N 0.00 -1.23 -0.46 2.23 6.46 -0.46 0.32 115.31 122.17 1nkt h LEU 63 Ca 0.00 0.18 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1nkt h LEU 63 Cb 0.53 0.52 -0.08 0.00 -0.73 0.00 0.00 40.66 40.90 1nkt h LEU 63 CO 0.00 -0.38 -0.04 -0.65 -0.62 0.00 0.00 178.44 176.75 1nkt h PRO 64 N -0.40 0.07 -0.10 5.25 0.11 -1.79 0.35 132.00 135.49 1nkt h PRO 64 Ca 0.11 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1nkt h PRO 64 Cb 0.59 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1nkt h PRO 64 CO -0.45 0.04 -0.32 0.93 -0.21 0.00 0.00 178.00 177.99 1nkt h GLU 65 N 0.07 0.40 -0.65 1.05 5.08 -1.73 -1.14 114.58 117.65 1nkt h GLU 65 Ca 0.23 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1nkt h GLU 65 Cb 0.35 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1nkt h GLU 65 CO -0.42 0.91 0.15 0.00 -1.00 0.00 0.00 179.01 178.66 1nkt h ALA 66 N 0.48 1.03 -0.49 3.43 0.00 -0.19 0.29 119.26 123.82 1nkt h ALA 66 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1nkt h ALA 66 Cb 0.95 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nkt h ALA 66 CO 0.07 0.63 0.22 0.74 0.00 0.00 0.00 179.25 180.91 1nkt h PHE 67 N 0.98 0.71 -0.85 0.00 -1.00 -0.92 0.13 116.94 116.01 1nkt h PHE 67 Ca 0.21 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 1nkt h PHE 67 Cb 0.36 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.66 1nkt h PHE 67 CO 0.03 0.58 0.39 0.00 -1.61 0.00 0.00 178.31 177.69 1nkt h ALA 68 N 1.07 1.10 0.14 2.45 0.00 -0.39 0.11 119.26 123.73 1nkt h ALA 68 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nkt h ALA 68 Cb 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1nkt h ALA 68 CO -0.02 0.67 -0.07 0.28 0.00 0.00 0.00 179.25 180.12 1nkt h VAL 69 N 1.21 0.99 -0.75 0.00 2.07 -0.85 -1.15 116.25 117.77 1nkt h VAL 69 Ca 0.29 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1nkt h VAL 69 Cb 0.14 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1nkt h VAL 69 CO -0.03 0.12 0.49 0.00 0.02 0.00 0.00 177.57 178.17 1nkt h ALA 70 N 0.39 1.55 0.81 1.67 0.00 -0.63 0.69 119.26 123.74 1nkt h ALA 70 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1nkt h ALA 70 Cb 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nkt h ALA 70 CO 0.03 0.38 -0.39 -0.09 0.00 0.00 0.00 179.25 179.19 1nkt h ARG 71 N 0.92 -1.04 -0.93 0.00 2.43 -0.63 -0.25 114.38 114.88 1nkt h ARG 71 Ca 0.29 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.69 1nkt h ARG 71 Cb 0.03 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 29.72 1nkt h ARG 71 CO -0.08 -0.68 0.53 1.49 -1.51 0.00 0.00 179.97 179.72 1nkt h GLU 72 N -1.19 0.72 0.01 0.20 4.57 -1.01 -0.87 114.58 117.01 1nkt h GLU 72 Ca -0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1nkt h GLU 72 Cb 0.84 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1nkt h GLU 72 CO 0.18 0.47 -0.01 0.00 -1.18 0.00 0.00 179.01 178.47 1nkt h ALA 73 N 1.59 -0.02 -0.73 2.92 0.00 -0.54 -0.10 119.26 122.38 1nkt h ALA 73 Ca 0.51 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1nkt h ALA 73 Cb 0.71 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1nkt h ALA 73 CO -0.35 -0.52 0.44 0.00 0.00 0.00 0.00 179.25 178.82 1nkt h ALA 74 N 0.96 0.97 -0.44 0.00 0.00 -0.18 0.30 119.26 120.87 1nkt h ALA 74 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nkt h ALA 74 Cb 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1nkt h ALA 74 CO -0.01 0.18 0.22 2.35 0.00 0.00 0.00 179.25 182.00 1nkt h TRP 75 N 0.84 0.41 -0.26 0.00 -0.00 -0.68 0.37 115.95 116.61 1nkt h TRP 75 Ca 0.31 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 59.08 1nkt h TRP 75 Cb 0.10 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.13 1nkt h TRP 75 CO -0.05 0.21 -0.39 0.00 -0.00 0.00 0.00 178.44 178.21 1nkt h ARG 76 N 0.44 0.61 0.07 2.65 3.08 -0.37 -1.70 114.38 119.17 1nkt h ARG 76 Ca 0.19 -0.31 -0.27 0.00 0.07 0.00 0.00 59.98 59.66 1nkt h ARG 76 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1nkt h ARG 76 CO -0.13 0.90 -1.44 0.28 -1.07 0.00 0.00 179.97 178.51 1nkt h VAL 77 N 0.51 0.92 0.00 2.04 2.07 -0.62 -3.40 116.25 117.77 1nkt h VAL 77 Ca 0.05 -2.30 -0.21 0.00 0.82 0.00 0.00 66.70 65.06 1nkt h VAL 77 Cb 0.90 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1nkt h VAL 77 CO 0.08 0.60 -1.74 0.18 0.02 0.00 0.00 177.57 176.71 1nkt n LEU 78 N -4.04 0.56 -0.54 2.57 4.32 0.13 -4.90 117.00 115.10 1nkt n LEU 78 Ca -0.29 0.25 -0.07 0.00 -0.02 0.00 0.00 56.01 55.88 1nkt n LEU 78 Cb 0.84 0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 42.78 1nkt n LEU 78 CO 0.33 0.23 -0.07 0.47 -1.22 0.00 0.00 177.39 177.13 1nkt n ASP 79 N -2.79 -4.56 -4.07 -1.43 8.00 -0.64 -5.02 116.55 106.04 1nkt n ASP 79 Ca -0.15 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 1nkt n ASP 79 Cb 0.90 -2.68 -0.17 0.00 -0.02 0.00 0.00 41.12 39.16 1nkt n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nkt s GLN 80 N -2.24 2.39 -0.24 -1.24 -2.07 -1.25 -5.00 119.66 110.01 1nkt s GLN 80 Ca 0.00 -0.62 -0.16 0.00 -1.82 0.00 0.00 55.36 52.76 1nkt s GLN 80 Cb 0.00 -2.04 -0.03 0.00 -1.09 0.00 0.00 33.01 29.85 1nkt s GLN 80 CO 0.00 -0.09 0.42 0.50 -1.32 0.00 0.00 175.29 174.80 1nkt s ARG 81 N 1.06 4.09 -0.15 9.60 3.52 -1.26 -3.29 118.95 132.52 1nkt s ARG 81 Ca -0.04 0.19 -0.42 0.00 -0.13 0.00 0.00 55.73 55.33 1nkt s ARG 81 Cb -0.15 -3.61 -0.20 0.00 -1.56 0.00 0.00 34.95 29.44 1nkt s ARG 81 CO -0.04 -0.21 1.27 -2.30 -0.81 0.00 0.00 175.30 173.22 1nkt n PRO 82 N 5.06 0.13 -1.42 5.12 -0.02 -1.26 -4.93 135.00 137.67 1nkt n PRO 82 Ca -0.07 0.05 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 1nkt n PRO 82 Cb 0.51 -1.56 0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1nkt n PRO 82 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1nkt s PHE 83 N 1.04 2.75 0.30 6.00 0.08 -1.26 -4.84 117.98 122.05 1nkt s PHE 83 Ca 0.95 1.51 0.05 0.00 0.12 0.00 0.00 56.93 59.56 1nkt s PHE 83 Cb -1.31 -3.01 0.79 0.00 -0.57 0.00 0.00 43.02 38.92 1nkt s PHE 83 CO 0.64 -1.60 1.68 -0.44 -0.10 0.00 0.00 175.22 175.40 1nkt h ASP 84 N -0.86 0.27 0.56 1.36 5.19 -1.97 0.29 116.42 121.26 1nkt h ASP 84 Ca -0.44 0.17 -0.13 0.00 -0.62 0.00 0.00 57.03 56.02 1nkt h ASP 84 Cb 1.23 0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1nkt h ASP 84 CO 0.53 -0.07 -0.59 -0.37 -3.12 0.00 0.00 179.24 175.62 1nkt h VAL 85 N 0.33 1.42 -0.70 -1.35 -1.51 -1.92 -1.02 116.25 111.51 1nkt h VAL 85 Ca 0.59 -2.03 -0.06 0.00 -1.23 0.00 0.00 66.70 63.97 1nkt h VAL 85 Cb 1.18 2.08 -0.03 0.00 -2.13 0.00 0.00 31.29 32.40 1nkt h VAL 85 CO -0.58 0.58 0.19 1.56 -1.23 0.00 0.00 177.57 178.09 1nkt h GLN 86 N 0.03 1.10 -0.55 5.19 4.20 -0.78 -2.10 115.11 122.19 1nkt h GLN 86 Ca -0.01 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1nkt h GLN 86 Cb 1.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1nkt h GLN 86 CO 0.08 0.96 0.12 0.28 -0.67 0.00 0.00 178.83 179.60 1nkt h VAL 87 N 1.04 1.23 -0.26 -0.54 2.07 -0.83 0.36 116.25 119.32 1nkt h VAL 87 Ca 0.22 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1nkt h VAL 87 Cb 0.34 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1nkt h VAL 87 CO -0.00 0.32 0.13 0.24 0.02 0.00 0.00 177.57 178.28 1nkt h MET 88 N 0.82 0.36 -0.49 1.57 2.86 -1.01 -0.58 114.93 118.46 1nkt h MET 88 Ca 0.18 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1nkt h MET 88 Cb 0.32 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1nkt h MET 88 CO 0.00 0.34 0.32 0.78 1.06 0.00 0.00 176.91 179.41 1nkt h GLY 89 N 0.30 0.69 0.11 8.32 0.00 -0.78 -1.40 103.07 110.30 1nkt h GLY 89 Ca 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 47.26 1nkt h GLY 89 CO -0.01 0.26 -0.05 0.00 0.00 0.00 0.00 176.54 176.73 1nkt h ALA 90 N 1.17 0.41 -0.69 3.60 0.00 0.13 -0.53 119.26 123.35 1nkt h ALA 90 Ca 0.18 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1nkt h ALA 90 Cb -0.07 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1nkt h ALA 90 CO -0.04 -0.41 0.34 0.00 0.00 0.00 0.00 179.25 179.13 1nkt h ALA 91 N 1.46 1.29 -0.33 0.00 0.00 -0.25 -1.67 119.26 119.77 1nkt h ALA 91 Ca 0.25 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1nkt h ALA 91 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nkt h ALA 91 CO -0.45 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.24 1nkt h ALA 92 N 1.39 1.20 -0.26 0.00 0.00 -0.19 -2.02 119.26 119.38 1nkt h ALA 92 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1nkt h ALA 92 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nkt h ALA 92 CO -0.03 0.52 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 1nkt h LEU 93 N 0.52 0.51 -1.77 0.00 3.38 -0.28 -2.27 115.31 115.40 1nkt h LEU 93 Ca 0.10 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.77 1nkt h LEU 93 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1nkt h LEU 93 CO 0.03 0.77 0.31 -0.74 0.09 0.00 0.00 178.44 178.90 1nkt h HIS 94 N 0.25 0.29 -0.06 1.13 2.76 -0.92 0.30 115.15 118.90 1nkt h HIS 94 Ca 0.06 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1nkt h HIS 94 Cb 0.55 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1nkt h HIS 94 CO 0.05 0.15 0.00 1.28 -1.30 0.00 0.00 177.93 178.11 1nkt n LEU 95 N -4.47 0.50 -1.97 0.26 4.77 -0.80 -4.91 117.00 110.38 1nkt n LEU 95 Ca 0.07 -0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 1nkt n LEU 95 Cb 0.33 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1nkt n LEU 95 CO 0.35 0.11 0.12 0.61 -1.33 0.00 0.00 177.39 177.24 1nkt n GLY 96 N 0.84 0.24 3.75 -0.72 0.00 0.09 -5.06 105.19 104.33 1nkt n GLY 96 Ca 0.12 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1nkt n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nkt s ASN 97 N -3.17 4.40 -0.16 1.61 0.01 -0.88 -4.51 114.94 112.24 1nkt s ASN 97 Ca 0.27 -1.14 -0.25 0.00 -0.71 0.00 0.00 52.86 51.03 1nkt s ASN 97 Cb -0.12 -0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.18 1nkt s ASN 97 CO 0.34 -0.60 0.80 -0.69 -1.51 0.00 0.00 177.10 175.44 1nkt s VAL 98 N -2.63 4.91 -0.43 1.60 1.01 0.53 -2.81 120.40 122.58 1nkt s VAL 98 Ca 0.38 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.73 1nkt s VAL 98 Cb 0.04 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1nkt s VAL 98 CO 0.21 0.05 0.68 0.00 0.00 0.00 0.00 175.10 176.04 1nkt s ALA 99 N 2.00 3.35 -0.53 5.51 0.00 0.04 -1.33 121.76 130.80 1nkt s ALA 99 Ca 0.37 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 1nkt s ALA 99 Cb -0.17 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1nkt s ALA 99 CO 0.13 -1.74 1.09 -2.00 0.00 0.00 0.00 175.76 173.24 1nkt s GLU 100 N 2.92 3.54 -0.12 0.00 2.12 0.45 -2.96 118.70 124.66 1nkt s GLU 100 Ca 0.25 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.82 1nkt s GLU 100 Cb -0.14 -3.98 0.02 0.00 0.26 0.00 0.00 34.13 30.29 1nkt s GLU 100 CO 0.19 -1.50 -0.15 -1.64 -0.54 0.00 0.00 175.26 171.63 1nkt s MET 101 N 4.46 2.21 0.84 4.30 -1.94 0.20 -1.46 119.30 127.90 1nkt s MET 101 Ca 0.41 -0.55 -0.14 0.00 -1.71 0.00 0.00 55.69 53.71 1nkt s MET 101 Cb -0.09 -1.91 0.05 0.00 2.01 0.00 0.00 34.83 34.89 1nkt s MET 101 CO 0.26 -0.10 0.82 1.63 -0.01 0.00 0.00 175.02 177.62 1nkt n LYS 102 N 4.32 0.03 -1.62 2.03 4.76 -1.26 -3.02 118.16 123.41 1nkt n LYS 102 Ca -0.18 0.07 -0.48 0.00 -2.87 0.00 0.00 58.31 54.85 1nkt n LYS 102 Cb 0.51 -2.13 -0.04 0.00 -1.84 0.00 0.00 35.03 31.53 1nkt n LYS 102 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1nkt n THR 103 N -3.24 0.61 -0.72 -0.18 -1.04 -1.26 -1.71 114.28 106.75 1nkt n THR 103 Ca 0.11 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1nkt n THR 103 Cb 0.51 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1nkt n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nkt n GLY 104 N 2.33 0.74 0.06 3.41 0.00 -1.26 -4.70 105.19 105.78 1nkt n GLY 104 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1nkt n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nkt n GLU 105 N -2.38 0.19 -0.67 1.61 -0.58 -0.69 -4.61 120.64 113.51 1nkt n GLU 105 Ca 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1nkt n GLU 105 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1nkt n GLU 105 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nkt n GLY 106 N 1.37 0.80 0.20 0.62 0.00 -1.26 -4.84 105.19 102.08 1nkt n GLY 106 Ca 0.05 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 1nkt n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt h LYS 107 N 0.00 0.66 -0.43 1.61 1.57 -1.93 -2.36 116.57 115.69 1nkt h LYS 107 Ca 0.00 -0.60 0.07 0.00 -1.87 0.00 0.00 60.65 58.25 1nkt h LYS 107 Cb 0.45 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1nkt h LYS 107 CO 0.00 1.21 0.08 1.15 -0.57 0.00 0.00 179.45 181.32 1nkt h THR 108 N 0.42 0.76 -0.30 -0.16 2.02 -2.00 -2.49 112.91 111.16 1nkt h THR 108 Ca -0.07 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1nkt h THR 108 Cb 1.49 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1nkt h THR 108 CO 0.17 0.04 -0.02 0.25 0.37 0.00 0.00 175.52 176.32 1nkt h LEU 109 N 0.20 0.54 -0.77 2.58 5.85 -1.97 -3.25 115.31 118.49 1nkt h LEU 109 Ca 0.21 -0.33 0.18 0.00 0.84 0.00 0.00 57.88 58.78 1nkt h LEU 109 Cb 0.27 -0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.04 1nkt h LEU 109 CO -0.29 0.73 0.17 0.74 -0.34 0.00 0.00 178.44 179.45 1nkt h THR 110 N 0.33 0.45 -0.53 1.05 2.02 -1.00 -0.54 112.91 114.69 1nkt h THR 110 Ca 0.08 -0.08 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1nkt h THR 110 Cb 0.47 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1nkt h THR 110 CO 0.02 0.04 0.41 0.00 0.37 0.00 0.00 175.52 176.36 1nkt h VAL 112 N 0.00 1.24 0.60 0.00 2.07 -1.22 -2.38 116.25 116.56 1nkt h VAL 112 Ca 0.25 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1nkt h VAL 112 Cb 1.07 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1nkt h VAL 112 CO -0.00 0.35 -0.29 -0.07 0.02 0.00 0.00 177.57 177.58 1nkt h LEU 113 N 0.76 -0.68 -1.47 2.57 4.07 -1.72 0.68 115.31 119.51 1nkt h LEU 113 Ca 0.15 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 1nkt h LEU 113 Cb 0.44 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 1nkt h LEU 113 CO 0.02 -0.36 -0.27 1.55 -1.08 0.00 0.00 178.44 178.30 1nkt h PRO 114 N -1.02 0.00 0.06 1.13 0.13 -1.76 0.04 132.00 130.58 1nkt h PRO 114 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1nkt h PRO 114 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1nkt h PRO 114 CO 0.14 0.27 -0.03 0.00 -0.23 0.00 0.00 178.00 178.15 1nkt h ALA 115 N 1.73 -0.07 -0.19 -0.56 0.00 -1.33 -0.81 119.26 118.02 1nkt h ALA 115 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1nkt h ALA 115 Cb 0.53 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1nkt h ALA 115 CO 0.04 -0.36 -0.43 -0.92 0.00 0.00 0.00 179.25 177.57 1nkt h TYR 116 N -0.44 -1.26 -0.04 0.00 3.20 -0.55 -0.71 116.97 117.17 1nkt h TYR 116 Ca -0.01 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1nkt h TYR 116 Cb 0.39 0.58 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1nkt h TYR 116 CO 0.05 -0.48 -0.15 1.25 -1.64 0.00 0.00 178.16 177.20 1nkt h LEU 117 N -0.46 -0.43 -1.19 2.82 5.85 -0.97 -2.36 115.31 118.57 1nkt h LEU 117 Ca 0.08 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1nkt h LEU 117 Cb 0.62 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1nkt h LEU 117 CO -0.44 -0.20 -0.21 0.78 -0.34 0.00 0.00 178.44 178.03 1nkt h ASN 118 N -0.22 0.00 0.21 1.25 4.21 -1.11 -2.95 115.58 116.97 1nkt h ASN 118 Ca 0.06 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.43 1nkt h ASN 118 Cb 0.31 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 1nkt h ASN 118 CO -0.17 0.21 -0.55 0.00 -1.29 0.00 0.00 177.43 175.63 1nkt h ALA 119 N 1.79 0.84 -1.24 -0.83 0.00 -0.71 -2.74 119.26 116.37 1nkt h ALA 119 Ca -0.00 -0.51 0.36 0.00 0.00 0.00 0.00 54.91 54.76 1nkt h ALA 119 Cb 0.71 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1nkt h ALA 119 CO 0.03 0.69 0.83 -0.07 0.00 0.00 0.00 179.25 180.73 1nkt h LEU 120 N 0.28 0.22 0.00 0.00 3.38 -1.25 0.32 115.31 118.26 1nkt h LEU 120 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nkt h LEU 120 Cb 1.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nkt h LEU 120 CO 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1nkt n ALA 121 N -2.61 1.67 -0.99 1.53 0.00 -1.03 -4.82 120.51 114.26 1nkt n ALA 121 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1nkt n ALA 121 Cb 1.23 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1nkt n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 122 N -0.16 0.62 0.03 0.00 0.00 0.11 -4.95 105.19 100.85 1nkt n GLY 122 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1nkt n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nkt n ASN 123 N -0.05 0.86 0.00 1.61 4.13 -1.26 -5.07 115.26 115.48 1nkt n ASN 123 Ca 0.00 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.52 1nkt n ASN 123 Cb 0.03 0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.92 1nkt n ASN 123 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nkt n GLY 124 N 1.49 2.25 2.81 7.41 0.00 -1.26 -4.82 105.19 113.08 1nkt n GLY 124 Ca 0.05 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 1nkt n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkt s VAL 125 N -1.68 0.27 -0.26 1.61 1.01 -1.00 -4.09 120.40 116.25 1nkt s VAL 125 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1nkt s VAL 125 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1nkt s VAL 125 CO 0.00 0.19 0.14 -1.00 0.00 0.00 0.00 175.10 174.43 1nkt s HIS 126 N 1.26 3.19 -0.21 5.22 3.76 0.61 -0.45 115.29 128.67 1nkt s HIS 126 Ca -0.06 -0.04 -0.09 0.00 -0.15 0.00 0.00 55.06 54.72 1nkt s HIS 126 Cb -0.13 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 1nkt s HIS 126 CO -0.02 -0.18 0.10 0.42 -0.85 0.00 0.00 174.74 174.21 1nkt s ILE 127 N 1.57 4.97 -0.17 0.60 -1.09 0.25 -0.88 121.20 126.45 1nkt s ILE 127 Ca 0.07 0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1nkt s ILE 127 Cb -0.15 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1nkt s ILE 127 CO 0.08 0.41 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.44 1nkt s VAL 128 N 0.72 3.46 0.18 2.92 1.01 0.11 -1.56 120.40 127.24 1nkt s VAL 128 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1nkt s VAL 128 Cb -0.13 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1nkt s VAL 128 CO 0.02 0.48 0.00 0.35 0.00 0.00 0.00 175.10 175.94 1nkt n THR 129 N 3.98 0.00 0.01 3.92 -2.24 -0.72 0.05 114.28 119.27 1nkt n THR 129 Ca -0.18 -0.85 0.04 0.00 -2.27 0.00 0.00 64.05 60.80 1nkt n THR 129 Cb 0.52 0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.82 1nkt n THR 129 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1nkt n VAL 130 N -0.45 0.71 -4.01 2.28 3.14 -1.26 -4.04 118.33 114.70 1nkt n VAL 130 Ca -0.07 -0.63 -0.09 0.00 -2.96 0.00 0.00 64.34 60.59 1nkt n VAL 130 Cb 0.23 -0.37 -0.06 0.00 -1.06 0.00 0.00 33.84 32.58 1nkt n VAL 130 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1nkt s ASN 131 N -5.23 -0.07 0.21 6.55 2.20 -1.26 -4.94 114.94 112.41 1nkt s ASN 131 Ca -0.05 -0.97 -0.09 0.00 -0.94 0.00 0.00 52.86 50.81 1nkt s ASN 131 Cb 0.10 0.57 0.21 0.00 -2.00 0.00 0.00 41.25 40.13 1nkt s ASN 131 CO 0.84 -1.12 1.86 0.44 -2.94 0.00 0.00 177.10 176.18 1nkt h ASP 132 N 2.28 0.78 -0.56 3.54 5.19 -1.94 -0.52 116.42 125.18 1nkt h ASP 132 Ca -0.27 -0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.20 1nkt h ASP 132 Cb 1.25 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1nkt h ASP 132 CO 0.37 0.54 0.27 0.22 -3.12 0.00 0.00 179.24 177.52 1nkt h TYR 133 N 0.93 0.49 -0.19 4.55 3.20 -1.99 -1.17 116.97 122.79 1nkt h TYR 133 Ca 0.30 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 62.01 1nkt h TYR 133 Cb 0.01 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1nkt h TYR 133 CO -0.03 0.22 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.03 1nkt h LEU 134 N 0.51 0.72 -0.10 2.82 3.38 -1.79 0.21 115.31 121.06 1nkt h LEU 134 Ca 0.26 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1nkt h LEU 134 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nkt h LEU 134 CO -0.20 1.15 0.05 0.00 0.09 0.00 0.00 178.44 179.53 1nkt h ALA 135 N 0.86 0.13 -0.24 1.53 0.00 -0.83 0.29 119.26 121.00 1nkt h ALA 135 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nkt h ALA 135 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nkt h ALA 135 CO 0.12 -0.31 0.15 -0.22 0.00 0.00 0.00 179.25 178.99 1nkt h LYS 136 N 0.04 0.32 -0.02 0.00 3.64 -1.21 -2.01 116.57 117.33 1nkt h LYS 136 Ca 0.03 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1nkt h LYS 136 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nkt h LYS 136 CO -0.00 0.23 -0.27 0.07 -2.27 0.00 0.00 179.45 177.20 1nkt h ARG 137 N 0.32 0.04 -0.01 1.90 -0.00 -0.72 -1.83 114.38 114.08 1nkt h ARG 137 Ca 0.09 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 60.01 1nkt h ARG 137 Cb -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1nkt h ARG 137 CO -0.02 0.31 -0.19 -0.44 -0.00 0.00 0.00 179.97 179.63 1nkt h ASP 138 N 0.03 0.18 -0.99 0.08 3.32 -0.79 -1.13 116.42 117.13 1nkt h ASP 138 Ca 0.00 -0.74 0.14 0.00 0.02 0.00 0.00 57.03 56.46 1nkt h ASP 138 Cb 0.50 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 1nkt h ASP 138 CO 0.04 0.90 0.62 0.77 -1.72 0.00 0.00 179.24 179.84 1nkt h SER 139 N -0.51 0.85 1.50 6.45 4.64 -1.35 0.24 113.55 125.38 1nkt h SER 139 Ca -0.02 0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1nkt h SER 139 Cb 0.91 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1nkt h SER 139 CO 0.04 0.41 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.56 1nkt h GLU 140 N 0.88 0.00 0.00 4.77 5.08 -1.26 -1.41 114.58 122.65 1nkt h GLU 140 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1nkt h GLU 140 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1nkt h GLU 140 CO -0.29 0.36 -0.23 2.35 -1.00 0.00 0.00 179.01 180.20 1nkt h TRP 141 N 0.00 0.00 0.00 4.33 7.01 -0.45 -3.31 115.95 123.54 1nkt h TRP 141 Ca -0.02 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 1nkt h TRP 141 Cb 1.31 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 1nkt h TRP 141 CO 0.00 0.00 -0.26 0.52 -2.79 0.00 0.00 178.44 175.91 1nkt h MET 142 N -0.52 0.00 -0.39 2.65 2.86 -0.74 -2.25 114.93 116.54 1nkt h MET 142 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1nkt h MET 142 Cb 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1nkt h MET 142 CO 0.00 0.26 0.36 0.78 1.06 0.00 0.00 176.91 179.37 1nkt h GLY 143 N 1.09 0.00 1.03 8.32 0.00 -1.23 0.16 103.07 112.43 1nkt h GLY 143 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1nkt h GLY 143 CO 0.03 0.00 0.40 3.21 0.00 0.00 0.00 176.54 180.18 1nkt h ARG 144 N 0.00 1.16 0.40 4.80 3.08 -1.48 0.26 114.38 122.60 1nkt h ARG 144 Ca 0.18 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1nkt h ARG 144 Cb 0.90 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1nkt h ARG 144 CO -0.00 0.89 -0.19 0.28 -1.07 0.00 0.00 179.97 179.87 1nkt h VAL 145 N 1.14 0.50 -0.74 2.04 2.07 -0.85 -2.28 116.25 118.13 1nkt h VAL 145 Ca 0.28 -0.54 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1nkt h VAL 145 Cb 0.10 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1nkt h VAL 145 CO -0.04 0.08 0.34 0.45 0.02 0.00 0.00 177.57 178.43 1nkt h HIS 146 N -0.89 0.60 -0.83 1.57 3.86 -1.51 -1.78 115.15 116.16 1nkt h HIS 146 Ca -0.06 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1nkt h HIS 146 Cb 0.55 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1nkt h HIS 146 CO 0.02 0.15 0.55 0.00 0.86 0.00 0.00 177.93 179.51 1nkt h ARG 147 N 0.54 1.08 -0.14 2.45 3.08 -0.93 -0.25 114.38 120.21 1nkt h ARG 147 Ca 0.39 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.41 1nkt h ARG 147 Cb 0.51 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1nkt h ARG 147 CO -0.33 0.72 0.11 0.35 -1.07 0.00 0.00 179.97 179.74 1nkt h PHE 148 N 1.12 0.00 -0.58 3.04 3.04 -0.72 -1.33 116.94 121.50 1nkt h PHE 148 Ca 0.31 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1nkt h PHE 148 Cb -0.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.40 1nkt h PHE 148 CO -0.02 0.00 0.00 1.28 -2.02 0.00 0.00 178.31 177.55 1nkt n LEU 149 N -4.29 4.08 0.00 0.59 4.77 -0.18 -4.63 117.00 117.34 1nkt n LEU 149 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1nkt n LEU 149 Cb 0.23 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1nkt n LEU 149 CO 0.33 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1nkt n GLY 150 N 1.11 0.83 3.86 -0.72 0.00 -0.50 -4.69 105.19 105.08 1nkt n GLY 150 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1nkt n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkt s LEU 151 N 0.00 3.74 -0.12 0.99 1.43 -0.76 -4.99 118.68 118.96 1nkt s LEU 151 Ca 0.00 1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 54.36 1nkt s LEU 151 Cb 0.00 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 1nkt s LEU 151 CO 0.00 -0.48 0.13 -1.10 0.23 0.00 0.00 176.35 175.13 1nkt s GLN 152 N -3.94 3.47 -0.12 1.70 -1.52 -1.26 -3.96 119.66 114.04 1nkt s GLN 152 Ca 0.55 -0.16 0.02 0.00 -1.95 0.00 0.00 55.36 53.82 1nkt s GLN 152 Cb -0.10 -3.18 -0.00 0.00 -0.22 0.00 0.00 33.01 29.51 1nkt s GLN 152 CO 0.31 0.73 -0.19 0.08 -0.25 0.00 0.00 175.29 175.97 1nkt s VAL 153 N -0.90 2.43 0.29 1.09 1.01 -1.26 0.64 120.40 123.71 1nkt s VAL 153 Ca 0.14 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1nkt s VAL 153 Cb -0.12 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1nkt s VAL 153 CO 0.03 0.54 -0.08 -0.83 0.00 0.00 0.00 175.10 174.76 1nkt s GLY 154 N 0.45 1.87 0.03 4.51 0.00 0.58 -4.97 107.32 109.79 1nkt s GLY 154 Ca -0.14 -1.83 0.07 0.00 0.00 0.00 0.00 44.72 42.81 1nkt s GLY 154 CO 0.06 -1.87 -0.19 0.14 0.00 0.00 0.00 173.10 171.23 1nkt s VAL 155 N -2.46 1.55 -0.11 1.40 1.01 -1.26 -0.73 120.40 119.80 1nkt s VAL 155 Ca 0.32 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1nkt s VAL 155 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1nkt s VAL 155 CO 0.18 0.24 0.07 0.27 0.00 0.00 0.00 175.10 175.86 1nkt s ILE 156 N -0.71 4.93 0.17 2.22 -4.36 0.40 -4.86 121.20 118.99 1nkt s ILE 156 Ca 0.07 -0.01 0.05 0.00 -0.26 0.00 0.00 60.65 60.50 1nkt s ILE 156 Cb -0.08 -3.13 -0.05 0.00 1.25 0.00 0.00 42.46 40.45 1nkt s ILE 156 CO 0.01 0.59 -0.08 -0.76 0.24 0.00 0.00 174.94 174.94 1nkt s LEU 157 N -0.80 2.46 0.47 0.37 1.43 -1.26 -4.52 118.68 116.82 1nkt s LEU 157 Ca 0.13 -1.06 0.16 0.00 -1.03 0.00 0.00 54.13 52.33 1nkt s LEU 157 Cb -0.12 -0.37 1.13 0.00 0.03 0.00 0.00 46.19 46.86 1nkt s LEU 157 CO 0.03 -0.35 2.01 0.00 0.23 0.00 0.00 176.35 178.27 1nkt h ALA 158 N 2.69 2.09 0.00 4.21 0.00 -1.99 -2.53 119.26 123.72 1nkt h ALA 158 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1nkt h ALA 158 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nkt h ALA 158 CO 0.64 -0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1nkt n THR 159 N -4.46 0.12 -2.82 0.00 -2.24 -1.26 -4.93 114.28 98.69 1nkt n THR 159 Ca 0.07 0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 1nkt n THR 159 Cb 0.35 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 1nkt n THR 159 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1nkt s MET 160 N -2.74 4.14 0.73 -0.78 -1.94 -0.96 -5.04 119.30 112.72 1nkt s MET 160 Ca 0.21 1.00 -0.12 0.00 -1.71 0.00 0.00 55.69 55.07 1nkt s MET 160 Cb 0.18 -2.23 0.03 0.00 2.01 0.00 0.00 34.83 34.83 1nkt s MET 160 CO 0.45 -0.03 1.12 0.95 -0.01 0.00 0.00 175.02 177.50 1nkt s THR 161 N -2.21 3.09 0.25 2.05 -4.23 -1.26 -4.84 115.64 108.49 1nkt s THR 161 Ca 0.60 0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 61.42 1nkt s THR 161 Cb -0.09 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.63 1nkt s THR 161 CO 0.17 -0.46 1.86 -0.65 -0.54 0.00 0.00 174.62 174.99 1nkt h PRO 162 N -0.76 1.00 -1.01 3.99 0.11 -1.97 -0.41 132.00 132.95 1nkt h PRO 162 Ca -0.45 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1nkt h PRO 162 Cb 1.27 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1nkt h PRO 162 CO 0.64 0.66 0.65 -0.44 -0.21 0.00 0.00 178.00 179.31 1nkt h ASP 163 N 1.03 1.07 -0.13 -2.05 5.19 -1.95 -0.27 116.42 119.30 1nkt h ASP 163 Ca 0.39 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.69 1nkt h ASP 163 Cb 0.17 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1nkt h ASP 163 CO -0.17 0.70 -0.35 -0.33 -3.12 0.00 0.00 179.24 175.97 1nkt h GLU 164 N 1.22 0.47 -0.44 3.56 5.08 -1.79 -2.81 114.58 119.87 1nkt h GLU 164 Ca 0.42 -0.33 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1nkt h GLU 164 Cb 0.10 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 1nkt h GLU 164 CO -0.15 0.94 -0.23 0.00 -1.00 0.00 0.00 179.01 178.57 1nkt h ARG 165 N 0.08 -0.14 -0.84 2.33 3.08 -0.79 -2.17 114.38 115.92 1nkt h ARG 165 Ca -0.01 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1nkt h ARG 165 Cb 0.96 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.97 1nkt h ARG 165 CO 0.08 -0.09 0.50 -0.09 -1.07 0.00 0.00 179.97 179.30 1nkt h ARG 166 N -0.14 0.86 -0.73 0.04 2.43 -0.84 0.09 114.38 116.09 1nkt h ARG 166 Ca 0.21 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1nkt h ARG 166 Cb 0.47 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1nkt h ARG 166 CO -0.52 0.57 0.39 0.28 -1.51 0.00 0.00 179.97 179.18 1nkt h VAL 167 N 0.89 1.22 -0.45 0.20 2.07 -1.19 -1.32 116.25 117.68 1nkt h VAL 167 Ca 0.38 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1nkt h VAL 167 Cb 0.25 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1nkt h VAL 167 CO -0.20 0.25 -0.27 0.00 0.02 0.00 0.00 177.57 177.37 1nkt h ALA 168 N 1.20 0.63 0.00 1.67 0.00 -0.45 -1.85 119.26 120.46 1nkt h ALA 168 Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1nkt h ALA 168 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nkt h ALA 168 CO -0.04 0.66 -0.12 1.88 0.00 0.00 0.00 179.25 181.63 1nkt h TYR 169 N 0.81 0.00 0.00 0.00 0.05 -0.94 -2.62 116.97 114.27 1nkt h TYR 169 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1nkt h TYR 169 Cb 0.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1nkt h TYR 169 CO 0.06 0.12 -0.21 -0.91 -1.05 0.00 0.00 178.16 176.16 1nkt h ASN 170 N 0.00 0.00 -3.40 3.88 2.35 -0.45 -3.45 115.58 114.51 1nkt h ASN 170 Ca -0.00 -0.01 -0.49 0.00 -0.55 0.00 0.00 56.30 55.25 1nkt h ASN 170 Cb 0.48 0.00 0.22 0.00 0.05 0.00 0.00 38.32 39.07 1nkt h ASN 170 CO 0.02 0.00 -0.30 0.00 -1.65 0.00 0.00 177.43 175.50 1nkt n ALA 171 N -2.07 -2.47 0.01 -0.83 0.00 -0.85 -4.94 120.51 109.36 1nkt n ALA 171 Ca 0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1nkt n ALA 171 Cb 0.52 -1.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1nkt n ALA 171 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nkt h ASP 172 N -2.05 0.69 -4.35 0.00 3.32 -0.10 -3.44 116.42 110.49 1nkt h ASP 172 Ca -0.50 -0.43 -0.57 0.00 0.02 0.00 0.00 57.03 55.56 1nkt h ASP 172 Cb 1.31 -0.20 -0.29 0.00 0.22 0.00 0.00 39.33 40.36 1nkt h ASP 172 CO 0.41 1.19 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.64 1nkt s ILE 173 N -3.78 1.47 -0.08 0.35 1.01 -0.92 -2.37 121.20 116.88 1nkt s ILE 173 Ca -0.08 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1nkt s ILE 173 Cb 0.10 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.36 1nkt s ILE 173 CO 0.86 0.39 -0.03 -0.89 0.00 0.00 0.00 174.94 175.27 1nkt s THR 174 N -0.47 0.61 0.13 2.92 2.01 0.41 -0.30 115.64 120.95 1nkt s THR 174 Ca 0.07 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 1nkt s THR 174 Cb -0.07 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.68 1nkt s THR 174 CO -0.01 0.28 0.46 -0.31 -0.69 0.00 0.00 174.62 174.36 1nkt s TYR 175 N 1.61 3.54 0.00 4.92 1.51 0.09 -0.58 117.35 128.45 1nkt s TYR 175 Ca 0.01 0.84 0.00 0.00 -1.01 0.00 0.00 57.07 56.90 1nkt s TYR 175 Cb -0.13 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1nkt s TYR 175 CO -0.04 0.43 0.00 0.41 -1.11 0.00 0.00 175.55 175.24 1nkt n GLY 176 N 0.55 -0.37 3.92 0.71 0.00 -0.60 -0.46 105.19 108.95 1nkt n GLY 176 Ca -0.05 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1nkt n GLY 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nkt s THR 177 N -2.00 3.86 0.29 2.61 -4.23 -1.26 -1.76 115.64 113.15 1nkt s THR 177 Ca 0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1nkt s THR 177 Cb 0.00 -3.50 0.27 0.00 1.34 0.00 0.00 72.50 70.61 1nkt s THR 177 CO 0.00 -0.48 1.93 -0.55 -0.54 0.00 0.00 174.62 174.99 1nkt h ASN 178 N -0.00 0.97 -0.23 3.99 7.08 -1.93 -1.28 115.58 124.18 1nkt h ASN 178 Ca -0.46 -0.01 0.06 0.00 -3.08 0.00 0.00 56.30 52.81 1nkt h ASN 178 Cb 1.25 -0.22 -0.07 0.00 -2.08 0.00 0.00 38.32 37.19 1nkt h ASN 178 CO 0.60 0.67 -0.29 -1.13 -2.08 0.00 0.00 177.43 175.20 1nkt h ASN 179 N 1.13 -0.92 -0.13 6.14 -1.24 -1.94 -1.09 115.58 117.54 1nkt h ASN 179 Ca 0.36 0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.49 1nkt h ASN 179 Cb 0.02 0.42 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 1nkt h ASN 179 CO -0.11 -0.32 -0.05 -0.33 -1.29 0.00 0.00 177.43 175.34 1nkt h GLU 180 N -0.30 0.26 -0.52 6.67 4.39 -1.80 -1.04 114.58 122.23 1nkt h GLU 180 Ca 0.13 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1nkt h GLU 180 Cb 0.51 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1nkt h GLU 180 CO -0.41 0.58 0.28 0.74 -1.16 0.00 0.00 179.01 179.05 1nkt h PHE 181 N -0.08 0.71 -0.21 4.33 0.04 -1.20 -1.01 116.94 119.53 1nkt h PHE 181 Ca 0.03 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 1nkt h PHE 181 Cb 0.50 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1nkt h PHE 181 CO 0.06 0.52 -0.51 0.78 -0.60 0.00 0.00 178.31 178.57 1nkt h GLY 182 N 0.69 0.62 1.83 -1.45 0.00 -1.22 -2.57 103.07 100.97 1nkt h GLY 182 Ca 0.18 -0.69 -0.21 0.00 0.00 0.00 0.00 47.33 46.60 1nkt h GLY 182 CO -0.03 0.62 -0.98 0.74 0.00 0.00 0.00 176.54 176.89 1nkt h PHE 183 N 0.45 0.22 -0.94 5.60 0.04 -0.99 -1.99 116.94 119.34 1nkt h PHE 183 Ca 0.02 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.67 1nkt h PHE 183 Cb 1.04 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.12 1nkt h PHE 183 CO 0.04 1.03 0.62 -0.44 -0.60 0.00 0.00 178.31 178.96 1nkt h ASP 184 N 0.06 1.04 -0.61 2.17 3.32 -1.18 0.32 116.42 121.53 1nkt h ASP 184 Ca -0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1nkt h ASP 184 Cb 1.67 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.95 1nkt h ASP 184 CO 0.15 0.73 0.28 0.22 -1.72 0.00 0.00 179.24 178.89 1nkt h TYR 185 N 1.22 0.90 -0.42 4.55 3.20 -1.27 -0.30 116.97 124.84 1nkt h TYR 185 Ca 0.36 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 1nkt h TYR 185 Cb -0.06 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1nkt h TYR 185 CO -0.00 0.69 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.00 1nkt h LEU 186 N 0.84 0.86 -0.52 2.82 3.38 -0.56 -2.54 115.31 119.59 1nkt h LEU 186 Ca 0.21 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1nkt h LEU 186 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1nkt h LEU 186 CO -0.02 1.04 0.20 0.03 0.09 0.00 0.00 178.44 179.77 1nkt h ARG 187 N 0.66 0.78 -0.83 1.13 3.08 -0.86 -2.27 114.38 116.09 1nkt h ARG 187 Ca 0.10 -0.15 0.11 0.00 0.07 0.00 0.00 59.98 60.12 1nkt h ARG 187 Cb 0.69 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1nkt h ARG 187 CO 0.05 0.70 0.54 -0.44 -1.07 0.00 0.00 179.97 179.74 1nkt h ASP 188 N 0.70 0.65 -0.11 7.04 3.32 -0.87 0.26 116.42 127.41 1nkt h ASP 188 Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1nkt h ASP 188 Cb 0.22 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1nkt h ASP 188 CO -0.01 0.37 0.00 0.59 -1.72 0.00 0.00 179.24 178.46 1nkt n ASN 189 N -4.52 1.37 -0.00 6.45 3.02 -0.90 -2.53 115.26 118.15 1nkt n ASN 189 Ca 0.15 -1.60 0.07 0.00 -0.03 0.00 0.00 54.58 53.17 1nkt n ASN 189 Cb 0.38 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.39 1nkt n ASN 189 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nkt n MET 190 N 0.10 1.45 -1.69 3.52 2.81 0.69 -4.95 117.12 119.05 1nkt n MET 190 Ca 0.17 -0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.61 1nkt n MET 190 Cb 0.30 -1.27 0.03 0.00 -0.71 0.00 0.00 33.22 31.56 1nkt n MET 190 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nkt n ALA 191 N -1.59 1.12 1.06 3.04 0.00 0.06 -4.93 120.51 119.26 1nkt n ALA 191 Ca 0.01 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1nkt n ALA 191 Cb 0.30 -2.26 0.10 0.00 0.00 0.00 0.00 19.45 17.59 1nkt n ALA 191 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nkt n HIS 192 N -0.79 0.00 -3.71 0.00 8.25 -1.26 -4.91 115.22 112.80 1nkt n HIS 192 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1nkt n HIS 192 Cb 0.43 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.43 1nkt n HIS 192 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nkt s SER 193 N -2.30 -0.45 0.37 0.41 0.15 -1.26 -4.98 113.70 105.64 1nkt s SER 193 Ca 0.23 0.82 0.08 0.00 0.70 0.00 0.00 55.95 57.79 1nkt s SER 193 Cb 0.19 0.85 0.81 0.00 -1.71 0.00 0.00 66.02 66.16 1nkt s SER 193 CO 0.47 -0.20 1.94 0.25 1.20 0.00 0.00 173.24 176.89 1nkt h LEU 194 N 5.17 0.61 -1.55 3.45 5.85 -1.91 0.14 115.31 127.06 1nkt h LEU 194 Ca -0.27 0.01 0.42 0.00 0.84 0.00 0.00 57.88 58.88 1nkt h LEU 194 Cb 1.18 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.98 1nkt h LEU 194 CO 0.24 0.37 0.91 0.44 -0.34 0.00 0.00 178.44 180.07 1nkt h ASP 195 N 0.68 0.21 0.94 1.25 5.19 -1.96 -2.81 116.42 119.90 1nkt h ASP 195 Ca 0.34 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1nkt h ASP 195 Cb 0.42 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1nkt h ASP 195 CO -0.12 -0.10 -0.79 0.44 -3.12 0.00 0.00 179.24 175.55 1nkt h ASP 196 N 0.10 0.00 -2.79 6.45 3.32 -1.15 -3.46 116.42 118.89 1nkt h ASP 196 Ca 0.78 -0.12 -0.58 0.00 0.02 0.00 0.00 57.03 57.13 1nkt h ASP 196 Cb 2.59 0.00 0.09 0.00 0.22 0.00 0.00 39.33 42.22 1nkt h ASP 196 CO -0.30 0.06 0.58 0.18 -1.72 0.00 0.00 179.24 178.05 1nkt n LEU 197 N -2.38 3.15 -0.12 1.55 4.77 -1.06 -4.93 117.00 117.97 1nkt n LEU 197 Ca 0.02 1.16 -0.16 0.00 -0.03 0.00 0.00 56.01 56.99 1nkt n LEU 197 Cb 0.49 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.02 1nkt n LEU 197 CO 0.38 -0.51 -1.31 1.33 -1.33 0.00 0.00 177.39 175.95 1nkt n VAL 198 N 1.57 1.46 -1.98 4.08 0.24 -1.26 -4.93 118.33 117.51 1nkt n VAL 198 Ca 0.10 -0.62 -0.28 0.00 -2.04 0.00 0.00 64.34 61.50 1nkt n VAL 198 Cb 0.32 -1.24 0.09 0.00 -1.47 0.00 0.00 33.84 31.55 1nkt n VAL 198 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1nkt s GLN 199 N -2.51 1.91 -0.33 7.34 -0.21 -1.26 -4.47 119.66 120.13 1nkt s GLN 199 Ca -0.30 -0.03 0.17 0.00 0.02 0.00 0.00 55.36 55.22 1nkt s GLN 199 Cb 0.08 -2.00 0.45 0.00 1.00 0.00 0.00 33.01 32.55 1nkt s GLN 199 CO 0.64 -1.57 0.96 2.89 -2.12 0.00 0.00 175.29 176.08 1nkt n ARG 200 N -3.25 1.13 0.00 2.91 1.85 -1.26 -5.08 116.66 112.97 1nkt n ARG 200 Ca 0.09 -3.20 0.00 0.00 -1.00 0.00 0.00 57.85 53.73 1nkt n ARG 200 Cb 0.61 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.80 1nkt n ARG 200 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nkt n GLY 201 N -0.06 0.27 2.54 2.89 0.00 -1.26 -4.91 105.19 104.66 1nkt n GLY 201 Ca 0.09 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 1nkt n GLY 201 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nkt s HIS 202 N -1.11 1.29 -0.19 1.61 3.76 -1.26 -4.97 115.29 114.42 1nkt s HIS 202 Ca 0.00 -2.08 -0.15 0.00 -0.15 0.00 0.00 55.06 52.68 1nkt s HIS 202 Cb 0.00 -1.27 -0.08 0.00 1.11 0.00 0.00 32.58 32.34 1nkt s HIS 202 CO 0.00 -0.80 -0.26 0.72 -0.85 0.00 0.00 174.74 173.55 1nkt n HIS 203 N 3.55 0.33 -3.72 1.40 -0.00 -1.26 -1.52 115.22 114.00 1nkt n HIS 203 Ca 0.15 0.14 -0.15 0.00 -0.00 0.00 0.00 57.72 57.87 1nkt n HIS 203 Cb 0.39 -0.72 -0.15 0.00 -0.00 0.00 0.00 29.99 29.51 1nkt n HIS 203 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1nkt s TYR 204 N -2.62 -0.17 -0.10 4.41 5.04 -1.26 -1.32 117.35 121.33 1nkt s TYR 204 Ca -0.27 0.53 0.04 0.00 -2.44 0.00 0.00 57.07 54.92 1nkt s TYR 204 Cb 0.06 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1nkt s TYR 204 CO 0.40 -0.21 -0.24 0.00 -1.34 0.00 0.00 175.55 174.17 1nkt s ALA 205 N 1.61 2.18 -0.34 3.97 0.00 -0.64 -0.29 121.76 128.25 1nkt s ALA 205 Ca -0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1nkt s ALA 205 Cb -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1nkt s ALA 205 CO -0.06 0.28 0.15 0.42 0.00 0.00 0.00 175.76 176.54 1nkt s ILE 206 N 0.36 4.29 -0.40 0.00 1.01 -0.06 -0.70 121.20 125.69 1nkt s ILE 206 Ca -0.18 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 1nkt s ILE 206 Cb -0.18 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1nkt s ILE 206 CO 0.09 -0.09 0.64 -0.69 0.00 0.00 0.00 174.94 174.89 1nkt s VAL 207 N 1.53 4.85 0.50 2.92 1.01 0.25 -0.71 120.40 130.74 1nkt s VAL 207 Ca 0.02 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1nkt s VAL 207 Cb -0.18 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 1nkt s VAL 207 CO 0.05 -0.47 0.98 -0.62 0.00 0.00 0.00 175.10 175.04 1nkt s ASP 208 N 1.91 6.63 -1.40 3.32 -1.08 0.11 -1.28 116.67 124.88 1nkt s ASP 208 Ca 0.23 1.64 -0.01 0.00 -0.52 0.00 0.00 52.55 53.90 1nkt s ASP 208 Cb -0.14 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1nkt s ASP 208 CO 0.17 -0.58 0.41 -0.62 0.52 0.00 0.00 175.17 175.07 1nkt n GLU 209 N -1.31 -3.04 -0.27 4.34 -0.58 -0.48 -4.63 120.64 114.67 1nkt n GLU 209 Ca 0.07 0.38 0.06 0.00 -0.42 0.00 0.00 57.16 57.25 1nkt n GLU 209 Cb 0.54 -4.43 0.20 0.00 -0.57 0.00 0.00 31.44 27.17 1nkt n GLU 209 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1nkt h VAL 210 N -1.84 0.65 -0.56 2.62 -1.51 -1.37 -1.43 116.25 112.81 1nkt h VAL 210 Ca -0.63 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 1nkt h VAL 210 Cb 1.38 0.15 -0.03 0.00 -2.13 0.00 0.00 31.29 30.66 1nkt h VAL 210 CO 0.62 0.08 0.27 -2.24 -1.23 0.00 0.00 177.57 175.08 1nkt h ASP 211 N 0.47 0.73 -0.89 4.19 2.03 -1.83 0.62 116.42 121.74 1nkt h ASP 211 Ca 0.43 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1nkt h ASP 211 Cb 0.66 -0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 38.93 1nkt h ASP 211 CO -0.41 0.66 0.57 0.28 -1.03 0.00 0.00 179.24 179.31 1nkt h SER 212 N 0.76 1.05 0.02 4.15 0.02 -1.64 -1.43 113.55 116.47 1nkt h SER 212 Ca 0.19 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.84 1nkt h SER 212 Cb 0.12 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1nkt h SER 212 CO -0.02 0.78 -1.42 -0.38 -1.14 0.00 0.00 176.83 174.65 1nkt n ILE 213 N -4.43 1.56 0.13 3.27 5.41 -1.01 0.09 119.36 124.39 1nkt n ILE 213 Ca 0.10 -0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.80 1nkt n ILE 213 Cb 0.03 -2.00 0.04 0.00 -0.71 0.00 0.00 39.64 37.01 1nkt n ILE 213 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1nkt h LEU 214 N -0.87 0.00 0.00 1.39 3.38 0.13 -3.13 115.31 116.22 1nkt h LEU 214 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1nkt h LEU 214 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1nkt h LEU 214 CO -0.19 0.26 -0.21 -0.38 0.09 0.00 0.00 178.44 178.02 1nkt n ILE 215 N -3.01 0.36 0.27 1.22 -0.00 -0.80 -4.46 119.36 112.95 1nkt n ILE 215 Ca -0.00 0.36 -0.16 0.00 -0.00 0.00 0.00 62.75 62.95 1nkt n ILE 215 Cb 0.66 -1.62 -0.08 0.00 -0.00 0.00 0.00 39.64 38.59 1nkt n ILE 215 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1nkt h ASP 216 N -0.21 -0.56 0.95 4.38 3.32 -1.18 -2.81 116.42 120.31 1nkt h ASP 216 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1nkt h ASP 216 Cb 0.21 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1nkt h ASP 216 CO 0.00 -0.31 0.00 -0.33 -1.72 0.00 0.00 179.24 176.88 1nkt h GLU 217 N -0.79 0.00 0.00 3.56 5.08 -0.42 -3.08 114.58 118.92 1nkt h GLU 217 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1nkt h GLU 217 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1nkt h GLU 217 CO 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 1nkt n ALA 218 N -1.81 1.99 0.29 3.43 0.00 -1.06 -2.89 120.51 120.47 1nkt n ALA 218 Ca 0.03 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.54 1nkt n ALA 218 Cb 0.29 -1.26 0.56 0.00 0.00 0.00 0.00 19.45 19.04 1nkt n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkt h ARG 219 N 0.00 0.00 -5.58 0.00 3.08 -1.68 -3.44 114.38 106.77 1nkt h ARG 219 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1nkt h ARG 219 Cb 0.06 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 29.80 1nkt h ARG 219 CO 0.00 0.00 -0.86 0.95 -1.07 0.00 0.00 179.97 178.99 1nkt s THR 220 N -3.52 1.71 0.67 2.04 -4.23 -1.14 -4.79 115.64 106.37 1nkt s THR 220 Ca 0.03 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 59.58 1nkt s THR 220 Cb 0.08 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.48 1nkt s THR 220 CO 0.56 0.48 1.01 -2.16 -0.54 0.00 0.00 174.62 173.97 1nkt s PRO 221 N -0.01 2.73 -0.20 3.99 0.04 -1.26 -4.59 135.00 135.69 1nkt s PRO 221 Ca -0.05 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.95 1nkt s PRO 221 Cb -0.13 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1nkt s PRO 221 CO 0.03 -0.97 0.55 -0.51 0.04 0.00 0.00 177.00 176.15 1nkt s LEU 222 N -5.21 4.15 -0.07 -3.56 1.02 -0.79 -5.00 118.68 109.23 1nkt s LEU 222 Ca 0.57 0.73 0.02 0.00 0.02 0.00 0.00 54.13 55.47 1nkt s LEU 222 Cb -0.11 -2.77 0.01 0.00 0.02 0.00 0.00 46.19 43.35 1nkt s LEU 222 CO 0.48 -0.21 -0.13 -0.63 0.02 0.00 0.00 176.35 175.88 1nkt s ILE 223 N 1.71 1.21 -0.30 -0.59 1.01 -1.26 -2.88 121.20 120.11 1nkt s ILE 223 Ca 0.26 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1nkt s ILE 223 Cb -0.16 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1nkt s ILE 223 CO 0.10 0.37 0.19 -0.63 0.00 0.00 0.00 174.94 174.97 1nkt s ILE 224 N 0.68 5.14 0.36 2.92 1.01 -0.72 -5.02 121.20 125.58 1nkt s ILE 224 Ca -0.14 -0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.58 1nkt s ILE 224 Cb -0.16 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 1nkt s ILE 224 CO 0.04 0.17 -0.03 -0.94 0.00 0.00 0.00 174.94 174.18 1nkt s SER 225 N 1.72 3.93 0.00 3.58 1.04 -1.26 -0.04 113.70 122.68 1nkt s SER 225 Ca 0.06 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1nkt s SER 225 Cb -0.16 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1nkt s SER 225 CO 0.10 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1nkt n GLY 226 N -0.90 0.25 3.74 7.32 0.00 -0.19 -4.86 105.19 110.55 1nkt n GLY 226 Ca -0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1nkt n GLY 226 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nkt n PRO 227 N -0.05 2.59 0.00 1.61 -0.04 -1.26 -0.71 135.00 137.14 1nkt n PRO 227 Ca 0.00 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1nkt n PRO 227 Cb 0.00 -2.67 0.01 0.00 -0.04 0.00 0.00 33.50 30.80 1nkt n PRO 227 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nkt n ALA 228 N 1.81 1.09 -2.11 0.55 0.00 -1.04 -4.83 120.51 115.98 1nkt n ALA 228 Ca 0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1nkt n ALA 228 Cb 0.36 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1nkt n ALA 228 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nkt n ASP 229 N -1.42 -2.26 -1.93 0.00 2.03 -1.26 -4.81 116.55 106.90 1nkt n ASP 229 Ca 0.00 -0.01 -0.27 0.00 0.52 0.00 0.00 54.79 55.03 1nkt n ASP 229 Cb 0.00 -1.62 -0.04 0.00 -0.72 0.00 0.00 41.12 38.74 1nkt n ASP 229 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nkt n GLY 230 N -1.00 0.04 0.03 0.27 0.00 -1.26 -4.85 105.19 98.41 1nkt n GLY 230 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1nkt n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nkt n ALA 231 N 1.43 2.30 -0.31 4.61 0.00 -1.26 -4.56 120.51 122.73 1nkt n ALA 231 Ca 0.12 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.86 1nkt n ALA 231 Cb -0.01 -1.00 0.57 0.00 0.00 0.00 0.00 19.45 19.00 1nkt n ALA 231 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nkt n SER 232 N -0.47 0.33 0.16 0.00 3.41 -1.26 -0.43 113.62 115.36 1nkt n SER 232 Ca 0.00 1.60 0.02 0.00 -0.26 0.00 0.00 58.87 60.24 1nkt n SER 232 Cb 0.01 -0.78 0.20 0.00 -0.26 0.00 0.00 64.21 63.38 1nkt n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nkt h ASN 233 N 0.00 0.00 0.74 4.04 -0.00 -2.00 -2.67 115.58 115.69 1nkt h ASN 233 Ca 0.82 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.91 1nkt h ASN 233 Cb 2.16 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 40.46 1nkt h ASN 233 CO -0.75 0.51 -0.94 -0.50 -0.00 0.00 0.00 177.43 175.75 1nkt h TRP 234 N 0.00 0.19 -0.19 4.14 4.06 -1.11 -2.00 115.95 121.03 1nkt h TRP 234 Ca -0.01 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 1nkt h TRP 234 Cb 1.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 1nkt h TRP 234 CO 0.00 0.99 0.10 1.88 -3.56 0.00 0.00 178.44 177.84 1nkt h TYR 235 N 0.05 0.26 -0.50 0.49 0.05 -1.33 -1.76 116.97 114.23 1nkt h TYR 235 Ca -0.04 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1nkt h TYR 235 Cb 1.62 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 39.25 1nkt h TYR 235 CO 0.02 0.26 0.18 1.15 -1.05 0.00 0.00 178.16 178.73 1nkt h THR 236 N 0.19 1.22 -0.66 -2.88 2.02 -1.51 -2.29 112.91 108.99 1nkt h THR 236 Ca 0.07 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1nkt h THR 236 Cb 0.09 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1nkt h THR 236 CO -0.01 0.26 0.43 -0.08 0.37 0.00 0.00 175.52 176.49 1nkt h GLU 237 N 0.67 0.88 0.00 6.66 4.57 -1.11 -1.66 114.58 124.60 1nkt h GLU 237 Ca 0.16 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.15 1nkt h GLU 237 Cb 0.23 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1nkt h GLU 237 CO -0.01 0.60 -0.63 0.74 -1.18 0.00 0.00 179.01 178.53 1nkt h PHE 238 N 0.90 0.00 -0.31 0.92 0.04 -1.26 -1.18 116.94 116.05 1nkt h PHE 238 Ca 0.24 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 1nkt h PHE 238 Cb -0.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 1nkt h PHE 238 CO -0.02 0.63 -0.10 0.00 -0.60 0.00 0.00 178.31 178.22 1nkt h ALA 239 N 1.37 1.26 -0.06 2.45 0.00 -1.18 0.34 119.26 123.43 1nkt h ALA 239 Ca -0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1nkt h ALA 239 Cb 1.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1nkt h ALA 239 CO 0.08 0.49 -0.58 -0.09 0.00 0.00 0.00 179.25 179.15 1nkt h ARG 240 N 0.48 0.21 0.18 0.00 2.43 -0.91 -3.35 114.38 113.42 1nkt h ARG 240 Ca 0.09 -0.14 -0.31 0.00 -0.81 0.00 0.00 59.98 58.82 1nkt h ARG 240 Cb 0.47 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1nkt h ARG 240 CO 0.03 0.73 -1.48 -0.07 -1.51 0.00 0.00 179.97 177.66 1nkt h LEU 241 N 0.16 0.60 -0.61 3.80 3.38 -0.84 -3.38 115.31 118.41 1nkt h LEU 241 Ca -0.00 -0.92 0.13 0.00 0.09 0.00 0.00 57.88 57.17 1nkt h LEU 241 Cb 1.07 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 1nkt h LEU 241 CO 0.09 1.68 -0.11 0.00 0.09 0.00 0.00 178.44 180.19 1nkt h ALA 242 N 0.08 0.47 -0.66 1.53 0.00 -0.47 -1.42 119.26 118.79 1nkt h ALA 242 Ca -0.29 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nkt h ALA 242 Cb 1.98 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 20.15 1nkt h ALA 242 CO 0.17 -0.42 0.43 -1.35 0.00 0.00 0.00 179.25 178.08 1nkt h PRO 243 N 0.03 0.66 0.00 0.00 0.11 -1.74 -1.23 132.00 129.84 1nkt h PRO 243 Ca 0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1nkt h PRO 243 Cb 0.48 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1nkt h PRO 243 CO -0.60 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 178.91 1nkt n LEU 244 N -4.48 0.00 -4.79 2.35 4.77 -0.54 -4.77 117.00 109.54 1nkt n LEU 244 Ca 0.09 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 1nkt n LEU 244 Cb 0.22 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1nkt n LEU 244 CO 0.34 -0.03 -0.24 -0.04 -1.33 0.00 0.00 177.39 176.10 1nkt s MET 245 N -2.16 3.12 -0.19 3.23 -1.94 -0.46 -5.09 119.30 115.81 1nkt s MET 245 Ca 0.29 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.78 1nkt s MET 245 Cb 0.15 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1nkt s MET 245 CO 0.27 0.66 0.00 -2.00 -0.01 0.00 0.00 175.02 173.94 1nkt s GLU 246 N -1.64 3.69 0.20 2.03 2.12 -1.26 -4.98 118.70 118.86 1nkt s GLU 246 Ca 0.22 -0.49 -0.32 0.00 0.36 0.00 0.00 54.97 54.74 1nkt s GLU 246 Cb -0.12 -3.07 -0.14 0.00 0.26 0.00 0.00 34.13 31.06 1nkt s GLU 246 CO 0.13 0.11 1.34 1.17 -0.54 0.00 0.00 175.26 177.47 1nkt n LYS 247 N 3.96 1.70 -0.78 4.30 4.81 -1.26 -0.62 118.16 130.26 1nkt n LYS 247 Ca -0.17 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1nkt n LYS 247 Cb 0.52 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1nkt n LYS 247 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nkt n ASP 248 N 2.27 -1.27 0.01 3.14 8.00 0.16 -4.70 116.55 124.16 1nkt n ASP 248 Ca 0.14 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.61 1nkt n ASP 248 Cb 0.28 -1.69 -0.01 0.00 -0.02 0.00 0.00 41.12 39.68 1nkt n ASP 248 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nkt n VAL 249 N -2.11 1.24 0.12 2.53 0.31 -0.81 -4.80 118.33 114.82 1nkt n VAL 249 Ca 0.00 0.32 0.06 0.00 -0.01 0.00 0.00 64.34 64.71 1nkt n VAL 249 Cb 0.08 -1.77 0.02 0.00 -0.91 0.00 0.00 33.84 31.26 1nkt n VAL 249 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1nkt h HIS 250 N -0.27 0.00 -3.15 3.52 3.86 -1.15 -3.42 115.15 114.54 1nkt h HIS 250 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1nkt h HIS 250 Cb 0.27 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 1nkt h HIS 250 CO -0.12 0.31 0.17 1.52 0.86 0.00 0.00 177.93 180.67 1nkt s TYR 251 N -3.09 0.04 0.13 2.45 1.13 -1.22 -1.10 117.35 115.69 1nkt s TYR 251 Ca 0.02 -0.54 0.07 0.00 -1.41 0.00 0.00 57.07 55.21 1nkt s TYR 251 Cb 0.08 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.53 1nkt s TYR 251 CO 0.76 -1.29 -0.16 -1.83 -2.51 0.00 0.00 175.55 170.52 1nkt s GLU 252 N -3.44 1.08 -0.16 -3.49 -1.05 0.03 0.40 118.70 112.07 1nkt s GLU 252 Ca 0.15 -1.25 0.01 0.00 -0.15 0.00 0.00 54.97 53.73 1nkt s GLU 252 Cb -0.05 -1.06 0.02 0.00 -0.44 0.00 0.00 34.13 32.60 1nkt s GLU 252 CO 0.09 0.22 -0.18 0.08 0.95 0.00 0.00 175.26 176.41 1nkt s VAL 253 N -1.92 1.89 -0.57 1.83 1.01 -1.26 -1.41 120.40 119.96 1nkt s VAL 253 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 1nkt s VAL 253 Cb -0.06 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.66 1nkt s VAL 253 CO 0.04 0.51 0.92 -0.62 0.00 0.00 0.00 175.10 175.95 1nkt s ASP 254 N 1.22 6.29 0.18 3.32 2.15 -0.27 -4.92 116.67 124.65 1nkt s ASP 254 Ca 0.02 -0.54 -0.05 0.00 0.43 0.00 0.00 52.55 52.41 1nkt s ASP 254 Cb -0.14 -2.42 0.09 0.00 -0.30 0.00 0.00 42.92 40.15 1nkt s ASP 254 CO -0.09 -1.25 1.51 -0.07 -0.17 0.00 0.00 175.17 175.09 1nkt h LEU 255 N 10.96 0.70 -0.96 -1.34 3.38 -1.98 -2.59 115.31 123.48 1nkt h LEU 255 Ca -0.27 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.24 1nkt h LEU 255 Cb 1.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1nkt h LEU 255 CO 1.10 1.08 -0.48 0.03 0.09 0.00 0.00 178.44 180.26 1nkt h ARG 256 N 0.50 0.08 0.00 1.13 2.47 -1.96 -3.31 114.38 113.30 1nkt h ARG 256 Ca 0.02 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1nkt h ARG 256 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1nkt h ARG 256 CO 0.10 0.55 -0.95 1.17 0.56 0.00 0.00 179.97 181.40 1nkt n LYS 257 N -3.97 0.12 -3.16 0.04 4.81 -1.15 -4.99 118.16 109.86 1nkt n LYS 257 Ca -0.02 -0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.27 1nkt n LYS 257 Cb 0.51 -1.53 0.07 0.00 0.02 0.00 0.00 35.03 34.11 1nkt n LYS 257 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1nkt n ARG 258 N -1.67 -4.90 -3.99 1.64 0.63 -1.02 -5.04 116.66 102.31 1nkt n ARG 258 Ca 0.03 0.72 -0.09 0.00 -0.92 0.00 0.00 57.85 57.60 1nkt n ARG 258 Cb 0.37 -5.31 -0.10 0.00 0.45 0.00 0.00 32.46 27.87 1nkt n ARG 258 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1nkt s THR 259 N -3.31 0.15 -0.04 5.15 -1.32 -1.01 -5.05 115.64 110.22 1nkt s THR 259 Ca 0.07 -1.21 -0.02 0.00 -1.21 0.00 0.00 61.69 59.32 1nkt s THR 259 Cb -0.01 -0.83 0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1nkt s THR 259 CO 0.62 -0.67 0.09 -0.69 -2.21 0.00 0.00 174.62 171.76 1nkt s VAL 260 N -2.52 -0.02 -0.06 5.08 1.01 -1.26 -1.11 120.40 121.52 1nkt s VAL 260 Ca -0.06 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1nkt s VAL 260 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.22 1nkt s VAL 260 CO -0.05 0.02 -0.19 -0.83 0.00 0.00 0.00 175.10 174.05 1nkt s GLY 261 N 0.38 1.06 -0.30 4.51 0.00 -0.50 -4.99 107.32 107.48 1nkt s GLY 261 Ca -0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 44.72 43.70 1nkt s GLY 261 CO -0.01 -0.37 0.63 0.14 0.00 0.00 0.00 173.10 173.49 1nkt s VAL 262 N 0.10 4.94 0.77 1.40 1.01 -1.26 -0.79 120.40 126.57 1nkt s VAL 262 Ca -0.07 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 1nkt s VAL 262 Cb -0.13 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1nkt s VAL 262 CO 0.04 -0.13 1.09 -1.00 0.00 0.00 0.00 175.10 175.09 1nkt s HIS 263 N 2.60 2.66 0.25 5.22 3.76 -0.25 -4.71 115.29 124.82 1nkt s HIS 263 Ca 0.25 1.51 -0.08 0.00 -0.15 0.00 0.00 55.06 56.59 1nkt s HIS 263 Cb -0.15 -3.02 0.39 0.00 1.11 0.00 0.00 32.58 30.91 1nkt s HIS 263 CO 0.12 -1.73 1.40 0.39 -0.85 0.00 0.00 174.74 174.07 1nkt n GLU 264 N -3.47 -0.10 -0.35 1.40 1.02 -1.26 -0.78 120.64 117.09 1nkt n GLU 264 Ca 0.09 1.40 -0.01 0.00 -0.02 0.00 0.00 57.16 58.62 1nkt n GLU 264 Cb 0.53 -2.09 0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1nkt n GLU 264 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1nkt h LYS 265 N 0.00 1.20 -0.43 3.49 3.64 -1.87 -2.34 116.57 120.27 1nkt h LYS 265 Ca 0.42 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1nkt h LYS 265 Cb 0.64 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1nkt h LYS 265 CO -0.92 0.79 -0.01 0.78 -2.27 0.00 0.00 179.45 177.82 1nkt h GLY 266 N 1.23 0.82 0.61 5.01 0.00 -1.02 -0.48 103.07 109.25 1nkt h GLY 266 Ca 0.37 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1nkt h GLY 266 CO -0.10 0.56 -0.00 -2.08 0.00 0.00 0.00 176.54 174.92 1nkt h VAL 267 N 0.60 0.82 -0.83 4.60 2.07 -1.14 -2.20 116.25 120.16 1nkt h VAL 267 Ca 0.12 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1nkt h VAL 267 Cb 0.50 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1nkt h VAL 267 CO 0.02 0.01 0.37 -0.08 0.02 0.00 0.00 177.57 177.92 1nkt h GLU 268 N 0.07 1.22 0.26 1.57 4.81 -1.37 -1.58 114.58 119.57 1nkt h GLU 268 Ca 0.12 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1nkt h GLU 268 Cb 0.15 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1nkt h GLU 268 CO -0.20 0.95 -0.14 0.35 -0.73 0.00 0.00 179.01 179.24 1nkt h PHE 269 N 1.19 -0.36 -0.79 0.92 3.57 -0.74 -1.11 116.94 119.62 1nkt h PHE 269 Ca 0.28 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1nkt h PHE 269 Cb 0.16 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1nkt h PHE 269 CO 0.02 -0.22 0.51 0.28 -2.23 0.00 0.00 178.31 176.66 1nkt h VAL 270 N -0.38 1.14 -0.14 1.41 2.07 -1.32 -1.23 116.25 117.82 1nkt h VAL 270 Ca -0.03 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1nkt h VAL 270 Cb 0.30 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1nkt h VAL 270 CO 0.05 0.18 -0.21 -0.33 0.02 0.00 0.00 177.57 177.28 1nkt h GLU 271 N 1.00 -0.25 -0.41 1.57 5.08 -0.95 -1.87 114.58 118.75 1nkt h GLU 271 Ca 0.31 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1nkt h GLU 271 Cb -0.03 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1nkt h GLU 271 CO -0.10 -0.17 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.20 1nkt h ASP 272 N -0.26 0.71 0.40 1.42 5.19 -0.76 -1.32 116.42 121.79 1nkt h ASP 272 Ca 0.10 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.27 1nkt h ASP 272 Cb 0.41 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1nkt h ASP 272 CO -0.29 0.85 -0.20 1.56 -3.12 0.00 0.00 179.24 178.04 1nkt h GLN 273 N 0.66 0.00 -0.21 3.56 1.08 -0.96 -3.10 115.11 116.14 1nkt h GLN 273 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1nkt h GLN 273 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1nkt h GLN 273 CO 0.04 0.20 0.00 1.28 -0.95 0.00 0.00 178.83 179.39 1nkt n LEU 274 N -3.82 2.64 -3.10 1.46 4.77 -0.73 -4.99 117.00 113.23 1nkt n LEU 274 Ca -0.02 -1.44 -0.22 0.00 -0.03 0.00 0.00 56.01 54.30 1nkt n LEU 274 Cb 0.30 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1nkt n LEU 274 CO 0.33 0.58 -0.03 0.61 -1.33 0.00 0.00 177.39 177.55 1nkt n GLY 275 N 0.81 -0.51 3.48 -0.72 0.00 -0.57 -4.97 105.19 102.72 1nkt n GLY 275 Ca 0.11 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1nkt n GLY 275 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nkt s ILE 276 N -3.06 2.27 -0.54 -0.61 1.10 -0.79 -5.05 121.20 114.53 1nkt s ILE 276 Ca 0.32 -2.30 0.13 0.00 -0.51 0.00 0.00 60.65 58.29 1nkt s ILE 276 Cb -0.15 -2.42 -0.16 0.00 0.15 0.00 0.00 42.46 39.88 1nkt s ILE 276 CO 0.39 -0.34 0.53 0.47 -2.11 0.00 0.00 174.94 173.89 1nkt n ASP 277 N -0.66 0.83 -3.64 4.50 9.92 -1.26 -4.51 116.55 121.72 1nkt n ASP 277 Ca -0.05 -0.69 -0.10 0.00 -0.53 0.00 0.00 54.79 53.42 1nkt n ASP 277 Cb 0.62 1.10 -0.07 0.00 -0.64 0.00 0.00 41.12 42.13 1nkt n ASP 277 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1nkt s ASN 278 N -2.49 -0.58 0.00 -2.24 3.84 -1.26 -5.03 114.94 107.18 1nkt s ASN 278 Ca 0.03 1.08 0.19 0.00 0.21 0.00 0.00 52.86 54.37 1nkt s ASN 278 Cb 0.10 1.12 1.13 0.00 -0.55 0.00 0.00 41.25 43.05 1nkt s ASN 278 CO 0.56 -0.18 1.53 0.18 -2.79 0.00 0.00 177.10 176.40 1nkt n LEU 279 N 2.67 0.00 -0.56 3.21 4.77 -1.26 -1.44 117.00 124.38 1nkt n LEU 279 Ca -0.14 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1nkt n LEU 279 Cb 0.56 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.80 1nkt n LEU 279 CO 0.02 0.00 0.62 -1.22 -1.33 0.00 0.00 177.39 175.48 1nkt n TYR 280 N -0.96 0.45 0.06 -1.77 4.01 -1.26 -3.75 117.16 113.93 1nkt n TYR 280 Ca 0.14 -0.58 -0.07 0.00 -0.16 0.00 0.00 57.90 57.23 1nkt n TYR 280 Cb 0.07 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 38.89 1nkt n TYR 280 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1nkt h GLU 281 N 1.60 0.01 -5.52 -0.72 4.11 -1.35 -3.04 114.58 109.66 1nkt h GLU 281 Ca 0.00 -0.02 -0.64 0.00 0.07 0.00 0.00 59.36 58.77 1nkt h GLU 281 Cb 0.82 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.93 1nkt h GLU 281 CO 0.04 0.99 0.29 0.00 0.07 0.00 0.00 179.01 180.40 1nkt s ALA 282 N -2.70 3.29 0.19 1.06 0.00 -1.26 -0.98 121.76 121.35 1nkt s ALA 282 Ca 0.01 -1.31 -0.33 0.00 0.00 0.00 0.00 51.96 50.33 1nkt s ALA 282 Cb 0.10 -3.49 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 1nkt s ALA 282 CO 0.82 -2.06 1.33 0.00 0.00 0.00 0.00 175.76 175.85 1nkt n ALA 283 N 6.71 0.22 -0.98 0.00 0.00 -1.26 -2.17 120.51 123.03 1nkt n ALA 283 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1nkt n ALA 283 Cb 0.47 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1nkt n ALA 283 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nkt n ASN 284 N 2.28 -1.52 -3.92 0.00 3.02 -1.26 -5.00 115.26 108.86 1nkt n ASN 284 Ca 0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 1nkt n ASN 284 Cb 0.27 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.83 1nkt n ASN 284 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1nkt s SER 285 N -2.49 4.50 -1.12 6.41 0.01 -0.92 -5.03 113.70 115.06 1nkt s SER 285 Ca 0.00 -2.03 -0.12 0.00 1.31 0.00 0.00 55.95 55.11 1nkt s SER 285 Cb 0.00 -1.38 -0.07 0.00 0.21 0.00 0.00 66.02 64.78 1nkt s SER 285 CO 0.00 -0.38 2.26 -0.81 0.41 0.00 0.00 173.24 174.72 1nkt n PRO 286 N 4.39 2.41 -0.28 12.44 -0.04 -1.26 -4.76 135.00 147.90 1nkt n PRO 286 Ca 0.02 -1.91 0.13 0.00 -0.04 0.00 0.00 63.50 61.70 1nkt n PRO 286 Cb 0.42 -2.79 0.39 0.00 -0.04 0.00 0.00 33.50 31.48 1nkt n PRO 286 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nkt h LEU 287 N 9.71 0.64 -0.77 1.53 3.38 -1.93 0.15 115.31 128.02 1nkt h LEU 287 Ca 0.57 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.68 1nkt h LEU 287 Cb 0.40 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1nkt h LEU 287 CO 1.73 0.30 0.43 0.58 0.09 0.00 0.00 178.44 181.57 1nkt h VAL 288 N 0.67 0.91 -0.11 1.22 2.07 -1.86 -0.30 116.25 118.84 1nkt h VAL 288 Ca 0.47 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 1nkt h VAL 288 Cb 0.80 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1nkt h VAL 288 CO -0.22 0.13 -0.15 0.28 0.02 0.00 0.00 177.57 177.63 1nkt h SER 289 N 0.73 0.32 -0.48 0.57 0.02 -1.37 -1.74 113.55 111.60 1nkt h SER 289 Ca 0.37 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1nkt h SER 289 Cb 0.33 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1nkt h SER 289 CO -0.24 0.78 0.14 1.88 -1.14 0.00 0.00 176.83 178.25 1nkt h TYR 290 N -0.14 0.24 0.27 3.45 0.05 -1.31 0.27 116.97 119.80 1nkt h TYR 290 Ca 0.01 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1nkt h TYR 290 Cb 0.71 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1nkt h TYR 290 CO 0.10 0.06 -0.13 1.25 -1.05 0.00 0.00 178.16 178.39 1nkt h LEU 291 N 0.30 -0.30 -0.85 3.88 5.85 -1.05 0.05 115.31 123.18 1nkt h LEU 291 Ca 0.23 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1nkt h LEU 291 Cb 0.27 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1nkt h LEU 291 CO -0.26 -0.15 0.54 -1.13 -0.34 0.00 0.00 178.44 177.10 1nkt h ASN 292 N -0.43 0.89 -0.29 1.25 -0.73 -0.98 0.36 115.58 115.65 1nkt h ASN 292 Ca -0.04 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.10 1nkt h ASN 292 Cb 0.33 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1nkt h ASN 292 CO 0.06 0.60 0.05 0.78 -0.37 0.00 0.00 177.43 178.55 1nkt h ASN 293 N 1.04 0.45 -0.85 1.15 -0.26 -0.30 -0.35 115.58 116.46 1nkt h ASN 293 Ca 0.35 -0.25 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 1nkt h ASN 293 Cb 0.05 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 1nkt h ASN 293 CO -0.13 0.59 0.56 0.00 -1.06 0.00 0.00 177.43 177.38 1nkt h ALA 294 N 0.88 1.43 -0.01 -0.83 0.00 -0.14 0.40 119.26 120.99 1nkt h ALA 294 Ca 0.09 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1nkt h ALA 294 Cb 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1nkt h ALA 294 CO 0.00 0.51 -0.73 -0.07 0.00 0.00 0.00 179.25 178.96 1nkt h LEU 295 N 1.11 0.12 -0.12 0.00 3.38 -0.72 -1.06 115.31 118.01 1nkt h LEU 295 Ca 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1nkt h LEU 295 Cb -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1nkt h LEU 295 CO -0.08 0.80 -0.01 0.11 0.09 0.00 0.00 178.44 179.35 1nkt h LYS 296 N 0.06 0.23 -0.87 1.13 1.57 -0.13 -2.71 116.57 115.84 1nkt h LYS 296 Ca -0.02 -0.08 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 1nkt h LYS 296 Cb 1.29 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.48 1nkt h LYS 296 CO 0.10 0.49 0.45 0.00 -0.57 0.00 0.00 179.45 179.92 1nkt h ALA 297 N 0.73 1.35 -0.23 3.86 0.00 -0.09 0.19 119.26 125.07 1nkt h ALA 297 Ca 0.03 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1nkt h ALA 297 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nkt h ALA 297 CO 0.01 -0.12 -0.45 -0.22 0.00 0.00 0.00 179.25 178.46 1nkt h LYS 298 N 0.60 0.59 0.00 0.00 3.64 -1.11 -3.37 116.57 116.93 1nkt h LYS 298 Ca 0.49 -0.32 -0.22 0.00 -1.27 0.00 0.00 60.65 59.33 1nkt h LYS 298 Cb 0.75 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1nkt h LYS 298 CO -0.39 0.92 -1.82 0.39 -2.27 0.00 0.00 179.45 176.28 1nkt n GLU 299 N -4.01 0.54 0.00 1.90 -0.58 -0.79 -4.76 120.64 112.94 1nkt n GLU 299 Ca -0.02 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 56.90 1nkt n GLU 299 Cb 0.55 -1.29 -0.12 0.00 -0.57 0.00 0.00 31.44 30.00 1nkt n GLU 299 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nkt n LEU 300 N -2.88 0.42 -4.17 -4.62 4.77 0.61 -4.87 117.00 106.27 1nkt n LEU 300 Ca -0.25 -0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.26 1nkt n LEU 300 Cb 0.78 -0.02 -0.17 0.00 -2.33 0.00 0.00 43.42 41.69 1nkt n LEU 300 CO 0.15 0.08 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.39 1nkt s PHE 301 N -3.31 2.63 -0.12 -1.77 0.40 -1.21 -5.05 117.98 109.54 1nkt s PHE 301 Ca -0.01 -1.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.00 1nkt s PHE 301 Cb 0.15 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 1nkt s PHE 301 CO 0.88 -0.60 -0.14 -1.12 0.70 0.00 0.00 175.22 174.93 1nkt s SER 302 N 0.81 3.91 0.11 1.36 0.01 -1.26 -4.76 113.70 113.88 1nkt s SER 302 Ca -0.07 -0.35 -0.31 0.00 1.31 0.00 0.00 55.95 56.53 1nkt s SER 302 Cb -0.16 -1.57 -0.09 0.00 0.21 0.00 0.00 66.02 64.42 1nkt s SER 302 CO -0.02 0.17 1.53 -0.60 0.41 0.00 0.00 173.24 174.74 1nkt s ARG 303 N 0.32 4.24 -0.07 12.44 3.52 -1.26 -1.47 118.95 136.67 1nkt s ARG 303 Ca -0.11 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.73 1nkt s ARG 303 Cb -0.16 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1nkt s ARG 303 CO 0.06 -0.60 0.00 -0.25 -0.81 0.00 0.00 175.30 173.70 1nkt n ASP 304 N 4.61 -1.75 0.00 -2.12 8.00 0.10 -4.85 116.55 120.54 1nkt n ASP 304 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1nkt n ASP 304 Cb 0.41 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1nkt n ASP 304 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1nkt n LYS 305 N -1.65 0.00 -0.11 -1.24 4.81 -1.09 -4.95 118.16 113.94 1nkt n LYS 305 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 1nkt n LYS 305 Cb 0.36 -0.10 -0.13 0.00 0.02 0.00 0.00 35.03 35.18 1nkt n LYS 305 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nkt n ASP 306 N -2.03 1.17 -3.82 3.14 8.00 -0.54 -4.38 116.55 118.09 1nkt n ASP 306 Ca 0.00 -0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 1nkt n ASP 306 Cb 0.00 0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1nkt n ASP 306 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1nkt s TYR 307 N -2.47 0.05 0.33 1.24 -0.85 -1.23 -1.56 117.35 112.86 1nkt s TYR 307 Ca -0.20 -0.34 0.10 0.00 -0.52 0.00 0.00 57.07 56.11 1nkt s TYR 307 Cb 0.07 -0.00 -0.06 0.00 0.38 0.00 0.00 41.96 42.35 1nkt s TYR 307 CO 0.67 -0.51 -0.12 0.96 -1.52 0.00 0.00 175.55 175.04 1nkt s ILE 308 N -3.16 2.28 -0.14 -3.49 -4.36 0.12 0.01 121.20 112.46 1nkt s ILE 308 Ca -0.01 -2.24 -0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1nkt s ILE 308 Cb 0.02 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.13 1nkt s ILE 308 CO -0.07 -0.24 -0.10 -0.69 0.24 0.00 0.00 174.94 174.08 1nkt s VAL 309 N -2.60 3.32 0.00 8.37 1.01 -1.26 -0.12 120.40 129.12 1nkt s VAL 309 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1nkt s VAL 309 Cb 0.01 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1nkt s VAL 309 CO 0.16 0.52 0.00 -1.14 0.00 0.00 0.00 175.10 174.64 1nkt n ARG 310 N 3.49 0.00 -2.94 2.72 3.00 0.24 -4.89 116.66 118.29 1nkt n ARG 310 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.35 1nkt n ARG 310 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.96 1nkt n ARG 310 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1nkt n ASP 311 N -1.92 5.39 -2.71 6.15 8.00 -1.26 -4.71 116.55 125.49 1nkt n ASP 311 Ca 0.00 -3.62 -0.18 0.00 0.71 0.00 0.00 54.79 51.70 1nkt n ASP 311 Cb 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1nkt n ASP 311 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nkt n GLY 312 N 0.13 -0.50 3.46 0.44 0.00 -1.26 -5.01 105.19 102.44 1nkt n GLY 312 Ca 0.35 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 1nkt n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nkt s GLU 313 N -5.34 2.66 -0.26 1.61 0.41 -1.26 -4.83 118.70 111.69 1nkt s GLU 313 Ca 0.13 -0.69 -0.23 0.00 -0.41 0.00 0.00 54.97 53.77 1nkt s GLU 313 Cb -0.06 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 29.85 1nkt s GLU 313 CO 0.16 0.55 0.74 0.08 -0.49 0.00 0.00 175.26 176.30 1nkt s VAL 314 N -0.54 4.89 -0.09 2.63 1.01 -1.26 -0.59 120.40 126.45 1nkt s VAL 314 Ca 0.07 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1nkt s VAL 314 Cb -0.12 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 1nkt s VAL 314 CO 0.01 -0.07 -0.24 -0.76 0.00 0.00 0.00 175.10 174.04 1nkt s LEU 315 N 2.73 2.07 0.15 3.92 1.43 0.83 -4.97 118.68 124.84 1nkt s LEU 315 Ca 0.31 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 1nkt s LEU 315 Cb -0.15 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 1nkt s LEU 315 CO 0.09 0.18 0.91 -0.63 0.23 0.00 0.00 176.35 177.13 1nkt s ILE 316 N 0.21 4.38 0.14 -0.59 1.01 -1.26 0.12 121.20 125.20 1nkt s ILE 316 Ca -0.14 1.99 0.09 0.00 0.00 0.00 0.00 60.65 62.58 1nkt s ILE 316 Cb -0.17 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1nkt s ILE 316 CO 0.07 0.40 -0.21 0.68 0.00 0.00 0.00 174.94 175.89 1nkt s VAL 317 N -0.51 1.87 0.44 2.92 -7.23 -0.60 0.06 120.40 117.35 1nkt s VAL 317 Ca 0.43 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 1nkt s VAL 317 Cb -0.24 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1nkt s VAL 317 CO 0.29 -0.16 0.77 1.51 -0.31 0.00 0.00 175.10 177.20 1nkt s ASP 318 N -2.31 6.37 0.00 4.85 3.84 -1.14 -4.57 116.67 123.72 1nkt s ASP 318 Ca 0.12 1.00 0.00 0.00 -0.00 0.00 0.00 52.55 53.67 1nkt s ASP 318 Cb -0.08 -2.27 0.00 0.00 -1.38 0.00 0.00 42.92 39.19 1nkt s ASP 318 CO 0.06 -0.49 0.00 -1.84 -0.00 0.00 0.00 175.17 172.90 1nkt n GLU 319 N -1.81 0.00 -0.54 2.11 0.28 -1.26 -2.06 120.64 117.36 1nkt n GLU 319 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1nkt n GLU 319 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1nkt n GLU 319 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1nkt n PHE 320 N -1.36 0.00 0.09 -1.84 7.35 -1.26 -4.59 117.46 115.86 1nkt n PHE 320 Ca 0.00 -0.02 -0.23 0.00 -0.76 0.00 0.00 57.45 56.44 1nkt n PHE 320 Cb 0.00 -0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1nkt n PHE 320 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1nkt h THR 321 N 6.67 1.24 -0.10 -2.13 2.02 -1.98 -3.48 112.91 115.15 1nkt h THR 321 Ca -0.01 -2.59 -0.04 0.00 0.77 0.00 0.00 66.41 64.54 1nkt h THR 321 Cb 1.35 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 70.74 1nkt h THR 321 CO 0.00 0.79 -0.04 0.61 0.37 0.00 0.00 175.52 177.25 1nkt n GLY 322 N 1.74 0.49 3.85 2.16 0.00 -0.88 -4.99 105.19 107.56 1nkt n GLY 322 Ca -0.19 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1nkt n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt s ARG 323 N -1.24 3.96 0.01 1.61 1.81 -1.26 -4.77 118.95 119.07 1nkt s ARG 323 Ca 0.00 0.46 -0.30 0.00 -1.72 0.00 0.00 55.73 54.17 1nkt s ARG 323 Cb 0.00 -2.96 -0.08 0.00 -0.45 0.00 0.00 34.95 31.47 1nkt s ARG 323 CO 0.00 0.50 1.81 0.08 -0.68 0.00 0.00 175.30 177.00 1nkt s VAL 324 N -1.44 3.23 -1.20 3.52 1.01 -1.26 -2.88 120.40 121.38 1nkt s VAL 324 Ca 0.37 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 1nkt s VAL 324 Cb -0.15 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.14 1nkt s VAL 324 CO 0.19 -0.03 1.49 -0.76 0.00 0.00 0.00 175.10 175.99 1nkt s LEU 325 N 4.05 4.68 0.31 3.92 1.43 0.11 -4.98 118.68 128.21 1nkt s LEU 325 Ca 0.81 -2.73 -0.29 0.00 -1.03 0.00 0.00 54.13 50.89 1nkt s LEU 325 Cb -0.39 -2.45 -0.10 0.00 0.03 0.00 0.00 46.19 43.28 1nkt s LEU 325 CO 0.36 -0.91 1.43 -0.51 0.23 0.00 0.00 176.35 176.95 1nkt s ILE 326 N 2.47 2.46 0.00 -0.59 1.10 -1.26 -2.59 121.20 122.78 1nkt s ILE 326 Ca 0.45 0.42 0.00 0.00 -0.51 0.00 0.00 60.65 61.01 1nkt s ILE 326 Cb -0.01 -3.27 0.00 0.00 0.15 0.00 0.00 42.46 39.33 1nkt s ILE 326 CO 0.01 0.09 0.00 0.61 -2.11 0.00 0.00 174.94 173.54 1nkt n GLY 327 N 1.37 0.64 3.50 1.50 0.00 -1.26 -4.99 105.19 105.95 1nkt n GLY 327 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1nkt n GLY 327 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt s ARG 328 N -0.72 3.71 0.45 1.61 1.81 -1.07 -4.90 118.95 119.84 1nkt s ARG 328 Ca 0.00 -0.47 0.05 0.00 -1.72 0.00 0.00 55.73 53.59 1nkt s ARG 328 Cb 0.00 -3.12 -0.04 0.00 -0.45 0.00 0.00 34.95 31.33 1nkt s ARG 328 CO 0.00 0.07 0.09 1.03 -0.68 0.00 0.00 175.30 175.82 1nkt s ARG 329 N 0.86 2.13 0.44 3.54 0.52 -1.26 -4.38 118.95 120.80 1nkt s ARG 329 Ca 0.02 -2.12 -0.05 0.00 -0.52 0.00 0.00 55.73 53.06 1nkt s ARG 329 Cb -0.14 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 1nkt s ARG 329 CO 0.02 -0.22 0.73 0.71 0.02 0.00 0.00 175.30 176.57 1nkt s TYR 330 N -2.74 3.54 -0.06 -0.53 2.02 -1.26 -5.03 117.35 113.29 1nkt s TYR 330 Ca 0.28 0.77 -0.04 0.00 -0.37 0.00 0.00 57.07 57.70 1nkt s TYR 330 Cb 0.05 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1nkt s TYR 330 CO 0.15 -0.17 0.13 -0.80 -1.57 0.00 0.00 175.55 173.30 1nkt s ASN 331 N -3.90 6.18 -0.73 2.29 0.01 -1.26 -4.11 114.94 113.42 1nkt s ASN 331 Ca 0.47 0.35 -0.03 0.00 -0.71 0.00 0.00 52.86 52.94 1nkt s ASN 331 Cb -0.10 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.63 1nkt s ASN 331 CO 0.41 0.34 0.41 -0.62 -1.51 0.00 0.00 177.10 176.12 1nkt n GLU 332 N 1.51 -2.99 -0.99 -0.60 1.02 -1.26 -2.75 120.64 114.59 1nkt n GLU 332 Ca -0.16 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1nkt n GLU 332 Cb 0.54 -4.29 0.00 0.00 -0.02 0.00 0.00 31.44 27.67 1nkt n GLU 332 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nkt n GLY 333 N -1.17 0.69 0.29 0.62 0.00 -1.26 -4.93 105.19 99.42 1nkt n GLY 333 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1nkt n GLY 333 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nkt h MET 334 N 1.82 0.69 -0.53 1.61 2.86 -1.77 -2.75 114.93 116.86 1nkt h MET 334 Ca 0.00 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1nkt h MET 334 Cb 0.03 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1nkt h MET 334 CO 0.00 0.68 0.28 1.25 1.06 0.00 0.00 176.91 180.18 1nkt h HIS 335 N 0.66 0.74 -0.48 -0.22 6.17 -1.82 -0.14 115.15 120.06 1nkt h HIS 335 Ca 0.14 -0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.11 1nkt h HIS 335 Cb 0.35 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.03 1nkt h HIS 335 CO 0.02 0.56 -0.07 1.96 0.71 0.00 0.00 177.93 181.11 1nkt h GLN 336 N 0.71 0.84 -0.83 5.26 7.50 -1.90 -0.44 115.11 126.25 1nkt h GLN 336 Ca 0.19 -0.27 0.02 0.00 0.50 0.00 0.00 58.65 59.09 1nkt h GLN 336 Cb 0.07 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.48 1nkt h GLN 336 CO -0.03 0.88 0.55 0.00 -1.50 0.00 0.00 178.83 178.74 1nkt h ALA 337 N 1.16 1.44 -0.05 3.87 0.00 -1.12 1.00 119.26 125.55 1nkt h ALA 337 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nkt h ALA 337 Cb 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nkt h ALA 337 CO 0.03 0.50 -0.11 0.82 0.00 0.00 0.00 179.25 180.49 1nkt h ILE 338 N 1.09 1.43 -0.75 0.00 2.04 -0.45 -1.32 117.51 119.55 1nkt h ILE 338 Ca 0.32 -1.45 0.17 0.00 1.00 0.00 0.00 64.86 64.89 1nkt h ILE 338 Cb -0.06 2.27 -0.13 0.00 -0.74 0.00 0.00 36.82 38.16 1nkt h ILE 338 CO -0.08 0.40 -0.03 -0.33 0.00 0.00 0.00 178.15 178.11 1nkt h GLU 339 N -0.35 0.08 -0.18 2.37 5.08 -0.82 -1.11 114.58 119.66 1nkt h GLU 339 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1nkt h GLU 339 Cb 0.71 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1nkt h GLU 339 CO 0.02 0.05 0.07 0.00 -1.00 0.00 0.00 179.01 178.16 1nkt h ALA 340 N 1.71 0.23 -0.94 3.43 0.00 -0.72 -1.11 119.26 121.87 1nkt h ALA 340 Ca 0.40 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.36 1nkt h ALA 340 Cb 0.70 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1nkt h ALA 340 CO -0.68 -0.17 0.60 -0.22 0.00 0.00 0.00 179.25 178.78 1nkt h LYS 341 N 0.13 0.72 -0.63 0.00 3.64 -0.36 -1.19 116.57 118.88 1nkt h LYS 341 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1nkt h LYS 341 Cb 0.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1nkt h LYS 341 CO -0.00 0.47 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 1nkt n GLU 342 N -4.60 2.67 -3.90 1.90 -0.58 -0.50 -4.91 120.64 110.72 1nkt n GLU 342 Ca 0.19 -1.62 -0.31 0.00 -0.42 0.00 0.00 57.16 55.00 1nkt n GLU 342 Cb 0.49 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1nkt n GLU 342 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nkt n HIS 343 N 0.48 -1.66 -3.00 -0.32 8.25 -0.45 -4.94 115.22 113.58 1nkt n HIS 343 Ca 0.15 0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 57.83 1nkt n HIS 343 Cb 0.60 -2.55 -0.05 0.00 1.12 0.00 0.00 29.99 29.11 1nkt n HIS 343 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nkt s VAL 344 N -3.06 4.61 0.08 1.59 1.01 -0.47 -5.00 120.40 119.16 1nkt s VAL 344 Ca 0.61 1.62 -0.31 0.00 0.00 0.00 0.00 61.98 63.90 1nkt s VAL 344 Cb -0.34 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1nkt s VAL 344 CO 0.75 0.43 1.79 -1.61 0.00 0.00 0.00 175.10 176.46 1nkt s GLU 345 N -0.49 4.16 -0.81 2.72 8.01 -1.26 -4.57 118.70 126.45 1nkt s GLU 345 Ca 0.37 2.50 -0.23 0.00 0.01 0.00 0.00 54.97 57.61 1nkt s GLU 345 Cb -0.21 -3.72 0.06 0.00 -4.31 0.00 0.00 34.13 25.95 1nkt s GLU 345 CO 0.24 -0.83 1.21 -1.50 0.01 0.00 0.00 175.26 174.38 1nkt s ILE 346 N 3.09 4.10 0.14 -1.63 1.10 -1.26 -4.97 121.20 121.77 1nkt s ILE 346 Ca 0.80 -0.40 -0.31 0.00 -0.51 0.00 0.00 60.65 60.22 1nkt s ILE 346 Cb -0.43 -4.86 -0.11 0.00 0.15 0.00 0.00 42.46 37.21 1nkt s ILE 346 CO 0.36 -1.71 1.78 -1.59 -2.11 0.00 0.00 174.94 171.67 1nkt s LYS 347 N 4.60 4.14 0.04 3.50 0.00 -1.26 -4.95 119.74 125.80 1nkt s LYS 347 Ca 0.34 2.57 -0.30 0.00 0.00 0.00 0.00 55.97 58.58 1nkt s LYS 347 Cb -0.08 -3.44 -0.08 0.00 0.00 0.00 0.00 37.83 34.23 1nkt s LYS 347 CO 0.04 -0.80 1.66 0.00 0.00 0.00 0.00 175.35 176.24 1nkt s ALA 348 N 2.25 3.66 0.23 0.59 0.00 -1.26 -4.98 121.76 122.25 1nkt s ALA 348 Ca 0.78 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.90 1nkt s ALA 348 Cb -0.47 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1nkt s ALA 348 CO 0.35 -1.18 0.08 -1.21 0.00 0.00 0.00 175.76 173.80 1nkt s GLU 349 N 3.00 1.31 0.18 0.00 2.02 -1.26 -5.08 118.70 118.86 1nkt s GLU 349 Ca 0.74 -1.69 0.11 0.00 0.02 0.00 0.00 54.97 54.15 1nkt s GLU 349 Cb -0.38 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 1nkt s GLU 349 CO 0.32 -0.28 -0.23 -0.80 0.02 0.00 0.00 175.26 174.29 1nkt s ASN 350 N -3.26 3.29 0.24 -0.19 0.01 -1.26 -2.49 114.94 111.28 1nkt s ASN 350 Ca 0.35 -0.85 -0.13 0.00 -0.71 0.00 0.00 52.86 51.52 1nkt s ASN 350 Cb 0.07 -0.23 -0.00 0.00 0.41 0.00 0.00 41.25 41.50 1nkt s ASN 350 CO 0.11 0.10 0.48 0.00 -1.51 0.00 0.00 177.10 176.29 1nkt s GLN 351 N -2.61 1.53 0.22 -0.60 -2.07 0.11 -4.88 119.66 111.36 1nkt s GLN 351 Ca 0.19 -1.21 -0.30 0.00 -1.82 0.00 0.00 55.36 52.21 1nkt s GLN 351 Cb -0.08 0.47 -0.09 0.00 -1.09 0.00 0.00 33.01 32.22 1nkt s GLN 351 CO 0.09 -0.64 1.35 0.99 -1.32 0.00 0.00 175.29 175.76 1nkt s THR 352 N -4.00 3.02 -0.05 3.63 2.01 -1.26 -1.02 115.64 117.97 1nkt s THR 352 Ca 0.21 0.85 0.07 0.00 0.31 0.00 0.00 61.69 63.13 1nkt s THR 352 Cb -0.01 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 1nkt s THR 352 CO 0.08 0.13 0.09 0.18 -0.69 0.00 0.00 174.62 174.41 1nkt n LEU 353 N 2.48 0.00 -3.61 4.42 4.77 0.94 -4.64 117.00 121.36 1nkt n LEU 353 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1nkt n LEU 353 Cb 0.42 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1nkt n LEU 353 CO 0.59 0.11 0.43 0.00 -1.33 0.00 0.00 177.39 177.19 1nkt s ALA 354 N -2.33 -1.78 0.04 -1.18 0.00 -1.05 -4.99 121.76 110.46 1nkt s ALA 354 Ca -0.03 1.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.75 1nkt s ALA 354 Cb 0.03 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1nkt s ALA 354 CO 0.31 -0.34 0.20 0.99 0.00 0.00 0.00 175.76 176.93 1nkt s THR 355 N 0.13 0.11 -0.15 0.00 2.01 -1.26 -1.76 115.64 114.72 1nkt s THR 355 Ca -0.02 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 1nkt s THR 355 Cb -0.04 -0.91 0.06 0.00 0.01 0.00 0.00 72.50 71.62 1nkt s THR 355 CO 0.02 -0.48 0.63 -0.51 -0.69 0.00 0.00 174.62 173.59 1nkt s ILE 356 N -2.57 0.01 0.73 1.82 2.07 -1.14 -5.00 121.20 117.12 1nkt s ILE 356 Ca -0.05 -0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.03 1nkt s ILE 356 Cb -0.01 -0.91 0.03 0.00 0.13 0.00 0.00 42.46 41.70 1nkt s ILE 356 CO -0.04 -0.02 1.11 0.42 -1.91 0.00 0.00 174.94 174.49 1nkt s THR 357 N -0.37 3.29 0.41 4.00 -4.23 -1.26 -1.88 115.64 115.60 1nkt s THR 357 Ca -0.05 0.42 0.10 0.00 -1.18 0.00 0.00 61.69 60.98 1nkt s THR 357 Cb -0.03 -3.39 0.19 0.00 1.34 0.00 0.00 72.50 70.61 1nkt s THR 357 CO 0.05 -0.55 1.97 -0.07 -0.54 0.00 0.00 174.62 175.48 1nkt h LEU 358 N -0.74 0.22 0.67 4.79 3.38 -1.85 -1.08 115.31 120.70 1nkt h LEU 358 Ca -0.45 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1nkt h LEU 358 Cb 1.26 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1nkt h LEU 358 CO 0.64 0.32 -0.32 1.56 0.09 0.00 0.00 178.44 180.72 1nkt h GLN 359 N 0.23 -0.87 -0.08 1.13 7.50 -1.92 -0.16 115.11 120.94 1nkt h GLN 359 Ca 0.05 0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 1nkt h GLN 359 Cb 0.26 0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1nkt h GLN 359 CO 0.01 -0.55 0.02 -0.91 -1.50 0.00 0.00 178.83 175.91 1nkt h ASN 360 N -1.15 0.09 0.91 1.46 2.35 -1.95 -1.69 115.58 115.61 1nkt h ASN 360 Ca -0.09 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1nkt h ASN 360 Cb 0.72 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1nkt h ASN 360 CO 0.15 0.10 -0.44 0.22 -1.65 0.00 0.00 177.43 175.81 1nkt h TYR 361 N 0.11 -1.14 0.00 1.19 3.20 -0.87 -3.12 116.97 116.34 1nkt h TYR 361 Ca 0.03 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nkt h TYR 361 Cb 0.04 0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1nkt h TYR 361 CO 0.00 -0.70 0.00 0.74 -1.64 0.00 0.00 178.16 176.56 1nkt h PHE 362 N -1.27 0.00 0.00 -3.82 0.04 -0.85 -1.33 116.94 109.71 1nkt h PHE 362 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1nkt h PHE 362 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1nkt h PHE 362 CO -0.00 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.25 1nkt n ARG 363 N -2.40 0.04 0.08 1.51 1.74 -0.65 -3.10 116.66 113.87 1nkt n ARG 363 Ca 0.02 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1nkt n ARG 363 Cb 0.23 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1nkt n ARG 363 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1nkt h LEU 364 N 0.00 0.38 -9.98 0.55 3.38 -1.27 -3.46 115.31 104.91 1nkt h LEU 364 Ca 0.00 -0.31 -0.55 0.00 0.09 0.00 0.00 57.88 57.11 1nkt h LEU 364 Cb 0.27 -0.12 0.13 0.00 0.09 0.00 0.00 40.66 41.03 1nkt h LEU 364 CO 0.00 1.11 0.68 -1.22 0.09 0.00 0.00 178.44 179.09 1nkt n TYR 365 N -3.70 2.61 0.21 1.13 4.02 -1.18 -4.83 117.16 115.42 1nkt n TYR 365 Ca -0.05 0.44 0.06 0.00 -0.01 0.00 0.00 57.90 58.34 1nkt n TYR 365 Cb 0.82 -2.44 0.46 0.00 -0.02 0.00 0.00 39.34 38.16 1nkt n TYR 365 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1nkt h ASP 366 N 2.16 0.00 -3.60 7.72 3.32 -1.11 -3.43 116.42 121.49 1nkt h ASP 366 Ca -0.51 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.32 1nkt h ASP 366 Cb 1.28 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.53 1nkt h ASP 366 CO 0.60 0.28 -0.59 -0.75 -1.72 0.00 0.00 179.24 177.07 1nkt s LYS 367 N -4.20 0.12 0.01 3.56 2.20 -0.44 -5.02 119.74 115.97 1nkt s LYS 367 Ca -0.03 0.27 0.07 0.00 -0.36 0.00 0.00 55.97 55.93 1nkt s LYS 367 Cb 0.14 -0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1nkt s LYS 367 CO 0.69 -0.09 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.19 1nkt s LEU 368 N 0.64 2.09 0.00 5.43 2.96 -1.26 -1.62 118.68 126.92 1nkt s LEU 368 Ca -0.05 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1nkt s LEU 368 Cb -0.06 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1nkt s LEU 368 CO -0.03 0.24 0.38 0.00 -1.32 0.00 0.00 176.35 175.62 1nkt n ALA 369 N 2.28 -0.27 -3.60 5.97 0.00 0.12 -4.11 120.51 120.90 1nkt n ALA 369 Ca -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 53.44 52.01 1nkt n ALA 369 Cb 0.53 1.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.96 1nkt n ALA 369 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nkt s GLY 370 N -2.66 -0.33 0.04 0.00 0.00 -1.12 -0.58 107.32 102.66 1nkt s GLY 370 Ca 0.22 1.30 0.01 0.00 0.00 0.00 0.00 44.72 46.25 1nkt s GLY 370 CO 0.16 0.41 -0.05 1.06 0.00 0.00 0.00 173.10 174.68 1nkt s MET 371 N -2.51 0.46 -0.21 2.90 1.00 -0.40 -0.78 119.30 119.75 1nkt s MET 371 Ca 0.10 -0.81 -0.35 0.00 0.00 0.00 0.00 55.69 54.63 1nkt s MET 371 Cb 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 34.83 34.97 1nkt s MET 371 CO -0.05 -0.03 1.24 -0.08 0.00 0.00 0.00 175.02 176.10 1nkt s THR 372 N -2.04 0.00 -0.84 2.05 -1.32 -1.15 -1.38 115.64 110.96 1nkt s THR 372 Ca -0.08 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.67 1nkt s THR 372 Cb -0.06 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.19 1nkt s THR 372 CO -0.02 0.00 1.82 0.61 -2.21 0.00 0.00 174.62 174.81 1nkt n GLY 373 N 0.05 -1.61 2.72 6.08 0.00 -1.17 -0.63 105.19 110.63 1nkt n GLY 373 Ca 0.01 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1nkt n GLY 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nkt s THR 374 N -3.06 -0.33 0.00 2.61 -4.23 -1.26 -4.64 115.64 104.72 1nkt s THR 374 Ca 0.12 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1nkt s THR 374 Cb 0.15 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1nkt s THR 374 CO 0.58 -0.51 0.00 0.00 -0.54 0.00 0.00 174.62 174.15 1nkt n ALA 375 N 5.30 0.84 -0.24 3.99 0.00 -1.26 -4.66 120.51 124.48 1nkt n ALA 375 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.51 1nkt n ALA 375 Cb 0.46 0.02 0.37 0.00 0.00 0.00 0.00 19.45 20.29 1nkt n ALA 375 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nkt h GLN 376 N 0.00 0.70 0.00 0.00 1.08 -1.95 0.48 115.11 115.41 1nkt h GLN 376 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1nkt h GLN 376 Cb 0.06 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1nkt h GLN 376 CO 0.00 0.46 0.00 0.25 -0.95 0.00 0.00 178.83 178.59 1nkt n THR 377 N -4.53 1.05 0.04 -0.54 -2.24 -1.26 -1.96 114.28 104.85 1nkt n THR 377 Ca 0.15 0.34 0.08 0.00 -2.27 0.00 0.00 64.05 62.35 1nkt n THR 377 Cb 0.39 -1.23 0.16 0.00 -2.10 0.00 0.00 70.33 67.55 1nkt n THR 377 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nkt n GLU 378 N -1.92 2.28 -0.21 -0.78 -0.58 0.17 -4.77 120.64 114.82 1nkt n GLU 378 Ca 0.02 -1.99 -0.03 0.00 -0.42 0.00 0.00 57.16 54.74 1nkt n GLU 378 Cb 0.16 -1.34 0.08 0.00 -0.57 0.00 0.00 31.44 29.76 1nkt n GLU 378 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nkt h ALA 379 N 2.85 0.82 -0.94 0.62 0.00 -1.02 -0.67 119.26 120.92 1nkt h ALA 379 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1nkt h ALA 379 Cb 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1nkt h ALA 379 CO 0.00 0.06 0.62 0.00 0.00 0.00 0.00 179.25 179.92 1nkt h ALA 380 N 1.30 1.22 -0.08 0.00 0.00 -1.86 -1.41 119.26 118.43 1nkt h ALA 380 Ca 0.27 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 1nkt h ALA 380 Cb 0.11 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nkt h ALA 380 CO -0.15 0.53 -0.75 1.49 0.00 0.00 0.00 179.25 180.38 1nkt h GLU 381 N 1.23 0.66 -0.98 0.00 4.81 -1.54 -1.73 114.58 117.03 1nkt h GLU 381 Ca 0.36 -0.60 0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1nkt h GLU 381 Cb -0.07 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 1nkt h GLU 381 CO -0.10 1.21 0.62 -0.07 -0.73 0.00 0.00 179.01 179.94 1nkt h LEU 382 N 0.32 0.88 -0.04 1.64 3.38 -1.08 0.10 115.31 120.51 1nkt h LEU 382 Ca -0.07 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1nkt h LEU 382 Cb 1.40 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1nkt h LEU 382 CO 0.15 0.47 -0.35 -0.74 0.09 0.00 0.00 178.44 178.06 1nkt h HIS 383 N 0.95 0.43 -0.14 1.13 2.76 -1.12 -1.00 115.15 118.16 1nkt h HIS 383 Ca 0.49 -0.21 -0.23 0.00 -2.20 0.00 0.00 60.37 58.22 1nkt h HIS 383 Cb 0.51 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.43 1nkt h HIS 383 CO -0.00 0.97 -0.81 1.49 -1.30 0.00 0.00 177.93 178.28 1nkt h GLU 384 N -0.23 0.79 0.17 5.26 4.81 -1.10 -0.73 114.58 123.54 1nkt h GLU 384 Ca -0.03 -0.67 -0.26 0.00 -0.13 0.00 0.00 59.36 58.27 1nkt h GLU 384 Cb 1.04 0.15 0.03 0.00 0.63 0.00 0.00 28.75 30.59 1nkt h GLU 384 CO 0.07 1.27 -1.14 0.82 -0.73 0.00 0.00 179.01 179.30 1nkt h ILE 385 N 0.53 1.37 -0.00 2.32 1.08 -1.06 -3.39 117.51 118.35 1nkt h ILE 385 Ca -0.06 -2.54 0.00 0.00 -0.39 0.00 0.00 64.86 61.86 1nkt h ILE 385 Cb 1.44 2.99 0.00 0.00 -3.07 0.00 0.00 36.82 38.19 1nkt h ILE 385 CO 0.17 0.75 -0.01 -1.22 -0.69 0.00 0.00 178.15 177.14 1nkt n TYR 386 N -3.91 0.00 -2.73 1.37 4.01 -0.45 -4.98 117.16 110.47 1nkt n TYR 386 Ca -0.15 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.43 1nkt n TYR 386 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.98 1nkt n TYR 386 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1nkt n LYS 387 N -0.10 -2.75 -3.21 -0.72 4.76 -0.28 -4.97 118.16 110.89 1nkt n LYS 387 Ca 0.01 0.61 -0.39 0.00 -2.87 0.00 0.00 58.31 55.68 1nkt n LYS 387 Cb 0.05 -5.27 -0.05 0.00 -1.84 0.00 0.00 35.03 27.91 1nkt n LYS 387 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nkt s LEU 388 N -5.95 4.35 0.29 -0.35 1.43 -0.79 -4.92 118.68 112.74 1nkt s LEU 388 Ca 0.13 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1nkt s LEU 388 Cb -0.07 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1nkt s LEU 388 CO 0.16 0.02 0.49 -0.83 0.23 0.00 0.00 176.35 176.42 1nkt s GLY 389 N 0.30 1.50 -0.17 -3.19 0.00 -1.26 -2.99 107.32 101.51 1nkt s GLY 389 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1nkt s GLY 389 CO 0.15 -0.82 -0.16 0.14 0.00 0.00 0.00 173.10 172.41 1nkt s VAL 390 N -2.15 2.48 -0.21 1.40 1.01 -1.26 -0.35 120.40 121.32 1nkt s VAL 390 Ca 0.40 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1nkt s VAL 390 Cb -0.10 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1nkt s VAL 390 CO 0.33 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 175.16 1nkt s VAL 391 N 1.08 2.91 -0.59 2.92 1.01 -0.44 -4.89 120.40 122.41 1nkt s VAL 391 Ca -0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 1nkt s VAL 391 Cb -0.14 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1nkt s VAL 391 CO -0.05 0.46 1.11 -0.44 0.00 0.00 0.00 175.10 176.17 1nkt s SER 392 N 1.41 6.38 0.02 3.32 0.01 -1.26 -0.41 113.70 123.17 1nkt s SER 392 Ca 0.05 -0.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 1nkt s SER 392 Cb -0.14 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1nkt s SER 392 CO -0.07 -1.42 1.32 -0.63 0.41 0.00 0.00 173.24 172.85 1nkt s ILE 393 N 4.66 3.81 0.64 1.44 -1.09 -0.53 -4.96 121.20 125.16 1nkt s ILE 393 Ca 0.38 1.23 -0.18 0.00 -2.23 0.00 0.00 60.65 59.85 1nkt s ILE 393 Cb -0.09 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1nkt s ILE 393 CO 0.22 0.03 1.23 -0.81 -1.23 0.00 0.00 174.94 174.38 1nkt n PRO 394 N 4.81 1.09 -2.77 2.79 -0.04 -1.26 -4.78 135.00 134.84 1nkt n PRO 394 Ca 0.12 0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 1nkt n PRO 394 Cb 0.44 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 1nkt n PRO 394 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nkt s THR 395 N -1.41 4.18 0.09 0.52 -1.32 -1.26 -4.88 115.64 111.56 1nkt s THR 395 Ca 0.81 1.82 -0.24 0.00 -1.21 0.00 0.00 61.69 62.86 1nkt s THR 395 Cb -0.39 -4.01 -0.14 0.00 -1.51 0.00 0.00 72.50 66.44 1nkt s THR 395 CO 0.42 0.16 1.72 -1.13 -2.21 0.00 0.00 174.62 173.57 1nkt h ASN 396 N 3.20 -0.14 -2.85 8.08 -0.00 -1.96 -3.43 115.58 118.49 1nkt h ASN 396 Ca -0.47 0.01 -0.60 0.00 -0.00 0.00 0.00 56.30 55.24 1nkt h ASN 396 Cb 1.19 0.04 -0.10 0.00 -0.00 0.00 0.00 38.32 39.45 1nkt h ASN 396 CO 0.65 -0.09 -0.64 -0.04 -0.00 0.00 0.00 177.43 177.31 1nkt s MET 397 N -6.17 2.52 -0.03 6.67 -1.94 -1.26 -5.08 119.30 114.01 1nkt s MET 397 Ca -0.14 -1.05 -0.31 0.00 -1.71 0.00 0.00 55.69 52.49 1nkt s MET 397 Cb 0.06 -2.43 -0.09 0.00 2.01 0.00 0.00 34.83 34.38 1nkt s MET 397 CO 0.66 0.46 1.99 -0.35 -0.01 0.00 0.00 175.02 177.77 1nkt n PRO 398 N -0.15 2.59 -2.04 2.03 -0.04 -1.26 -4.53 135.00 131.60 1nkt n PRO 398 Ca -0.09 0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 63.87 1nkt n PRO 398 Cb 0.55 -2.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 1nkt n PRO 398 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1nkt s MET 399 N 4.63 4.25 -0.01 0.54 1.75 -1.26 -4.37 119.30 124.83 1nkt s MET 399 Ca 0.92 2.21 0.02 0.00 -1.25 0.00 0.00 55.69 57.58 1nkt s MET 399 Cb -0.49 -3.36 0.02 0.00 2.84 0.00 0.00 34.83 33.85 1nkt s MET 399 CO 0.44 -0.58 0.81 0.44 -0.65 0.00 0.00 175.02 175.47 1nkt n ILE 400 N 4.26 0.58 -1.89 10.11 -5.35 -1.26 -5.07 119.36 120.74 1nkt n ILE 400 Ca 0.14 -0.61 -0.41 0.00 -0.27 0.00 0.00 62.75 61.59 1nkt n ILE 400 Cb 0.41 0.64 -0.01 0.00 -1.74 0.00 0.00 39.64 38.94 1nkt n ILE 400 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1nkt s ARG 401 N -0.66 4.18 -0.45 6.28 3.52 -1.26 -4.63 118.95 125.93 1nkt s ARG 401 Ca 0.03 2.46 -0.17 0.00 -0.13 0.00 0.00 55.73 57.92 1nkt s ARG 401 Cb 0.02 -3.03 0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1nkt s ARG 401 CO 0.00 -0.48 0.47 -1.21 -0.81 0.00 0.00 175.30 173.27 1nkt s GLU 402 N -1.30 3.07 -0.49 5.12 0.41 0.10 -4.98 118.70 120.64 1nkt s GLU 402 Ca 0.56 -0.93 -0.24 0.00 -0.41 0.00 0.00 54.97 53.95 1nkt s GLU 402 Cb -0.45 -4.04 0.03 0.00 -1.78 0.00 0.00 34.13 27.90 1nkt s GLU 402 CO 0.54 -0.98 0.86 -0.51 -0.49 0.00 0.00 175.26 174.68 1nkt s ASP 403 N 2.20 6.40 0.58 -0.19 1.01 -1.26 -1.24 116.67 124.17 1nkt s ASP 403 Ca 0.11 -0.17 -0.16 0.00 0.71 0.00 0.00 52.55 53.04 1nkt s ASP 403 Cb -0.19 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1nkt s ASP 403 CO 0.11 -1.05 1.04 -1.10 0.21 0.00 0.00 175.17 174.39 1nkt s GLN 404 N 3.58 3.46 0.55 8.23 -1.52 -0.76 -4.97 119.66 128.23 1nkt s GLN 404 Ca 0.31 1.11 -0.16 0.00 -1.95 0.00 0.00 55.36 54.67 1nkt s GLN 404 Cb -0.12 -2.06 -0.06 0.00 -0.22 0.00 0.00 33.01 30.55 1nkt s GLN 404 CO 0.22 -0.68 1.01 -1.54 -0.25 0.00 0.00 175.29 174.05 1nkt s SER 405 N -2.96 6.30 0.60 5.90 1.04 -1.26 -4.70 113.70 118.62 1nkt s SER 405 Ca 0.62 1.66 -0.19 0.00 0.48 0.00 0.00 55.95 58.52 1nkt s SER 405 Cb -0.14 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 1nkt s SER 405 CO 0.37 -0.81 1.11 0.47 0.98 0.00 0.00 173.24 175.36 1nkt n ASP 406 N -1.77 1.39 -4.25 7.02 8.00 -1.26 -4.76 116.55 120.92 1nkt n ASP 406 Ca 0.07 0.84 -0.36 0.00 0.71 0.00 0.00 54.79 56.06 1nkt n ASP 406 Cb 0.54 -1.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.05 1nkt n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nkt s LEU 407 N -2.76 3.76 -0.17 0.64 1.43 -0.91 -5.01 118.68 115.66 1nkt s LEU 407 Ca 0.77 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1nkt s LEU 407 Cb -0.41 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1nkt s LEU 407 CO 0.46 -0.21 -0.01 -0.63 0.23 0.00 0.00 176.35 176.19 1nkt s ILE 408 N 1.38 4.12 0.11 -0.59 1.01 -1.26 0.11 121.20 126.09 1nkt s ILE 408 Ca -0.01 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.48 1nkt s ILE 408 Cb -0.18 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1nkt s ILE 408 CO -0.00 0.47 -0.26 -0.31 0.00 0.00 0.00 174.94 174.84 1nkt s TYR 409 N 0.47 2.33 0.33 3.97 2.02 0.75 -0.42 117.35 126.80 1nkt s TYR 409 Ca -0.02 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1nkt s TYR 409 Cb -0.14 -1.28 0.59 0.00 -0.40 0.00 0.00 41.96 40.73 1nkt s TYR 409 CO 0.02 0.31 1.97 0.87 -1.57 0.00 0.00 175.55 177.14 1nkt h LYS 410 N 4.03 0.91 -5.24 -0.62 1.57 -1.86 -0.97 116.57 114.39 1nkt h LYS 410 Ca -0.50 -0.05 -0.39 0.00 -1.87 0.00 0.00 60.65 57.83 1nkt h LYS 410 Cb 1.17 -0.21 -0.21 0.00 0.08 0.00 0.00 32.23 33.06 1nkt h LYS 410 CO 0.40 0.60 -0.77 0.95 -0.57 0.00 0.00 179.45 180.06 1nkt s THR 411 N -5.80 1.05 0.25 -0.16 -4.23 -1.26 -3.97 115.64 101.52 1nkt s THR 411 Ca -0.11 -1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1nkt s THR 411 Cb 0.19 -1.05 0.23 0.00 1.34 0.00 0.00 72.50 73.20 1nkt s THR 411 CO 0.78 -0.27 1.76 -0.33 -0.54 0.00 0.00 174.62 176.02 1nkt h GLU 412 N 4.24 0.57 -0.39 3.99 5.08 -1.88 -1.85 114.58 124.35 1nkt h GLU 412 Ca -0.40 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1nkt h GLU 412 Cb 1.19 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 1nkt h GLU 412 CO 0.41 0.38 -0.38 1.49 -1.00 0.00 0.00 179.01 179.91 1nkt h GLU 413 N 0.59 -0.29 -0.55 2.33 4.81 -1.99 0.20 114.58 119.69 1nkt h GLU 413 Ca 0.44 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.61 1nkt h GLU 413 Cb 0.60 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1nkt h GLU 413 CO -0.36 -0.19 0.02 0.00 -0.73 0.00 0.00 179.01 177.75 1nkt h ALA 414 N 0.57 1.01 -0.44 2.92 0.00 -1.77 -1.99 119.26 119.56 1nkt h ALA 414 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nkt h ALA 414 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1nkt h ALA 414 CO -0.55 0.61 0.27 -0.22 0.00 0.00 0.00 179.25 179.37 1nkt h LYS 415 N 0.85 0.59 -0.08 0.00 3.64 -0.53 -1.95 116.57 119.10 1nkt h LYS 415 Ca 0.16 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 1nkt h LYS 415 Cb 0.47 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1nkt h LYS 415 CO 0.02 0.42 -0.63 1.88 -2.27 0.00 0.00 179.45 178.88 1nkt h TYR 416 N 0.58 0.78 -0.27 1.91 0.05 -0.24 0.11 116.97 119.89 1nkt h TYR 416 Ca 0.16 -0.37 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 1nkt h TYR 416 Cb -0.02 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1nkt h TYR 416 CO -0.04 1.17 -0.03 -0.84 -1.05 0.00 0.00 178.16 177.38 1nkt h ILE 417 N 0.17 1.18 -0.68 -2.88 -2.65 -1.46 -0.29 117.51 110.89 1nkt h ILE 417 Ca -0.06 -0.74 0.01 0.00 1.03 0.00 0.00 64.86 65.10 1nkt h ILE 417 Cb 1.29 1.02 -0.04 0.00 -2.05 0.00 0.00 36.82 37.04 1nkt h ILE 417 CO 0.13 0.25 0.45 0.00 0.03 0.00 0.00 178.15 179.00 1nkt h ALA 418 N 1.57 0.87 0.24 0.16 0.00 -0.90 -2.50 119.26 118.70 1nkt h ALA 418 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nkt h ALA 418 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nkt h ALA 418 CO 0.01 0.27 -0.11 0.28 0.00 0.00 0.00 179.25 179.70 1nkt h VAL 419 N 0.91 0.82 -0.61 0.00 2.07 -0.38 -3.07 116.25 115.99 1nkt h VAL 419 Ca 0.26 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1nkt h VAL 419 Cb -0.08 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1nkt h VAL 419 CO -0.07 0.07 0.42 0.58 0.02 0.00 0.00 177.57 178.60 1nkt h VAL 420 N -0.49 0.79 -0.45 2.57 2.07 -0.95 -0.54 116.25 119.27 1nkt h VAL 420 Ca -0.03 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 1nkt h VAL 420 Cb 0.36 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1nkt h VAL 420 CO 0.05 0.04 -0.26 0.44 0.02 0.00 0.00 177.57 177.86 1nkt h ASP 421 N 0.23 0.99 0.63 0.57 3.32 -1.40 -1.34 116.42 119.42 1nkt h ASP 421 Ca 0.29 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1nkt h ASP 421 Cb 0.84 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1nkt h ASP 421 CO -0.06 1.18 -0.30 -0.78 -1.72 0.00 0.00 179.24 177.56 1nkt h ASP 422 N 0.81 -0.71 -0.58 6.45 1.82 -1.03 -2.51 116.42 120.67 1nkt h ASP 422 Ca 0.10 -0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.83 1nkt h ASP 422 Cb 0.84 0.18 -0.10 0.00 0.68 0.00 0.00 39.33 40.93 1nkt h ASP 422 CO 0.07 -0.38 -0.06 0.58 -1.61 0.00 0.00 179.24 177.84 1nkt h VAL 423 N -1.05 0.48 -0.95 2.25 2.07 -1.39 -0.05 116.25 117.61 1nkt h VAL 423 Ca -0.09 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1nkt h VAL 423 Cb 0.69 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1nkt h VAL 423 CO 0.14 0.01 0.60 0.00 0.02 0.00 0.00 177.57 178.34 1nkt h ALA 424 N 1.55 1.35 -0.08 1.67 0.00 -1.26 0.19 119.26 122.69 1nkt h ALA 424 Ca 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1nkt h ALA 424 Cb 0.46 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nkt h ALA 424 CO -0.54 0.32 -0.01 1.49 0.00 0.00 0.00 179.25 180.51 1nkt h GLU 425 N 1.05 0.15 -0.21 0.00 4.81 -0.69 -2.41 114.58 117.28 1nkt h GLU 425 Ca 0.43 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1nkt h GLU 425 Cb 0.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1nkt h GLU 425 CO -0.20 0.45 -0.01 0.00 -0.73 0.00 0.00 179.01 178.52 1nkt h ARG 426 N -0.17 0.05 -0.98 1.92 2.47 -0.64 -1.58 114.38 115.44 1nkt h ARG 426 Ca 0.02 -0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.82 1nkt h ARG 426 Cb 0.39 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.63 1nkt h ARG 426 CO 0.01 0.03 0.63 -0.92 0.56 0.00 0.00 179.97 180.28 1nkt h TYR 427 N 0.05 1.15 -0.21 3.04 3.20 -0.65 -0.64 116.97 122.90 1nkt h TYR 427 Ca 0.10 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 1nkt h TYR 427 Cb 0.13 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1nkt h TYR 427 CO -0.19 0.55 -0.42 0.00 -1.64 0.00 0.00 178.16 176.45 1nkt h ALA 428 N 1.50 0.87 0.00 1.82 0.00 -0.91 -1.81 119.26 120.72 1nkt h ALA 428 Ca 0.45 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nkt h ALA 428 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1nkt h ALA 428 CO -0.20 0.65 0.00 1.17 0.00 0.00 0.00 179.25 180.87 1nkt n LYS 429 N -4.02 0.02 0.00 0.00 0.00 -0.56 -4.91 118.16 108.69 1nkt n LYS 429 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1nkt n LYS 429 Cb 0.52 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 34.02 1nkt n LYS 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nkt n GLY 430 N 0.72 2.51 3.69 3.14 0.00 -0.35 -4.94 105.19 109.95 1nkt n GLY 430 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1nkt n GLY 430 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nkt n GLN 431 N -2.00 2.41 -2.51 1.61 7.27 -0.69 -0.31 117.38 123.15 1nkt n GLN 431 Ca 0.00 0.87 -0.38 0.00 0.07 0.00 0.00 57.00 57.56 1nkt n GLN 431 Cb 0.00 -2.67 -0.04 0.00 2.41 0.00 0.00 30.24 29.94 1nkt n GLN 431 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1nkt s PRO 432 N 1.05 4.38 -0.02 3.69 0.04 -1.26 -4.15 135.00 138.73 1nkt s PRO 432 Ca 0.77 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1nkt s PRO 432 Cb -0.61 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1nkt s PRO 432 CO 0.36 0.02 -0.20 0.08 0.04 0.00 0.00 177.00 177.29 1nkt s VAL 433 N -1.43 1.61 -0.26 -0.36 1.01 0.75 -1.67 120.40 120.06 1nkt s VAL 433 Ca 0.52 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1nkt s VAL 433 Cb -0.27 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1nkt s VAL 433 CO 0.34 0.46 0.01 -0.22 0.00 0.00 0.00 175.10 175.69 1nkt s LEU 434 N -0.39 3.38 -0.27 3.92 0.20 -0.41 -1.42 118.68 123.70 1nkt s LEU 434 Ca 0.06 -0.60 -0.06 0.00 0.69 0.00 0.00 54.13 54.21 1nkt s LEU 434 Cb -0.09 -1.80 -0.00 0.00 -0.43 0.00 0.00 46.19 43.88 1nkt s LEU 434 CO -0.00 -0.11 0.05 -0.63 -0.29 0.00 0.00 176.35 175.37 1nkt s ILE 435 N 1.47 3.88 -0.06 6.68 1.09 -0.00 -0.03 121.20 134.23 1nkt s ILE 435 Ca 0.03 -0.56 -0.14 0.00 -1.10 0.00 0.00 60.65 58.88 1nkt s ILE 435 Cb -0.16 -2.92 -0.05 0.00 -1.06 0.00 0.00 42.46 38.27 1nkt s ILE 435 CO -0.01 0.20 0.37 -0.83 -0.10 0.00 0.00 174.94 174.58 1nkt s GLY 436 N 1.51 2.38 0.00 6.18 0.00 0.78 -0.71 107.32 117.46 1nkt s GLY 436 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1nkt s GLY 436 CO 0.01 0.26 0.00 -1.30 0.00 0.00 0.00 173.10 172.08 1nkt n THR 437 N 2.50 0.00 -1.28 0.90 -2.24 -1.01 -1.36 114.28 111.79 1nkt n THR 437 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1nkt n THR 437 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1nkt n THR 437 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1nkt n THR 438 N 0.00 0.00 -3.63 4.28 5.66 -1.26 -2.88 114.28 116.44 1nkt n THR 438 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1nkt n THR 438 Cb 0.00 1.06 -0.07 0.00 -1.55 0.00 0.00 70.33 69.77 1nkt n THR 438 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nkt s SER 439 N 0.00 -0.49 0.29 1.09 1.04 -1.26 -4.66 113.70 109.71 1nkt s SER 439 Ca 0.00 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.08 1nkt s SER 439 Cb 0.00 0.61 0.70 0.00 0.10 0.00 0.00 66.02 67.43 1nkt s SER 439 CO 0.00 -0.46 1.76 0.58 0.98 0.00 0.00 173.24 176.09 1nkt h VAL 440 N 3.57 0.66 -0.07 5.02 2.07 -1.96 -1.67 116.25 123.87 1nkt h VAL 440 Ca -0.28 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1nkt h VAL 440 Cb 1.16 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1nkt h VAL 440 CO 0.34 0.12 -0.47 1.05 0.02 0.00 0.00 177.57 178.63 1nkt h GLU 441 N 0.66 0.17 -0.10 1.57 4.11 -1.99 -1.38 114.58 117.62 1nkt h GLU 441 Ca 0.55 -0.09 -0.22 0.00 0.07 0.00 0.00 59.36 59.68 1nkt h GLU 441 Cb 0.89 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1nkt h GLU 441 CO -0.41 0.61 -0.82 0.00 0.07 0.00 0.00 179.01 178.46 1nkt h ARG 442 N 0.14 0.63 -0.46 1.06 2.47 -1.74 -1.84 114.38 114.63 1nkt h ARG 442 Ca 0.01 -0.55 0.02 0.00 -1.26 0.00 0.00 59.98 58.20 1nkt h ARG 442 Cb 0.88 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.30 1nkt h ARG 442 CO 0.07 1.17 0.27 0.77 0.56 0.00 0.00 179.97 182.81 1nkt h SER 443 N 0.42 0.43 -0.36 7.04 0.02 -1.20 -0.79 113.55 119.10 1nkt h SER 443 Ca -0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1nkt h SER 443 Cb 1.43 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1nkt h SER 443 CO 0.16 0.30 0.21 -0.33 -1.14 0.00 0.00 176.83 176.03 1nkt h GLU 444 N 0.54 0.50 -0.67 3.45 3.07 -1.27 0.19 114.58 120.39 1nkt h GLU 444 Ca 0.19 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.05 1nkt h GLU 444 Cb 0.03 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 27.78 1nkt h GLU 444 CO -0.09 0.39 0.38 -0.92 -1.40 0.00 0.00 179.01 177.36 1nkt h TYR 445 N 0.47 0.70 -0.37 4.33 3.20 -1.01 0.02 116.97 124.31 1nkt h TYR 445 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1nkt h TYR 445 Cb 0.03 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1nkt h TYR 445 CO -0.03 0.34 0.10 1.25 -1.64 0.00 0.00 178.16 178.18 1nkt h LEU 446 N 0.70 0.55 -0.45 2.82 5.85 -0.86 -2.03 115.31 121.88 1nkt h LEU 446 Ca 0.30 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1nkt h LEU 446 Cb 0.17 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 1nkt h LEU 446 CO -0.18 0.62 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.14 1nkt h SER 447 N 0.44 -0.46 -0.43 1.25 0.87 -0.29 -0.03 113.55 114.91 1nkt h SER 447 Ca 0.12 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1nkt h SER 447 Cb 0.28 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1nkt h SER 447 CO -0.00 -0.16 0.28 0.03 -0.53 0.00 0.00 176.83 176.45 1nkt h ARG 448 N -0.02 0.50 0.57 2.24 3.08 -0.54 -0.57 114.38 119.63 1nkt h ARG 448 Ca 0.22 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1nkt h ARG 448 Cb 0.35 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1nkt h ARG 448 CO -0.48 0.33 -0.27 1.96 -1.07 0.00 0.00 179.97 180.44 1nkt h GLN 449 N 0.51 -0.73 -0.93 0.04 1.08 -0.66 -2.50 115.11 111.92 1nkt h GLN 449 Ca 0.17 0.05 0.19 0.00 -1.45 0.00 0.00 58.65 57.61 1nkt h GLN 449 Cb 0.04 0.17 -0.18 0.00 -0.05 0.00 0.00 27.48 27.46 1nkt h GLN 449 CO -0.04 -0.47 -0.21 0.74 -0.95 0.00 0.00 178.83 177.91 1nkt h PHE 450 N -1.17 -0.45 -0.10 2.96 0.04 -0.69 0.17 116.94 117.70 1nkt h PHE 450 Ca -0.08 0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1nkt h PHE 450 Cb 0.60 0.34 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 1nkt h PHE 450 CO 0.00 -0.40 -0.16 1.15 -0.60 0.00 0.00 178.31 178.31 1nkt h THR 451 N 0.00 0.59 0.00 -1.55 2.02 -1.17 -0.08 112.91 112.73 1nkt h THR 451 Ca 0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.63 1nkt h THR 451 Cb 0.72 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1nkt h THR 451 CO -0.95 0.00 -0.01 0.11 0.37 0.00 0.00 175.52 175.04 1nkt h LYS 452 N -0.21 0.00 -0.01 6.66 1.57 -0.29 -0.81 116.57 123.47 1nkt h LYS 452 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1nkt h LYS 452 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1nkt h LYS 452 CO -0.23 0.01 -0.05 0.54 -0.57 0.00 0.00 179.45 179.15 1nkt n ARG 453 N -3.88 1.46 -2.26 3.15 5.12 0.09 -4.95 116.66 115.40 1nkt n ARG 453 Ca -0.03 -0.83 -0.08 0.00 -1.93 0.00 0.00 57.85 54.99 1nkt n ARG 453 Cb 0.10 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1nkt n ARG 453 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1nkt n ARG 454 N -0.05 -0.94 -3.57 5.56 3.00 -0.31 -5.04 116.66 115.31 1nkt n ARG 454 Ca 0.18 0.35 -0.41 0.00 -0.00 0.00 0.00 57.85 57.97 1nkt n ARG 454 Cb 0.34 -4.18 -0.10 0.00 0.00 0.00 0.00 32.46 28.52 1nkt n ARG 454 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1nkt s ILE 455 N -2.49 4.48 0.41 5.15 1.01 -0.17 -5.01 121.20 124.60 1nkt s ILE 455 Ca 0.03 -1.19 -0.25 0.00 0.00 0.00 0.00 60.65 59.24 1nkt s ILE 455 Cb -0.01 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 1nkt s ILE 455 CO 0.04 -0.44 1.24 -2.16 0.00 0.00 0.00 174.94 173.62 1nkt s PRO 456 N 1.50 3.95 0.17 2.79 0.04 -1.26 -4.34 135.00 137.83 1nkt s PRO 456 Ca 0.03 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 62.83 1nkt s PRO 456 Cb -0.22 -2.68 0.07 0.00 0.04 0.00 0.00 34.50 31.71 1nkt s PRO 456 CO 0.04 -0.46 0.99 -3.38 0.04 0.00 0.00 177.00 174.23 1nkt s HIS 457 N -1.34 -0.04 0.03 0.56 -3.43 -1.26 -4.51 115.29 105.29 1nkt s HIS 457 Ca 0.58 -0.31 0.05 0.00 -0.80 0.00 0.00 55.06 54.58 1nkt s HIS 457 Cb -0.35 0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 1nkt s HIS 457 CO 0.44 -0.88 -0.15 -0.80 -2.00 0.00 0.00 174.74 171.35 1nkt s ASN 458 N -3.12 1.78 -0.27 7.38 -0.87 -0.88 -5.03 114.94 113.94 1nkt s ASN 458 Ca 0.16 -0.41 -0.10 0.00 -1.57 0.00 0.00 52.86 50.94 1nkt s ASN 458 Cb -0.02 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 1nkt s ASN 458 CO 0.04 0.09 0.16 -0.69 -2.57 0.00 0.00 177.10 174.12 1nkt s VAL 459 N -0.69 5.04 -0.33 1.60 1.01 -1.26 -0.60 120.40 125.16 1nkt s VAL 459 Ca 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1nkt s VAL 459 Cb -0.07 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1nkt s VAL 459 CO 0.01 0.28 0.13 -0.76 0.00 0.00 0.00 175.10 174.76 1nkt s LEU 460 N 1.67 4.22 -0.09 3.92 1.43 -0.08 -4.99 118.68 124.77 1nkt s LEU 460 Ca 0.07 -0.87 0.19 0.00 -1.03 0.00 0.00 54.13 52.48 1nkt s LEU 460 Cb -0.16 -1.93 0.67 0.00 0.03 0.00 0.00 46.19 44.81 1nkt s LEU 460 CO 0.09 -0.28 1.58 0.59 0.23 0.00 0.00 176.35 178.56 1nkt n ASN 461 N 4.90 4.45 -1.85 2.29 3.02 -1.26 -0.89 115.26 125.92 1nkt n ASN 461 Ca -0.13 -2.35 -0.16 0.00 -0.03 0.00 0.00 54.58 51.91 1nkt n ASN 461 Cb 0.47 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1nkt n ASN 461 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nkt n ALA 462 N 1.12 -0.49 -0.04 5.41 0.00 -1.26 -4.89 120.51 120.35 1nkt n ALA 462 Ca 0.24 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 1nkt n ALA 462 Cb 0.81 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1nkt n ALA 462 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nkt n LYS 463 N -2.58 0.31 -3.57 0.00 0.00 -1.26 -4.88 118.16 106.18 1nkt n LYS 463 Ca -0.18 0.13 -0.40 0.00 0.00 0.00 0.00 58.31 57.86 1nkt n LYS 463 Cb 0.64 -1.04 -0.08 0.00 0.00 0.00 0.00 35.03 34.55 1nkt n LYS 463 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1nkt s TYR 464 N -2.45 3.50 0.15 5.64 1.51 -1.26 -5.00 117.35 119.44 1nkt s TYR 464 Ca -0.18 -2.21 -0.16 0.00 -1.01 0.00 0.00 57.07 53.51 1nkt s TYR 464 Cb 0.04 -3.45 0.02 0.00 -0.11 0.00 0.00 41.96 38.46 1nkt s TYR 464 CO 0.26 -0.94 1.77 0.45 -1.11 0.00 0.00 175.55 175.98 1nkt h HIS 465 N 7.82 0.59 -0.31 2.71 3.86 -1.98 -1.10 115.15 126.73 1nkt h HIS 465 Ca -0.08 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1nkt h HIS 465 Cb 1.02 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1nkt h HIS 465 CO 0.74 0.43 0.03 1.49 0.86 0.00 0.00 177.93 181.48 1nkt h GLU 466 N 0.58 0.53 -0.68 2.45 4.81 -1.97 0.15 114.58 120.45 1nkt h GLU 466 Ca 0.16 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1nkt h GLU 466 Cb 0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1nkt h GLU 466 CO -0.03 0.64 0.36 1.96 -0.73 0.00 0.00 179.01 181.22 1nkt h GLN 467 N 0.35 0.94 -0.07 1.92 4.20 -1.97 -1.93 115.11 118.55 1nkt h GLN 467 Ca 0.09 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 1nkt h GLN 467 Cb 0.38 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1nkt h GLN 467 CO 0.01 0.70 -0.79 0.93 -0.67 0.00 0.00 178.83 179.01 1nkt h GLU 468 N 0.95 0.45 -0.02 1.46 5.08 -0.81 -2.76 114.58 118.92 1nkt h GLU 468 Ca 0.24 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1nkt h GLU 468 Cb 0.04 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1nkt h GLU 468 CO -0.04 1.04 -0.21 0.00 -1.00 0.00 0.00 179.01 178.80 1nkt h ALA 469 N 0.84 -0.26 -0.74 3.43 0.00 -0.55 -0.42 119.26 121.55 1nkt h ALA 469 Ca -0.05 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.04 1nkt h ALA 469 Cb 1.39 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.44 1nkt h ALA 469 CO 0.14 -0.70 0.06 1.15 0.00 0.00 0.00 179.25 179.90 1nkt h THR 470 N -0.33 0.39 -0.03 0.00 2.02 -1.15 0.15 112.91 113.97 1nkt h THR 470 Ca 0.07 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1nkt h THR 470 Cb 0.42 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1nkt h THR 470 CO -0.21 0.03 -0.02 0.40 0.37 0.00 0.00 175.52 176.08 1nkt h ILE 471 N 0.15 1.38 -0.61 3.11 2.04 -1.34 -3.28 117.51 118.96 1nkt h ILE 471 Ca 0.41 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1nkt h ILE 471 Cb 0.73 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1nkt h ILE 471 CO -0.62 0.31 0.34 -0.29 0.00 0.00 0.00 178.15 177.90 1nkt h ILE 472 N -0.40 1.18 -0.35 -0.67 6.09 0.11 -1.86 117.51 121.61 1nkt h ILE 472 Ca 0.00 -0.43 0.10 0.00 -1.37 0.00 0.00 64.86 63.16 1nkt h ILE 472 Cb 0.52 0.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 1nkt h ILE 472 CO 0.01 0.20 0.30 0.00 -3.07 0.00 0.00 178.15 175.58 1nkt h ALA 473 N 1.54 2.15 -0.39 0.18 0.00 -0.82 -1.21 119.26 120.71 1nkt h ALA 473 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nkt h ALA 473 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nkt h ALA 473 CO -0.04 -0.48 0.00 1.33 0.00 0.00 0.00 179.25 180.06 1nkt n VAL 474 N -4.07 2.07 0.29 0.00 0.24 -0.71 -1.71 118.33 114.44 1nkt n VAL 474 Ca 0.05 -1.55 0.17 0.00 -2.04 0.00 0.00 64.34 60.98 1nkt n VAL 474 Cb 0.47 -0.07 0.68 0.00 -1.47 0.00 0.00 33.84 33.46 1nkt n VAL 474 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nkt h ALA 475 N 2.55 1.00 -0.80 2.33 0.00 -1.12 -3.14 119.26 120.08 1nkt h ALA 475 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1nkt h ALA 475 Cb 1.41 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.96 1nkt h ALA 475 CO 0.23 0.00 0.68 0.41 0.00 0.00 0.00 179.25 180.56 1nkt n GLY 476 N 0.01 5.00 3.72 0.00 0.00 -1.26 -4.57 105.19 108.08 1nkt n GLY 476 Ca 0.01 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 1nkt n GLY 476 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nkt s ARG 477 N -3.00 2.61 0.36 1.61 1.81 -1.19 -0.64 118.95 120.51 1nkt s ARG 477 Ca 0.51 -1.03 -0.28 0.00 -1.72 0.00 0.00 55.73 53.21 1nkt s ARG 477 Cb 0.41 -2.47 -0.12 0.00 -0.45 0.00 0.00 34.95 32.32 1nkt s ARG 477 CO 0.01 0.46 1.35 0.54 -0.68 0.00 0.00 175.30 176.98 1nkt n ARG 478 N -0.29 2.29 -0.97 3.54 1.74 -1.26 -1.68 116.66 120.03 1nkt n ARG 478 Ca -0.09 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 1nkt n ARG 478 Cb 0.55 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1nkt n ARG 478 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nkt n GLY 479 N 0.66 0.95 3.68 -0.13 0.00 0.57 -4.97 105.19 105.95 1nkt n GLY 479 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1nkt n GLY 479 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nkt s GLY 480 N -1.97 1.84 -0.17 -0.02 0.00 -0.68 -4.95 107.32 101.36 1nkt s GLY 480 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 1nkt s GLY 480 CO 0.00 2.52 -0.04 0.14 0.00 0.00 0.00 173.10 175.72 1nkt s VAL 481 N 2.63 1.04 -0.16 1.40 1.01 -1.26 -0.18 120.40 124.89 1nkt s VAL 481 Ca 0.63 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1nkt s VAL 481 Cb -0.30 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 34.86 1nkt s VAL 481 CO 0.25 0.06 -0.00 -0.89 0.00 0.00 0.00 175.10 174.52 1nkt s THR 482 N 1.65 0.71 -0.15 3.92 2.01 -0.51 -2.07 115.64 121.21 1nkt s THR 482 Ca -0.00 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 1nkt s THR 482 Cb -0.16 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1nkt s THR 482 CO -0.07 0.02 0.51 -0.69 -0.69 0.00 0.00 174.62 173.70 1nkt s VAL 483 N 1.80 5.14 -0.26 3.82 1.01 0.23 -0.82 120.40 131.30 1nkt s VAL 483 Ca 0.01 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1nkt s VAL 483 Cb -0.15 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1nkt s VAL 483 CO -0.07 0.25 -0.03 0.00 0.00 0.00 0.00 175.10 175.25 1nkt s ALA 484 N 1.11 2.15 0.29 5.51 0.00 0.11 -0.91 121.76 130.03 1nkt s ALA 484 Ca 0.26 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.30 1nkt s ALA 484 Cb -0.15 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.31 1nkt s ALA 484 CO 0.10 -1.33 0.93 -0.08 0.00 0.00 0.00 175.76 175.39 1nkt s THR 485 N 1.30 4.18 0.00 0.00 -1.32 -0.07 -2.41 115.64 117.32 1nkt s THR 485 Ca -0.02 1.88 0.00 0.00 -1.21 0.00 0.00 61.69 62.35 1nkt s THR 485 Cb -0.19 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.70 1nkt s THR 485 CO -0.08 0.25 0.00 0.59 -2.21 0.00 0.00 174.62 173.16 1nkt n ASN 486 N 0.84 0.00 -2.61 8.08 3.02 -1.14 -1.55 115.26 121.89 1nkt n ASN 486 Ca 0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.21 1nkt n ASN 486 Cb 0.49 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1nkt n ASN 486 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nkt n MET 487 N 14.00 2.93 -1.42 3.52 2.81 -1.26 -4.79 117.12 132.92 1nkt n MET 487 Ca 0.00 -3.69 -0.43 0.00 -1.81 0.00 0.00 57.70 51.77 1nkt n MET 487 Cb 0.00 -2.27 -0.00 0.00 -0.71 0.00 0.00 33.22 30.23 1nkt n MET 487 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nkt n ALA 488 N -0.64 -2.02 -1.41 3.04 0.00 -0.60 -2.08 120.51 116.79 1nkt n ALA 488 Ca 0.53 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 54.11 1nkt n ALA 488 Cb 0.48 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1nkt n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 489 N 1.91 0.89 3.71 0.00 0.00 -1.26 -4.92 105.19 105.51 1nkt n GLY 489 Ca 0.13 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1nkt n GLY 489 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nkt n ARG 490 N -2.59 2.47 0.00 1.61 0.63 -0.88 -2.74 116.66 115.15 1nkt n ARG 490 Ca -0.09 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1nkt n ARG 490 Cb 0.34 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1nkt n ARG 490 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nkt n GLY 491 N 2.96 3.39 3.51 5.14 0.00 -1.26 -5.03 105.19 113.90 1nkt n GLY 491 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1nkt n GLY 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nkt s THR 492 N -2.92 5.25 0.18 2.61 2.01 -1.11 -5.06 115.64 116.59 1nkt s THR 492 Ca 0.00 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1nkt s THR 492 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1nkt s THR 492 CO 0.00 -0.12 1.30 -0.62 -0.69 0.00 0.00 174.62 174.49 1nkt s ASP 493 N 1.72 6.92 -1.19 3.53 2.15 -1.26 -4.82 116.67 123.72 1nkt s ASP 493 Ca 0.07 2.34 -0.11 0.00 0.43 0.00 0.00 52.55 55.29 1nkt s ASP 493 Cb -0.18 -2.60 0.21 0.00 -0.30 0.00 0.00 42.92 40.05 1nkt s ASP 493 CO 0.11 -0.52 1.45 -0.38 -0.17 0.00 0.00 175.17 175.66 1nkt n ILE 494 N 2.88 4.43 -2.38 4.11 5.41 -1.26 -4.58 119.36 127.96 1nkt n ILE 494 Ca 0.07 -4.91 -0.42 0.00 1.00 0.00 0.00 62.75 58.49 1nkt n ILE 494 Cb 0.43 -2.44 -0.03 0.00 -0.71 0.00 0.00 39.64 36.89 1nkt n ILE 494 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1nkt s VAL 495 N 0.38 3.91 0.14 1.39 1.01 -1.26 -4.71 120.40 121.25 1nkt s VAL 495 Ca 0.39 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 1nkt s VAL 495 Cb -0.02 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1nkt s VAL 495 CO -0.01 0.11 1.70 -0.76 0.00 0.00 0.00 175.10 176.14 1nkt s LEU 496 N 1.07 4.38 0.00 3.92 1.43 -1.26 -0.65 118.68 127.57 1nkt s LEU 496 Ca 0.60 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 1nkt s LEU 496 Cb -0.31 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1nkt s LEU 496 CO 0.29 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1nkt n GLY 497 N 4.00 2.68 0.00 -3.19 0.00 0.19 -4.40 105.19 104.47 1nkt n GLY 497 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1nkt n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkt n GLY 498 N 0.00 4.71 3.59 -0.02 0.00 0.18 -4.57 105.19 109.07 1nkt n GLY 498 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1nkt n GLY 498 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nkt s ASN 499 N 0.00 5.34 -0.01 1.61 3.84 -0.70 -4.71 114.94 120.32 1nkt s ASN 499 Ca 0.00 1.48 -0.23 0.00 0.21 0.00 0.00 52.86 54.32 1nkt s ASN 499 Cb 0.00 -2.51 -0.19 0.00 -0.55 0.00 0.00 41.25 38.00 1nkt s ASN 499 CO 0.00 -2.12 1.20 0.58 -2.79 0.00 0.00 177.10 173.98 1nkt h VAL 500 N 7.16 1.43 -0.22 -5.21 2.07 -1.94 -1.35 116.25 118.19 1nkt h VAL 500 Ca -0.35 -1.55 0.06 0.00 0.82 0.00 0.00 66.70 65.68 1nkt h VAL 500 Cb 1.22 2.28 -0.07 0.00 -1.52 0.00 0.00 31.29 33.21 1nkt h VAL 500 CO 1.03 0.43 -0.24 0.44 0.02 0.00 0.00 177.57 179.26 1nkt h ASP 501 N -0.28 -0.77 -0.70 0.57 3.32 -1.98 0.20 116.42 116.78 1nkt h ASP 501 Ca -0.00 0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.31 1nkt h ASP 501 Cb 0.79 0.36 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 1nkt h ASP 501 CO 0.04 -0.28 0.24 0.15 -1.72 0.00 0.00 179.24 177.67 1nkt h PHE 502 N -0.26 0.40 -0.12 4.55 3.57 -1.93 -0.97 116.94 122.18 1nkt h PHE 502 Ca 0.13 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 1nkt h PHE 502 Cb 0.46 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1nkt h PHE 502 CO -0.39 0.03 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.06 1nkt h LEU 503 N 0.38 0.45 -0.23 0.59 3.38 -0.56 -1.18 115.31 118.13 1nkt h LEU 503 Ca 0.38 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1nkt h LEU 503 Cb 0.57 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1nkt h LEU 503 CO -0.40 0.94 -0.15 0.74 0.09 0.00 0.00 178.44 179.65 1nkt h THR 504 N 0.29 1.31 0.07 0.22 2.02 0.14 -1.63 112.91 115.34 1nkt h THR 504 Ca -0.00 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 65.92 1nkt h THR 504 Cb 1.12 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1nkt h THR 504 CO 0.10 0.39 -0.09 -0.78 0.37 0.00 0.00 175.52 175.51 1nkt h ASP 505 N 0.20 -0.25 -0.96 4.18 3.58 -1.12 -1.65 116.42 120.40 1nkt h ASP 505 Ca 0.05 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.60 1nkt h ASP 505 Cb 0.67 0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.75 1nkt h ASP 505 CO 0.04 -0.14 0.62 -0.61 -2.88 0.00 0.00 179.24 176.27 1nkt h GLN 506 N -0.19 1.05 -0.13 0.28 4.15 -1.17 -0.46 115.11 118.65 1nkt h GLN 506 Ca 0.01 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.17 1nkt h GLN 506 Cb 0.20 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1nkt h GLN 506 CO -0.04 0.70 -0.73 -0.09 -1.93 0.00 0.00 178.83 176.74 1nkt h ARG 507 N 1.09 0.59 0.03 1.69 2.43 -1.09 -1.70 114.38 117.42 1nkt h ARG 507 Ca 0.42 -0.47 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nkt h ARG 507 Cb 0.23 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nkt h ARG 507 CO -0.17 1.09 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.30 1nkt h LEU 508 N 0.41 -0.04 -0.86 3.80 4.07 -0.77 -3.28 115.31 118.65 1nkt h LEU 508 Ca -0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1nkt h LEU 508 Cb 1.32 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 43.03 1nkt h LEU 508 CO 0.14 0.17 0.42 0.03 -1.08 0.00 0.00 178.44 178.11 1nkt h ARG 509 N -0.24 1.23 0.00 1.13 3.08 -1.04 -2.59 114.38 115.94 1nkt h ARG 509 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1nkt h ARG 509 Cb 0.22 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nkt h ARG 509 CO 0.01 0.94 0.00 -0.85 -1.07 0.00 0.00 179.97 178.99 1nkt n GLU 510 N -4.31 0.75 -0.18 0.04 0.28 -0.65 0.14 120.64 116.70 1nkt n GLU 510 Ca 0.09 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.17 1nkt n GLU 510 Cb 0.13 -1.16 0.18 0.00 1.43 0.00 0.00 31.44 32.03 1nkt n GLU 510 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1nkt n ARG 511 N -0.66 2.34 0.00 3.44 1.74 -0.98 -4.99 116.66 117.55 1nkt n ARG 511 Ca 0.06 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 1nkt n ARG 511 Cb 0.03 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1nkt n ARG 511 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nkt n GLY 512 N 1.07 0.72 3.93 -0.13 0.00 0.12 -5.07 105.19 105.83 1nkt n GLY 512 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1nkt n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkt s LEU 513 N 0.00 3.92 -0.21 0.99 1.43 -1.20 -4.96 118.68 118.65 1nkt s LEU 513 Ca 0.00 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 1nkt s LEU 513 Cb 0.00 -3.49 0.06 0.00 0.03 0.00 0.00 46.19 42.80 1nkt s LEU 513 CO 0.00 -0.36 0.52 -0.62 0.23 0.00 0.00 176.35 176.12 1nkt s ASP 514 N -3.96 -0.67 0.55 2.29 -1.08 -1.26 -4.16 116.67 108.39 1nkt s ASP 514 Ca 0.42 1.13 0.24 0.00 -0.52 0.00 0.00 52.55 53.82 1nkt s ASP 514 Cb -0.10 1.02 1.50 0.00 -1.46 0.00 0.00 42.92 43.88 1nkt s ASP 514 CO 0.38 -0.21 2.11 -0.65 0.52 0.00 0.00 175.17 177.31 1nkt h PRO 515 N 6.81 0.00 0.00 4.34 0.11 -1.91 0.81 132.00 142.16 1nkt h PRO 515 Ca -0.33 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.37 1nkt h PRO 515 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1nkt h PRO 515 CO 0.23 0.00 -2.41 0.28 -0.21 0.00 0.00 178.00 175.89 1nkt n VAL 516 N -4.16 1.40 0.13 3.15 0.31 -1.26 -3.98 118.33 113.92 1nkt n VAL 516 Ca 0.02 -0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1nkt n VAL 516 Cb 0.30 -1.65 0.16 0.00 -0.91 0.00 0.00 33.84 31.74 1nkt n VAL 516 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1nkt h GLU 517 N -0.55 0.00 -2.11 5.55 4.39 -1.95 -3.35 114.58 116.57 1nkt h GLU 517 Ca -0.61 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.57 1nkt h GLU 517 Cb 1.68 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.92 1nkt h GLU 517 CO -0.27 0.63 -0.99 0.25 -1.16 0.00 0.00 179.01 177.47 1nkt n THR 518 N -3.73 1.01 -0.02 1.13 -2.24 0.27 -4.95 114.28 105.75 1nkt n THR 518 Ca -0.01 -4.93 -0.10 0.00 -2.27 0.00 0.00 64.05 56.73 1nkt n THR 518 Cb 0.64 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1nkt n THR 518 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1nkt h PRO 519 N 3.05 0.17 -0.48 -0.78 0.13 -1.69 -0.90 132.00 131.51 1nkt h PRO 519 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1nkt h PRO 519 Cb 0.80 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1nkt h PRO 519 CO 0.62 0.11 0.30 0.93 -0.23 0.00 0.00 178.00 179.73 1nkt h GLU 520 N 0.18 0.64 -0.10 0.86 5.08 -1.91 -2.11 114.58 117.21 1nkt h GLU 520 Ca 0.05 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1nkt h GLU 520 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1nkt h GLU 520 CO -0.02 0.45 -0.67 0.93 -1.00 0.00 0.00 179.01 178.69 1nkt h GLU 521 N 0.64 0.42 0.01 2.33 3.07 -1.90 -1.21 114.58 117.95 1nkt h GLU 521 Ca 0.17 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1nkt h GLU 521 Cb -0.04 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1nkt h GLU 521 CO -0.03 0.94 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.59 1nkt h TYR 522 N 0.30 -0.01 -0.73 4.33 5.03 -0.89 -0.23 116.97 124.76 1nkt h TYR 522 Ca -0.02 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1nkt h TYR 522 Cb 1.23 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.48 1nkt h TYR 522 CO 0.04 0.08 0.40 0.93 -1.32 0.00 0.00 178.16 178.29 1nkt h GLU 523 N -0.10 1.02 -0.62 1.82 4.39 -1.27 0.23 114.58 120.05 1nkt h GLU 523 Ca -0.00 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1nkt h GLU 523 Cb 0.10 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1nkt h GLU 523 CO 0.00 0.77 0.28 0.00 -1.16 0.00 0.00 179.01 178.90 1nkt h ALA 524 N 1.20 0.80 -0.21 3.43 0.00 -1.04 -2.44 119.26 121.00 1nkt h ALA 524 Ca 0.26 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1nkt h ALA 524 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nkt h ALA 524 CO -0.04 0.38 -0.33 0.00 0.00 0.00 0.00 179.25 179.26 1nkt h ALA 525 N 1.12 1.05 0.30 0.00 0.00 -0.45 -2.91 119.26 118.36 1nkt h ALA 525 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1nkt h ALA 525 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nkt h ALA 525 CO -0.02 0.58 -0.14 2.35 0.00 0.00 0.00 179.25 182.02 1nkt h TRP 526 N 0.37 -0.37 -0.05 0.00 2.91 -0.59 -0.78 115.95 117.43 1nkt h TRP 526 Ca 0.04 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 1nkt h TRP 526 Cb 0.76 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1nkt h TRP 526 CO 0.02 -0.04 -0.05 0.45 -1.03 0.00 0.00 178.44 177.79 1nkt h HIS 527 N -0.74 0.07 -0.01 2.65 -0.00 -1.47 -0.93 115.15 114.72 1nkt h HIS 527 Ca -0.04 -0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.14 1nkt h HIS 527 Cb 0.50 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1nkt h HIS 527 CO 0.02 0.12 -0.74 1.03 -0.00 0.00 0.00 177.93 178.37 1nkt h SER 528 N 0.07 0.67 0.00 2.45 0.87 -1.45 -3.41 113.55 112.76 1nkt h SER 528 Ca 0.02 -0.74 -0.01 0.00 -1.23 0.00 0.00 61.79 59.83 1nkt h SER 528 Cb 0.13 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1nkt h SER 528 CO 0.01 1.32 -1.84 -0.62 -0.53 0.00 0.00 176.83 175.18 1nkt n GLU 529 N -4.10 0.56 -0.14 2.24 1.02 -0.31 -4.25 120.64 115.66 1nkt n GLU 529 Ca -0.10 -0.16 -0.07 0.00 -0.02 0.00 0.00 57.16 56.81 1nkt n GLU 529 Cb 0.74 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 1nkt n GLU 529 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nkt h LEU 530 N 0.00 -1.09 -1.24 -4.62 5.85 -1.39 -0.62 115.31 112.20 1nkt h LEU 530 Ca -0.01 0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.00 1nkt h LEU 530 Cb 0.85 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 1nkt h LEU 530 CO 0.00 -0.31 0.56 -0.65 -0.34 0.00 0.00 178.44 177.69 1nkt h PRO 531 N -0.22 0.83 0.68 5.25 0.11 -1.80 0.54 132.00 137.40 1nkt h PRO 531 Ca 0.19 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 1nkt h PRO 531 Cb 0.54 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.47 1nkt h PRO 531 CO -0.57 0.55 -0.33 0.82 -0.21 0.00 0.00 178.00 178.26 1nkt h ILE 532 N 0.86 0.26 -0.46 4.15 2.04 -1.47 -0.92 117.51 121.96 1nkt h ILE 532 Ca 0.39 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 66.19 1nkt h ILE 532 Cb 0.38 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 1nkt h ILE 532 CO -0.16 0.02 -0.18 0.58 0.00 0.00 0.00 178.15 178.41 1nkt h VAL 533 N -1.04 0.42 -0.93 1.67 2.07 -0.38 -1.93 116.25 116.12 1nkt h VAL 533 Ca -0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1nkt h VAL 533 Cb 0.73 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1nkt h VAL 533 CO 0.15 0.00 0.61 0.50 0.02 0.00 0.00 177.57 178.85 1nkt h LYS 534 N -0.08 1.13 -0.79 1.57 3.64 0.08 -0.42 116.57 121.71 1nkt h LYS 534 Ca 0.22 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1nkt h LYS 534 Cb 0.42 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1nkt h LYS 534 CO -0.52 0.75 0.41 1.49 -2.27 0.00 0.00 179.45 179.31 1nkt h GLU 535 N 1.17 1.12 0.11 1.90 4.81 -0.38 -3.29 114.58 120.01 1nkt h GLU 535 Ca 0.37 -0.14 -0.32 0.00 -0.13 0.00 0.00 59.36 59.14 1nkt h GLU 535 Cb 0.02 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1nkt h GLU 535 CO -0.13 0.84 -1.67 0.93 -0.73 0.00 0.00 179.01 178.26 1nkt h GLU 536 N 1.10 0.23 -7.10 1.92 5.08 -1.08 -3.14 114.58 111.60 1nkt h GLU 536 Ca 0.27 -0.40 -0.40 0.00 -1.00 0.00 0.00 59.36 57.83 1nkt h GLU 536 Cb 0.07 0.15 0.21 0.00 0.50 0.00 0.00 28.75 29.68 1nkt h GLU 536 CO -0.04 1.07 -0.06 0.00 -1.00 0.00 0.00 179.01 178.98 1nkt s ALA 537 N -2.60 -0.60 0.00 3.43 0.00 -0.20 -3.59 121.76 118.20 1nkt s ALA 537 Ca -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1nkt s ALA 537 Cb 0.07 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1nkt s ALA 537 CO 0.83 -4.27 0.00 0.45 0.00 0.00 0.00 175.76 172.77 1nkt n SER 538 N -5.32 0.00 0.17 0.00 2.88 -1.25 -4.01 113.62 106.09 1nkt n SER 538 Ca 0.09 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.76 1nkt n SER 538 Cb 0.58 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.46 1nkt n SER 538 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1nkt h LYS 539 N 0.00 0.00 0.13 -1.46 2.10 -1.69 -2.48 116.57 113.17 1nkt h LYS 539 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 1nkt h LYS 539 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1nkt h LYS 539 CO 0.00 0.00 -1.58 1.49 -2.00 0.00 0.00 179.45 177.36 1nkt h GLU 540 N 0.00 0.28 -0.51 0.07 4.57 -1.69 -3.31 114.58 113.99 1nkt h GLU 540 Ca 0.00 -0.48 0.10 0.00 -1.18 0.00 0.00 59.36 57.80 1nkt h GLU 540 Cb 0.67 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.36 1nkt h GLU 540 CO 0.00 1.15 -0.01 0.00 -1.18 0.00 0.00 179.01 178.97 1nkt h ALA 541 N 0.42 0.48 -0.78 2.92 0.00 -1.74 -2.27 119.26 118.29 1nkt h ALA 541 Ca -0.26 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1nkt h ALA 541 Cb 2.03 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 1nkt h ALA 541 CO 0.17 -0.39 0.51 0.87 0.00 0.00 0.00 179.25 180.41 1nkt h LYS 542 N 0.11 0.88 -0.16 0.00 1.57 -1.54 0.39 116.57 117.82 1nkt h LYS 542 Ca 0.26 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1nkt h LYS 542 Cb 0.39 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nkt h LYS 542 CO -0.43 0.59 -0.05 0.93 -0.57 0.00 0.00 179.45 179.91 1nkt h GLU 543 N 0.91 0.32 -0.03 3.15 4.39 -1.58 -2.68 114.58 119.07 1nkt h GLU 543 Ca 0.32 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 1nkt h GLU 543 Cb 0.12 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1nkt h GLU 543 CO -0.10 0.61 -0.11 0.28 -1.16 0.00 0.00 179.01 178.53 1nkt h VAL 544 N 0.02 1.10 -0.06 3.13 2.07 -0.55 -2.57 116.25 119.39 1nkt h VAL 544 Ca 0.04 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1nkt h VAL 544 Cb 0.50 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1nkt h VAL 544 CO 0.02 0.13 -0.04 0.40 0.02 0.00 0.00 177.57 178.09 1nkt h ILE 545 N 0.04 1.36 -1.04 4.57 2.04 -0.23 -0.56 117.51 123.69 1nkt h ILE 545 Ca 0.01 -1.15 0.27 0.00 1.00 0.00 0.00 64.86 64.99 1nkt h ILE 545 Cb 0.22 2.01 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 1nkt h ILE 545 CO 0.01 0.31 0.67 -0.33 0.00 0.00 0.00 178.15 178.82 1nkt h GLU 546 N -0.30 0.38 -0.05 2.37 4.39 -1.12 -0.41 114.58 119.83 1nkt h GLU 546 Ca 0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1nkt h GLU 546 Cb 0.53 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1nkt h GLU 546 CO 0.01 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 1nkt n ALA 547 N -2.48 2.59 0.00 3.43 0.00 -1.01 -4.88 120.51 118.16 1nkt n ALA 547 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1nkt n ALA 547 Cb 0.88 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1nkt n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 548 N 0.96 0.77 7.00 0.00 0.00 -0.17 -4.67 105.19 109.08 1nkt n GLY 548 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1nkt n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkt n GLY 549 N -1.56 -1.31 3.73 -0.02 0.00 -0.24 -2.49 105.19 103.30 1nkt n GLY 549 Ca 0.00 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1nkt n GLY 549 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nkt s LEU 550 N 0.00 4.41 -0.27 0.99 2.96 -1.26 -4.42 118.68 121.09 1nkt s LEU 550 Ca 0.00 2.27 -0.08 0.00 -0.22 0.00 0.00 54.13 56.10 1nkt s LEU 550 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1nkt s LEU 550 CO 0.00 -0.48 0.10 -0.47 -1.32 0.00 0.00 176.35 174.18 1nkt s TYR 551 N 0.34 3.12 -0.27 5.38 5.04 -0.67 -1.98 117.35 128.32 1nkt s TYR 551 Ca 0.57 -0.50 -0.10 0.00 -2.44 0.00 0.00 57.07 54.60 1nkt s TYR 551 Cb -0.34 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.65 1nkt s TYR 551 CO 0.35 -0.40 0.14 0.08 -1.34 0.00 0.00 175.55 174.38 1nkt s VAL 552 N 1.61 4.96 -0.32 3.14 1.01 -0.02 -1.28 120.40 129.50 1nkt s VAL 552 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1nkt s VAL 552 Cb -0.16 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.95 1nkt s VAL 552 CO 0.04 0.29 0.02 -0.22 0.00 0.00 0.00 175.10 175.23 1nkt s LEU 553 N 1.65 4.22 0.38 3.92 0.20 0.96 -0.28 118.68 129.72 1nkt s LEU 553 Ca 0.07 -1.63 -0.22 0.00 0.69 0.00 0.00 54.13 53.03 1nkt s LEU 553 Cb -0.15 -1.68 -0.10 0.00 -0.43 0.00 0.00 46.19 43.83 1nkt s LEU 553 CO 0.08 -0.32 0.92 -0.83 -0.29 0.00 0.00 176.35 175.91 1nkt s GLY 554 N 1.24 2.54 -0.02 7.98 0.00 0.15 -0.15 107.32 119.07 1nkt s GLY 554 Ca -0.00 0.41 0.13 0.00 0.00 0.00 0.00 44.72 45.26 1nkt s GLY 554 CO -0.04 0.74 0.31 2.41 0.00 0.00 0.00 173.10 176.52 1nkt n THR 555 N -0.14 0.00 -3.76 0.90 -1.04 -0.47 -0.74 114.28 109.05 1nkt n THR 555 Ca 0.05 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.05 61.72 1nkt n THR 555 Cb 0.52 0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 69.28 1nkt n THR 555 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1nkt s GLU 556 N -2.86 1.26 0.42 -2.82 -1.05 -1.24 -4.54 118.70 107.87 1nkt s GLU 556 Ca -0.04 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.02 1nkt s GLU 556 Cb 0.09 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 34.16 1nkt s GLU 556 CO 0.55 -0.57 0.75 1.03 0.95 0.00 0.00 175.26 177.96 1nkt s ARG 557 N -3.36 3.66 0.31 -4.83 0.52 -1.26 -4.98 118.95 109.01 1nkt s ARG 557 Ca 0.12 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.63 1nkt s ARG 557 Cb -0.02 -2.42 0.06 0.00 0.52 0.00 0.00 34.95 33.09 1nkt s ARG 557 CO 0.02 -0.07 0.43 0.72 0.02 0.00 0.00 175.30 176.42 1nkt n HIS 558 N -1.66 -3.05 0.66 -0.53 8.25 -1.26 -4.92 115.22 112.71 1nkt n HIS 558 Ca 0.01 -0.84 0.07 0.00 -0.26 0.00 0.00 57.72 56.70 1nkt n HIS 558 Cb 0.54 -0.31 0.36 0.00 1.12 0.00 0.00 29.99 31.70 1nkt n HIS 558 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1nkt n GLU 559 N -1.77 0.18 -3.71 -0.41 1.02 -1.26 -4.72 120.64 109.97 1nkt n GLU 559 Ca 0.07 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1nkt n GLU 559 Cb 0.27 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 1nkt n GLU 559 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nkt s SER 560 N -2.63 -0.24 0.28 1.62 1.04 -1.26 -3.65 113.70 108.86 1nkt s SER 560 Ca 0.13 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 1nkt s SER 560 Cb 0.10 0.38 0.44 0.00 0.10 0.00 0.00 66.02 67.03 1nkt s SER 560 CO 0.23 -0.59 1.92 -0.09 0.98 0.00 0.00 173.24 175.69 1nkt h ARG 561 N 3.30 1.11 -0.73 4.02 9.65 -1.93 -2.62 114.38 127.19 1nkt h ARG 561 Ca -0.31 -0.07 0.13 0.00 -1.10 0.00 0.00 59.98 58.64 1nkt h ARG 561 Cb 1.19 -0.25 -0.09 0.00 -1.39 0.00 0.00 29.97 29.43 1nkt h ARG 561 CO 0.43 0.74 0.28 -0.09 2.80 0.00 0.00 179.97 184.12 1nkt h ARG 562 N 1.14 0.42 -0.17 0.20 2.43 -1.98 -0.64 114.38 115.79 1nkt h ARG 562 Ca 0.37 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.37 1nkt h ARG 562 Cb 0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1nkt h ARG 562 CO -0.12 0.28 -0.52 0.82 -1.51 0.00 0.00 179.97 178.92 1nkt h ILE 563 N 0.43 1.33 -0.78 1.20 2.04 -1.88 0.05 117.51 119.89 1nkt h ILE 563 Ca 0.39 -1.76 0.06 0.00 1.00 0.00 0.00 64.86 64.55 1nkt h ILE 563 Cb 0.58 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1nkt h ILE 563 CO -0.39 0.54 0.46 0.44 0.00 0.00 0.00 178.15 179.21 1nkt h ASP 564 N 0.37 0.72 0.39 1.72 3.45 -1.11 -1.37 116.42 120.59 1nkt h ASP 564 Ca 0.01 0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.37 1nkt h ASP 564 Cb 1.03 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.67 1nkt h ASP 564 CO 0.09 0.46 -0.53 0.78 -1.57 0.00 0.00 179.24 178.47 1nkt h ASN 565 N 0.85 0.17 -0.68 6.45 2.35 -0.43 -1.65 115.58 122.64 1nkt h ASN 565 Ca 0.34 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1nkt h ASN 565 Cb 0.18 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1nkt h ASN 565 CO -0.18 0.68 0.43 1.56 -1.65 0.00 0.00 177.43 178.27 1nkt h GLN 566 N 0.12 0.91 -0.47 0.81 4.20 0.01 0.13 115.11 120.82 1nkt h GLN 566 Ca 0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1nkt h GLN 566 Cb 0.98 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1nkt h GLN 566 CO 0.08 0.62 0.13 1.25 -0.67 0.00 0.00 178.83 180.25 1nkt h LEU 567 N 0.93 0.70 -0.87 1.46 5.85 -0.91 -2.71 115.31 119.76 1nkt h LEU 567 Ca 0.25 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1nkt h LEU 567 Cb -0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1nkt h LEU 567 CO -0.05 0.74 0.40 0.03 -0.34 0.00 0.00 178.44 179.22 1nkt h ARG 568 N 0.64 1.22 0.00 1.25 3.08 -1.05 -2.96 114.38 116.56 1nkt h ARG 568 Ca 0.15 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nkt h ARG 568 Cb 0.29 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nkt h ARG 568 CO -0.00 0.94 0.00 0.41 -1.07 0.00 0.00 179.97 180.24 1nkt n GLY 569 N -1.01 -0.70 0.25 0.04 0.00 0.43 -2.51 105.19 101.70 1nkt n GLY 569 Ca 0.08 0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1nkt n GLY 569 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nkt h ARG 570 N 0.00 0.00 -6.32 1.61 2.47 -1.52 -3.42 114.38 107.20 1nkt h ARG 570 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1nkt h ARG 570 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1nkt h ARG 570 CO 0.00 0.05 -0.31 0.45 0.56 0.00 0.00 179.97 180.72 1nkt s SER 571 N -5.90 6.33 -1.15 7.04 0.15 -1.04 -4.64 113.70 114.49 1nkt s SER 571 Ca 0.02 0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 1nkt s SER 571 Cb 0.08 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.43 1nkt s SER 571 CO 0.59 -0.14 0.70 0.61 1.20 0.00 0.00 173.24 176.20 1nkt n GLY 572 N -1.29 -0.24 3.82 9.45 0.00 -1.26 -4.95 105.19 110.72 1nkt n GLY 572 Ca -0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1nkt n GLY 572 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nkt s ARG 573 N -5.74 4.01 -1.72 1.61 1.70 -1.26 -4.08 118.95 113.47 1nkt s ARG 573 Ca 0.35 1.14 0.00 0.00 -0.47 0.00 0.00 55.73 56.75 1nkt s ARG 573 Cb -0.15 -2.14 0.00 0.00 -0.57 0.00 0.00 34.95 32.09 1nkt s ARG 573 CO 0.43 -0.23 0.00 1.04 -1.08 0.00 0.00 175.30 175.47 1nkt n GLN 574 N -1.03 -1.67 -0.31 3.89 1.13 -1.26 -1.75 117.38 116.38 1nkt n GLN 574 Ca 0.07 0.96 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 1nkt n GLN 574 Cb 0.54 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 25.40 1nkt n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nkt n GLY 575 N -0.71 0.71 3.76 1.08 0.00 -1.26 -4.74 105.19 104.03 1nkt n GLY 575 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1nkt n GLY 575 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkt s ASP 576 N -2.71 5.47 0.90 1.61 1.01 -0.72 -4.72 116.67 117.52 1nkt s ASP 576 Ca 0.00 2.49 -0.10 0.00 0.71 0.00 0.00 52.55 55.65 1nkt s ASP 576 Cb 0.00 -2.61 0.14 0.00 1.01 0.00 0.00 42.92 41.45 1nkt s ASP 576 CO 0.00 -1.41 1.14 -2.16 0.21 0.00 0.00 175.17 172.96 1nkt s PRO 577 N -3.02 1.15 0.00 8.23 0.04 -1.26 -4.30 135.00 135.83 1nkt s PRO 577 Ca 0.72 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1nkt s PRO 577 Cb -0.33 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1nkt s PRO 577 CO 0.38 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1nkt n GLY 578 N 0.09 1.47 2.89 0.56 0.00 -1.04 -4.04 105.19 105.12 1nkt n GLY 578 Ca 0.12 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1nkt n GLY 578 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nkt s GLU 579 N -2.00 0.08 0.22 1.61 2.12 -0.84 -0.72 118.70 119.17 1nkt s GLU 579 Ca 0.00 -0.04 0.10 0.00 0.36 0.00 0.00 54.97 55.39 1nkt s GLU 579 Cb 0.00 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.27 1nkt s GLU 579 CO 0.00 0.02 -0.18 -1.54 -0.54 0.00 0.00 175.26 173.02 1nkt s SER 580 N -0.04 3.01 -0.28 -1.70 1.04 -0.38 -0.84 113.70 114.51 1nkt s SER 580 Ca 0.00 -0.96 -0.23 0.00 0.48 0.00 0.00 55.95 55.24 1nkt s SER 580 Cb -0.00 -0.21 0.13 0.00 0.10 0.00 0.00 66.02 66.04 1nkt s SER 580 CO -0.00 -0.04 1.05 -0.60 0.98 0.00 0.00 173.24 174.63 1nkt s ARG 581 N -3.27 0.45 0.08 4.02 3.52 0.61 -1.83 118.95 122.53 1nkt s ARG 581 Ca 0.23 0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 56.37 1nkt s ARG 581 Cb -0.04 0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1nkt s ARG 581 CO 0.10 -0.06 0.30 -0.06 -0.81 0.00 0.00 175.30 174.77 1nkt s PHE 582 N 0.46 3.52 -0.16 5.12 0.40 -1.26 -0.67 117.98 125.39 1nkt s PHE 582 Ca 0.01 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 1nkt s PHE 582 Cb -0.05 -1.94 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 1nkt s PHE 582 CO -0.09 0.53 -0.15 0.71 0.70 0.00 0.00 175.22 176.92 1nkt s TYR 583 N -1.51 2.78 0.24 0.36 1.51 0.09 -2.14 117.35 118.68 1nkt s TYR 583 Ca 0.35 -1.07 0.10 0.00 -1.01 0.00 0.00 57.07 55.44 1nkt s TYR 583 Cb -0.13 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1nkt s TYR 583 CO 0.23 -0.50 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.49 1nkt s LEU 584 N 0.86 2.56 0.03 -1.29 1.43 0.12 -3.70 118.68 118.69 1nkt s LEU 584 Ca -0.04 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1nkt s LEU 584 Cb -0.15 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1nkt s LEU 584 CO -0.01 -0.06 -0.05 -0.94 0.23 0.00 0.00 176.35 175.52 1nkt s SER 585 N -3.36 0.52 0.00 2.29 1.04 -1.26 -0.18 113.70 112.75 1nkt s SER 585 Ca 0.26 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1nkt s SER 585 Cb -0.03 0.08 0.12 0.00 0.10 0.00 0.00 66.02 66.28 1nkt s SER 585 CO 0.11 -0.27 0.96 0.18 0.98 0.00 0.00 173.24 175.20 1nkt n LEU 586 N 1.48 0.00 -0.57 2.42 4.77 -0.37 -1.25 117.00 123.48 1nkt n LEU 586 Ca -0.23 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1nkt n LEU 586 Cb 0.55 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1nkt n LEU 586 CO 0.21 -0.34 0.36 0.61 -1.33 0.00 0.00 177.39 176.90 1nkt n GLY 587 N -1.14 0.21 3.72 -0.72 0.00 -1.26 -3.97 105.19 102.03 1nkt n GLY 587 Ca 0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1nkt n GLY 587 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkt s ASP 588 N -2.30 4.14 0.20 1.61 1.01 -0.38 -4.62 116.67 116.32 1nkt s ASP 588 Ca 0.20 2.32 -0.13 0.00 0.71 0.00 0.00 52.55 55.64 1nkt s ASP 588 Cb 0.18 -2.58 0.23 0.00 1.01 0.00 0.00 42.92 41.75 1nkt s ASP 588 CO 0.50 -2.30 1.65 -0.08 0.21 0.00 0.00 175.17 175.14 1nkt h GLU 589 N -0.43 0.03 -0.38 8.23 4.81 -1.95 0.06 114.58 124.97 1nkt h GLU 589 Ca -0.47 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1nkt h GLU 589 Cb 1.29 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.58 1nkt h GLU 589 CO 0.49 0.02 -0.16 1.25 -0.73 0.00 0.00 179.01 179.89 1nkt h LEU 590 N 0.04 -0.54 -0.19 1.64 5.85 -1.91 -2.83 115.31 117.36 1nkt h LEU 590 Ca 0.29 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 59.03 1nkt h LEU 590 Cb 0.45 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1nkt h LEU 590 CO -0.57 -0.19 -0.32 0.24 -0.34 0.00 0.00 178.44 177.26 1nkt h MET 591 N -0.09 0.56 -0.07 1.25 2.86 -1.59 -2.87 114.93 114.98 1nkt h MET 591 Ca 0.19 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1nkt h MET 591 Cb 0.37 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1nkt h MET 591 CO -0.44 0.95 0.27 0.00 1.06 0.00 0.00 176.91 178.75 1nkt h ARG 592 N 0.22 0.00 -0.00 1.72 3.08 -0.89 0.37 114.38 118.88 1nkt h ARG 592 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1nkt h ARG 592 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1nkt h ARG 592 CO 0.07 0.00 -0.03 -2.13 -1.07 0.00 0.00 179.97 176.81 1nkt n ARG 593 N -3.13 0.40 0.00 0.04 0.63 -1.08 -4.78 116.66 108.74 1nkt n ARG 593 Ca -0.01 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1nkt n ARG 593 Cb 0.34 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1nkt n ARG 593 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1nkt n PHE 594 N -1.27 0.00 -0.12 -0.14 3.72 0.13 -5.07 117.46 114.70 1nkt n PHE 594 Ca 0.13 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.58 1nkt n PHE 594 Cb 0.26 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.94 1nkt n PHE 594 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1nkt n ASN 595 N 0.00 2.79 -0.29 4.37 6.94 -1.09 -4.71 115.26 123.27 1nkt n ASN 595 Ca 0.00 -1.96 0.11 0.00 -0.02 0.00 0.00 54.58 52.71 1nkt n ASN 595 Cb 0.00 -0.20 0.26 0.00 -2.36 0.00 0.00 39.78 37.48 1nkt n ASN 595 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1nkt h GLY 596 N 1.87 1.30 0.46 4.83 0.00 -1.70 -0.64 103.07 109.20 1nkt h GLY 596 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1nkt h GLY 596 CO 0.00 -0.31 0.15 0.00 0.00 0.00 0.00 176.54 176.37 1nkt h ALA 597 N 1.73 0.59 -0.26 3.60 0.00 -1.84 -0.95 119.26 122.13 1nkt h ALA 597 Ca 0.52 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 1nkt h ALA 597 Cb 1.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1nkt h ALA 597 CO -0.61 -0.25 0.06 0.00 0.00 0.00 0.00 179.25 178.45 1nkt h ALA 598 N 1.35 0.35 -0.97 0.00 0.00 -1.49 -2.35 119.26 116.16 1nkt h ALA 598 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nkt h ALA 598 Cb 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1nkt h ALA 598 CO -0.27 0.00 0.64 -0.07 0.00 0.00 0.00 179.25 179.55 1nkt h LEU 599 N 0.26 1.08 -0.23 0.00 4.07 -1.09 -0.86 115.31 118.54 1nkt h LEU 599 Ca 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1nkt h LEU 599 Cb 0.28 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1nkt h LEU 599 CO 0.00 0.77 -0.03 1.05 -1.08 0.00 0.00 178.44 179.15 1nkt h GLU 600 N 1.27 0.42 0.00 1.13 -0.00 -0.89 0.12 114.58 116.63 1nkt h GLU 600 Ca 0.37 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.36 59.56 1nkt h GLU 600 Cb -0.08 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.64 1nkt h GLU 600 CO -0.10 0.63 -0.09 1.79 -0.00 0.00 0.00 179.01 181.25 1nkt h THR 601 N 0.17 0.19 0.46 -1.06 1.35 -1.22 0.25 112.91 113.05 1nkt h THR 601 Ca 0.06 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 1nkt h THR 601 Cb 0.46 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1nkt h THR 601 CO 0.02 0.09 -0.22 0.25 -0.25 0.00 0.00 175.52 175.40 1nkt h LEU 602 N 0.00 -0.52 -0.81 3.87 5.85 -0.99 -2.75 115.31 119.96 1nkt h LEU 602 Ca -0.00 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1nkt h LEU 602 Cb 0.78 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 1nkt h LEU 602 CO 0.01 -0.22 0.33 -0.07 -0.34 0.00 0.00 178.44 178.15 1nkt h LEU 603 N -0.92 0.29 -0.66 2.25 4.07 -0.50 0.24 115.31 120.08 1nkt h LEU 603 Ca -0.06 0.13 0.08 0.00 0.08 0.00 0.00 57.88 58.10 1nkt h LEU 603 Cb 0.47 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.26 1nkt h LEU 603 CO 0.10 0.07 0.33 0.74 -1.08 0.00 0.00 178.44 178.60 1nkt h THR 604 N 0.43 0.88 -0.17 0.22 2.02 -0.58 -1.63 112.91 114.08 1nkt h THR 604 Ca 0.47 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.39 1nkt h THR 604 Cb 0.78 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1nkt h THR 604 CO -0.46 0.11 -0.17 -0.09 0.37 0.00 0.00 175.52 175.28 1nkt h ARG 605 N 0.59 0.28 0.00 6.66 2.43 -0.24 -0.35 114.38 123.74 1nkt h ARG 605 Ca 0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1nkt h ARG 605 Cb 0.30 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1nkt h ARG 605 CO -0.24 0.45 0.00 1.28 -1.51 0.00 0.00 179.97 179.95 1nkt n LEU 606 N -4.23 0.00 -1.53 3.80 4.77 -0.64 -4.88 117.00 114.29 1nkt n LEU 606 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1nkt n LEU 606 Cb 0.31 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1nkt n LEU 606 CO 0.39 0.00 -0.19 0.59 -1.33 0.00 0.00 177.39 176.85 1nkt n ASN 607 N -0.70 -5.52 -4.68 -1.43 3.02 -0.14 -4.95 115.26 100.87 1nkt n ASN 607 Ca 0.08 0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 54.70 1nkt n ASN 607 Cb 0.04 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.40 1nkt n ASN 607 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1nkt s LEU 608 N -4.55 4.33 1.10 3.41 2.96 -1.15 -5.00 118.68 119.79 1nkt s LEU 608 Ca 0.00 2.27 -0.13 0.00 -0.22 0.00 0.00 54.13 56.06 1nkt s LEU 608 Cb 0.00 -3.55 0.25 0.00 0.50 0.00 0.00 46.19 43.39 1nkt s LEU 608 CO 0.00 -0.86 1.05 -2.84 -1.32 0.00 0.00 176.35 172.38 1nkt s PRO 609 N 3.24 -0.43 0.10 0.98 0.02 -1.26 -4.64 135.00 133.00 1nkt s PRO 609 Ca 0.71 0.76 -0.03 0.00 0.02 0.00 0.00 61.00 62.46 1nkt s PRO 609 Cb -0.35 -1.62 -0.22 0.00 0.02 0.00 0.00 34.50 32.34 1nkt s PRO 609 CO 0.29 -3.38 1.20 -0.44 -0.33 0.00 0.00 177.00 174.35 1nkt h ASP 610 N -2.37 0.40 0.79 2.53 3.32 -2.01 -3.26 116.42 115.82 1nkt h ASP 610 Ca -0.59 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.06 1nkt h ASP 610 Cb 1.33 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1nkt h ASP 610 CO 0.52 1.28 0.00 -0.90 -1.72 0.00 0.00 179.24 178.42 1nkt n ASP 611 N -3.57 0.00 -4.67 6.45 5.75 -1.26 -4.30 116.55 114.94 1nkt n ASP 611 Ca -0.07 0.34 -0.43 0.00 -0.01 0.00 0.00 54.79 54.62 1nkt n ASP 611 Cb 0.96 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 1nkt n ASP 611 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nkt s VAL 612 N -2.88 4.38 0.10 2.12 1.01 -1.23 -4.99 120.40 118.89 1nkt s VAL 612 Ca 0.16 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 1nkt s VAL 612 Cb 0.17 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1nkt s VAL 612 CO 0.46 -0.11 1.50 -2.84 0.00 0.00 0.00 175.10 174.11 1nkt s PRO 613 N 3.06 4.26 -0.25 2.72 0.02 -1.26 -4.75 135.00 138.80 1nkt s PRO 613 Ca 0.53 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 1nkt s PRO 613 Cb -0.21 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 30.95 1nkt s PRO 613 CO 0.15 -0.57 1.31 0.42 -0.33 0.00 0.00 177.00 177.97 1nkt s ILE 614 N 1.68 4.16 -0.68 2.83 1.01 0.44 -4.91 121.20 125.73 1nkt s ILE 614 Ca 0.68 1.35 0.05 0.00 0.00 0.00 0.00 60.65 62.73 1nkt s ILE 614 Cb -0.38 -4.07 0.17 0.00 0.01 0.00 0.00 42.46 38.18 1nkt s ILE 614 CO 0.30 -0.34 0.49 -1.61 0.00 0.00 0.00 174.94 173.78 1nkt s GLU 615 N 3.97 2.35 -0.07 2.79 0.41 -1.26 -4.54 118.70 122.34 1nkt s GLU 615 Ca 0.57 -3.26 -0.00 0.00 -0.41 0.00 0.00 54.97 51.86 1nkt s GLU 615 Cb -0.19 -3.26 0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1nkt s GLU 615 CO 0.20 -1.30 -0.02 0.00 -0.49 0.00 0.00 175.26 173.66 1nkt s ALA 616 N -1.36 0.75 0.58 5.21 0.00 -1.26 -5.02 121.76 120.66 1nkt s ALA 616 Ca 0.26 -0.14 0.33 0.00 0.00 0.00 0.00 51.96 52.40 1nkt s ALA 616 Cb -0.03 -0.65 1.38 0.00 0.00 0.00 0.00 23.12 23.82 1nkt s ALA 616 CO -0.17 -0.31 1.69 0.87 0.00 0.00 0.00 175.76 177.84 1nkt h LYS 617 N 7.93 0.00 -0.25 0.00 6.56 -1.98 0.35 116.57 129.17 1nkt h LYS 617 Ca -0.27 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.23 1nkt h LYS 617 Cb 1.13 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1nkt h LYS 617 CO 0.35 0.00 -0.21 1.98 -2.06 0.00 0.00 179.45 179.51 1nkt h MET 618 N 0.00 0.59 0.05 3.15 4.05 -1.99 -2.37 114.93 118.41 1nkt h MET 618 Ca 0.45 -0.29 -0.23 0.00 -0.28 0.00 0.00 59.70 59.35 1nkt h MET 618 Cb 2.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.97 1nkt h MET 618 CO -0.00 0.88 -1.05 0.28 0.23 0.00 0.00 176.91 177.25 1nkt h VAL 619 N 0.30 1.57 -0.12 -5.77 2.07 -0.80 -1.74 116.25 111.77 1nkt h VAL 619 Ca 0.05 -3.04 -0.00 0.00 0.82 0.00 0.00 66.70 64.53 1nkt h VAL 619 Cb 0.75 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1nkt h VAL 619 CO 0.05 0.88 0.07 0.74 0.02 0.00 0.00 177.57 179.33 1nkt h THR 620 N 0.06 1.07 -0.68 2.57 2.02 -1.22 -2.59 112.91 114.15 1nkt h THR 620 Ca -0.07 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1nkt h THR 620 Cb 1.76 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 1nkt h THR 620 CO 0.16 0.07 0.40 -0.09 0.37 0.00 0.00 175.52 176.42 1nkt h ARG 621 N 0.11 0.74 -0.62 6.66 2.43 -1.38 -2.28 114.38 120.03 1nkt h ARG 621 Ca 0.04 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1nkt h ARG 621 Cb 0.05 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1nkt h ARG 621 CO -0.01 0.49 0.39 0.00 -1.51 0.00 0.00 179.97 179.33 1nkt h ALA 622 N 1.32 0.80 0.01 2.80 0.00 -1.23 0.51 119.26 123.48 1nkt h ALA 622 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nkt h ALA 622 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nkt h ALA 622 CO -0.15 0.16 -0.00 0.82 0.00 0.00 0.00 179.25 180.08 1nkt h ILE 623 N 0.78 1.27 -0.78 0.00 2.04 -1.24 -0.08 117.51 119.49 1nkt h ILE 623 Ca 0.24 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.35 1nkt h ILE 623 Cb -0.01 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 1nkt h ILE 623 CO -0.09 0.22 0.43 0.50 0.00 0.00 0.00 178.15 179.21 1nkt h LYS 624 N -0.38 0.72 -0.20 2.37 1.63 -1.29 -2.45 116.57 116.97 1nkt h LYS 624 Ca -0.00 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 1nkt h LYS 624 Cb 0.37 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1nkt h LYS 624 CO 0.00 0.47 -0.44 1.03 -3.45 0.00 0.00 179.45 177.07 1nkt h SER 625 N 0.74 0.51 0.07 4.20 0.87 -0.70 0.14 113.55 119.37 1nkt h SER 625 Ca 0.38 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1nkt h SER 625 Cb 0.35 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1nkt h SER 625 CO -0.25 0.88 -0.03 0.00 -0.53 0.00 0.00 176.83 176.91 1nkt h ALA 626 N 1.14 -0.09 0.07 6.23 0.00 -0.60 -2.13 119.26 123.88 1nkt h ALA 626 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nkt h ALA 626 Cb 0.93 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nkt h ALA 626 CO 0.08 -0.47 -0.03 0.37 0.00 0.00 0.00 179.25 179.20 1nkt h GLN 627 N -0.25 -0.09 -0.98 0.00 4.15 -1.28 -2.66 115.11 114.00 1nkt h GLN 627 Ca -0.01 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.63 1nkt h GLN 627 Cb 0.22 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.84 1nkt h GLN 627 CO 0.02 0.05 0.63 1.15 -1.93 0.00 0.00 178.83 178.74 1nkt h THR 628 N -0.22 0.64 -0.38 2.39 2.02 -0.75 -0.41 112.91 116.21 1nkt h THR 628 Ca -0.01 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1nkt h THR 628 Cb 0.18 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1nkt h THR 628 CO 0.02 0.10 -0.35 1.56 0.37 0.00 0.00 175.52 177.21 1nkt h GLN 629 N 0.53 0.88 -0.55 6.66 4.20 -1.05 -1.29 115.11 124.49 1nkt h GLN 629 Ca 0.55 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1nkt h GLN 629 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1nkt h GLN 629 CO -0.29 1.09 0.25 0.28 -0.67 0.00 0.00 178.83 179.49 1nkt h VAL 630 N 0.73 1.21 -0.10 -0.54 2.07 -0.90 -0.02 116.25 118.69 1nkt h VAL 630 Ca 0.07 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1nkt h VAL 630 Cb 0.92 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1nkt h VAL 630 CO 0.09 0.24 -0.19 -0.08 0.02 0.00 0.00 177.57 177.65 1nkt h GLU 631 N 0.75 -0.24 -0.55 1.57 4.81 -1.03 -0.54 114.58 119.35 1nkt h GLU 631 Ca 0.19 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1nkt h GLU 631 Cb 0.15 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1nkt h GLU 631 CO -0.02 -0.16 0.07 1.96 -0.73 0.00 0.00 179.01 180.13 1nkt h GLN 632 N -0.25 0.89 -0.25 1.92 1.08 -1.06 -1.75 115.11 115.68 1nkt h GLN 632 Ca 0.09 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 1nkt h GLN 632 Cb 0.38 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1nkt h GLN 632 CO -0.25 0.84 0.07 0.37 -0.95 0.00 0.00 178.83 178.91 1nkt h GLN 633 N 0.84 0.39 -0.59 1.46 4.15 -0.60 -0.82 115.11 119.94 1nkt h GLN 633 Ca 0.17 -0.09 0.08 0.00 0.77 0.00 0.00 58.65 59.57 1nkt h GLN 633 Cb 0.40 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 1nkt h GLN 633 CO 0.01 0.48 0.26 -0.91 -1.93 0.00 0.00 178.83 176.75 1nkt h ASN 634 N 0.23 0.32 -0.49 -0.69 2.35 -0.85 -1.18 115.58 115.27 1nkt h ASN 634 Ca 0.08 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1nkt h ASN 634 Cb 0.26 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1nkt h ASN 634 CO -0.00 0.20 0.20 0.15 -1.65 0.00 0.00 177.43 176.33 1nkt h PHE 635 N 0.48 0.74 -0.26 1.19 3.57 -1.14 -1.62 116.94 119.90 1nkt h PHE 635 Ca 0.28 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1nkt h PHE 635 Cb 0.28 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1nkt h PHE 635 CO -0.13 0.61 -0.11 0.93 -2.23 0.00 0.00 178.31 177.38 1nkt h GLU 636 N 0.65 0.42 -0.61 1.11 4.39 -0.61 -1.30 114.58 118.63 1nkt h GLU 636 Ca 0.16 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1nkt h GLU 636 Cb 0.18 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1nkt h GLU 636 CO -0.01 0.54 0.09 0.28 -1.16 0.00 0.00 179.01 178.75 1nkt h VAL 637 N 0.40 1.26 -0.24 3.13 2.07 -0.75 -1.09 116.25 121.03 1nkt h VAL 637 Ca 0.08 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 1nkt h VAL 637 Cb 0.44 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1nkt h VAL 637 CO 0.02 0.37 -0.01 -0.09 0.02 0.00 0.00 177.57 177.89 1nkt h ARG 638 N 0.92 0.42 0.00 1.57 2.43 -0.93 0.12 114.38 118.92 1nkt h ARG 638 Ca 0.19 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1nkt h ARG 638 Cb 0.43 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1nkt h ARG 638 CO 0.01 0.61 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.63 1nkt h LYS 639 N 0.19 0.00 0.15 0.20 3.64 -1.16 -2.27 116.57 117.31 1nkt h LYS 639 Ca 0.07 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.22 1nkt h LYS 639 Cb 0.42 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1nkt h LYS 639 CO 0.01 0.23 -0.96 -0.91 -2.27 0.00 0.00 179.45 175.55 1nkt h ASN 640 N 0.00 0.60 -0.39 4.20 4.21 -0.65 -2.56 115.58 120.98 1nkt h ASN 640 Ca -0.00 -0.91 0.05 0.00 1.21 0.00 0.00 56.30 56.64 1nkt h ASN 640 Cb 0.62 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.58 1nkt h ASN 640 CO 0.03 1.46 0.14 0.58 -1.29 0.00 0.00 177.43 178.35 1nkt h VAL 641 N -0.17 0.88 0.31 2.81 2.07 -0.50 -2.37 116.25 119.28 1nkt h VAL 641 Ca -0.16 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1nkt h VAL 641 Cb 1.74 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1nkt h VAL 641 CO 0.18 0.05 -0.15 0.25 0.02 0.00 0.00 177.57 177.93 1nkt h LEU 642 N 0.30 -0.36 -0.71 2.57 5.85 -1.53 -1.57 115.31 119.87 1nkt h LEU 642 Ca 0.18 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.95 1nkt h LEU 642 Cb 0.16 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 1nkt h LEU 642 CO -0.19 -0.11 0.19 0.11 -0.34 0.00 0.00 178.44 178.10 1nkt h LYS 643 N -0.60 0.29 -0.19 1.25 1.57 -1.33 0.66 116.57 118.22 1nkt h LYS 643 Ca -0.04 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1nkt h LYS 643 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1nkt h LYS 643 CO 0.07 0.19 -0.34 1.88 -0.57 0.00 0.00 179.45 180.68 1nkt h TYR 644 N 0.30 0.47 0.00 -1.35 -1.99 -1.42 -2.56 116.97 110.42 1nkt h TYR 644 Ca 0.39 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.95 1nkt h TYR 644 Cb 0.64 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 1nkt h TYR 644 CO -0.24 0.71 -0.24 0.22 -0.00 0.00 0.00 178.16 178.60 1nkt h ASP 645 N 0.35 0.00 -0.58 3.88 3.58 -0.09 -3.16 116.42 120.39 1nkt h ASP 645 Ca 0.04 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.54 1nkt h ASP 645 Cb 0.77 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.78 1nkt h ASP 645 CO 0.06 0.24 0.32 -0.33 -2.88 0.00 0.00 179.24 176.65 1nkt h GLU 646 N 0.00 0.59 -0.45 0.28 4.39 -0.50 0.14 114.58 119.03 1nkt h GLU 646 Ca -0.00 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1nkt h GLU 646 Cb 0.52 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1nkt h GLU 646 CO 0.03 0.39 0.24 0.28 -1.16 0.00 0.00 179.01 178.79 1nkt h VAL 647 N 0.60 0.99 0.00 3.13 2.07 -1.65 -2.45 116.25 118.95 1nkt h VAL 647 Ca 0.25 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 1nkt h VAL 647 Cb 0.13 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1nkt h VAL 647 CO -0.16 0.09 -0.57 0.24 0.02 0.00 0.00 177.57 177.19 1nkt h MET 648 N 0.47 0.00 -0.45 1.57 2.86 -1.58 -3.15 114.93 114.66 1nkt h MET 648 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 1nkt h MET 648 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1nkt h MET 648 CO -0.12 0.18 -0.22 -0.97 1.06 0.00 0.00 176.91 176.84 1nkt h ASN 649 N 0.00 0.93 0.41 1.22 -0.00 -0.40 -2.19 115.58 115.56 1nkt h ASN 649 Ca -0.02 -0.35 -0.07 0.00 -0.00 0.00 0.00 56.30 55.86 1nkt h ASN 649 Cb 1.19 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 39.24 1nkt h ASN 649 CO 0.02 1.11 -0.33 1.56 -0.00 0.00 0.00 177.43 179.80 1nkt h GLN 650 N 0.79 0.00 0.02 6.67 1.08 -1.45 -2.61 115.11 119.61 1nkt h GLN 650 Ca 0.11 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.09 1nkt h GLN 650 Cb 0.77 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1nkt h GLN 650 CO 0.06 0.33 -0.96 1.96 -0.95 0.00 0.00 178.83 179.27 1nkt h GLN 651 N 0.00 0.14 0.00 1.46 4.20 -1.45 -3.30 115.11 116.16 1nkt h GLN 651 Ca -0.00 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1nkt h GLN 651 Cb 0.62 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1nkt h GLN 651 CO 0.04 0.99 -0.58 0.07 -0.67 0.00 0.00 178.83 178.69 1nkt h ARG 652 N 0.06 0.00 -0.03 1.46 0.11 -1.27 -2.61 114.38 112.10 1nkt h ARG 652 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1nkt h ARG 652 Cb 1.64 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.72 1nkt h ARG 652 CO 0.14 0.12 -0.00 0.87 0.10 0.00 0.00 179.97 181.20 1nkt h LYS 653 N 0.00 0.01 -0.14 0.08 1.79 -1.55 0.51 116.57 117.27 1nkt h LYS 653 Ca -0.02 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1nkt h LYS 653 Cb 1.14 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 1nkt h LYS 653 CO 0.02 0.00 -0.08 0.28 -1.08 0.00 0.00 179.45 178.59 1nkt h VAL 654 N 0.01 0.75 -0.39 0.50 2.07 -1.63 -0.42 116.25 117.14 1nkt h VAL 654 Ca 0.01 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1nkt h VAL 654 Cb 0.02 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1nkt h VAL 654 CO -0.03 0.00 -0.39 0.40 0.02 0.00 0.00 177.57 177.58 1nkt h ILE 655 N -0.08 1.27 -0.64 4.57 1.08 -1.20 -1.61 117.51 120.90 1nkt h ILE 655 Ca 0.08 -1.56 -0.07 0.00 -0.39 0.00 0.00 64.86 62.92 1nkt h ILE 655 Cb 0.20 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1nkt h ILE 655 CO -0.19 0.52 0.14 1.88 -0.69 0.00 0.00 178.15 179.81 1nkt h TYR 656 N 0.77 1.09 -0.12 1.37 0.05 0.11 -1.25 116.97 118.98 1nkt h TYR 656 Ca 0.06 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1nkt h TYR 656 Cb 0.98 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1nkt h TYR 656 CO 0.06 0.91 0.04 0.00 -1.05 0.00 0.00 178.16 178.12 1nkt h ALA 657 N 1.05 0.12 -0.49 3.88 0.00 -0.86 0.24 119.26 123.20 1nkt h ALA 657 Ca 0.20 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1nkt h ALA 657 Cb 0.38 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1nkt h ALA 657 CO 0.01 -0.42 0.06 0.93 0.00 0.00 0.00 179.25 179.83 1nkt h GLU 658 N 0.09 0.19 -0.65 0.00 4.39 -1.00 -1.21 114.58 116.39 1nkt h GLU 658 Ca 0.05 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1nkt h GLU 658 Cb 0.03 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1nkt h GLU 658 CO -0.05 0.12 0.23 0.00 -1.16 0.00 0.00 179.01 178.14 1nkt h ARG 659 N 0.19 0.99 -0.41 2.33 3.08 -0.80 -2.82 114.38 116.93 1nkt h ARG 659 Ca 0.25 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1nkt h ARG 659 Cb 0.34 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1nkt h ARG 659 CO -0.35 0.85 0.17 0.00 -1.07 0.00 0.00 179.97 179.57 1nkt h ARG 660 N 0.92 0.34 -0.88 0.04 3.08 -0.47 -1.45 114.38 115.96 1nkt h ARG 660 Ca 0.21 -0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.45 1nkt h ARG 660 Cb 0.26 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 1nkt h ARG 660 CO -0.01 0.23 0.39 0.00 -1.07 0.00 0.00 179.97 179.51 1nkt h ARG 661 N 0.35 0.41 0.19 0.04 3.08 -0.98 -1.09 114.38 116.39 1nkt h ARG 661 Ca 0.18 -0.02 -0.31 0.00 0.07 0.00 0.00 59.98 59.90 1nkt h ARG 661 Cb 0.13 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.11 1nkt h ARG 661 CO -0.16 0.27 -1.42 0.82 -1.07 0.00 0.00 179.97 178.42 1nkt h ILE 662 N 0.43 1.33 -0.17 2.04 2.04 -1.32 -2.84 117.51 119.02 1nkt h ILE 662 Ca 0.54 -2.84 -0.05 0.00 1.00 0.00 0.00 64.86 63.51 1nkt h ILE 662 Cb 0.99 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 40.02 1nkt h ILE 662 CO -0.50 0.85 -0.13 -0.07 0.00 0.00 0.00 178.15 178.29 1nkt h LEU 663 N 0.11 0.25 0.00 1.44 3.38 -0.82 -2.85 115.31 116.82 1nkt h LEU 663 Ca -0.22 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1nkt h LEU 663 Cb 2.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1nkt h LEU 663 CO 0.23 0.42 -0.04 -0.33 0.09 0.00 0.00 178.44 178.81 1nkt h GLU 664 N 0.26 0.00 0.00 1.13 5.08 -1.11 -3.38 114.58 116.56 1nkt h GLU 664 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nkt h GLU 664 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nkt h GLU 664 CO 0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 1nkt n GLY 665 N 1.23 0.55 3.38 -3.84 0.00 -1.08 -5.05 105.19 100.38 1nkt n GLY 665 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 1nkt n GLY 665 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nkt n GLU 666 N -1.92 0.04 -2.25 1.61 1.02 -1.09 -4.84 120.64 113.22 1nkt n GLU 666 Ca 0.00 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 1nkt n GLU 666 Cb 0.00 -1.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1nkt n GLU 666 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1nkt s ASN 667 N -0.99 6.82 -0.19 1.62 3.84 -1.26 -4.88 114.94 119.90 1nkt s ASN 667 Ca 0.63 1.91 0.15 0.00 0.21 0.00 0.00 52.86 55.76 1nkt s ASN 667 Cb -0.84 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 37.80 1nkt s ASN 667 CO 0.58 -0.84 1.38 0.18 -2.79 0.00 0.00 177.10 175.61 1nkt n LEU 668 N 6.86 3.64 -0.33 3.21 4.77 -1.26 -4.63 117.00 129.24 1nkt n LEU 668 Ca 0.15 -3.20 0.01 0.00 -0.03 0.00 0.00 56.01 52.93 1nkt n LEU 668 Cb 0.44 -0.54 0.17 0.00 -2.33 0.00 0.00 43.42 41.16 1nkt n LEU 668 CO 0.59 0.81 1.27 0.50 -1.33 0.00 0.00 177.39 179.23 1nkt h LYS 669 N 1.29 1.17 -0.33 3.23 3.64 -1.93 0.49 116.57 124.12 1nkt h LYS 669 Ca 0.05 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1nkt h LYS 669 Cb 1.40 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1nkt h LYS 669 CO 0.21 0.77 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.33 1nkt h ASP 670 N 1.21 0.86 -0.03 4.20 3.32 -2.00 -1.83 116.42 122.15 1nkt h ASP 670 Ca 0.37 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1nkt h ASP 670 Cb -0.02 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1nkt h ASP 670 CO -0.11 1.15 -0.29 0.06 -1.72 0.00 0.00 179.24 178.34 1nkt h GLN 671 N 0.66 0.25 -0.88 3.56 -0.00 -1.81 -0.99 115.11 115.90 1nkt h GLN 671 Ca 0.05 -0.23 0.12 0.00 -0.00 0.00 0.00 58.65 58.60 1nkt h GLN 671 Cb 0.96 0.05 -0.14 0.00 -0.00 0.00 0.00 27.48 28.36 1nkt h GLN 671 CO 0.09 0.90 -0.45 0.00 -0.00 0.00 0.00 178.83 179.38 1nkt h ALA 672 N 0.35 -0.14 -0.63 0.06 0.00 -0.91 0.21 119.26 118.19 1nkt h ALA 672 Ca -0.03 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1nkt h ALA 672 Cb 0.98 1.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 1nkt h ALA 672 CO 0.06 -0.76 0.17 -0.07 0.00 0.00 0.00 179.25 178.65 1nkt h LEU 673 N -0.06 0.92 -0.61 0.00 3.38 -1.28 -1.08 115.31 116.57 1nkt h LEU 673 Ca 0.25 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1nkt h LEU 673 Cb 0.54 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1nkt h LEU 673 CO -0.89 0.88 0.39 -0.78 0.09 0.00 0.00 178.44 178.13 1nkt h ASP 674 N 0.94 0.66 0.08 -0.43 3.58 0.10 0.46 116.42 121.82 1nkt h ASP 674 Ca 0.20 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1nkt h ASP 674 Cb 0.31 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1nkt h ASP 674 CO -0.00 0.47 -0.16 0.24 -2.88 0.00 0.00 179.24 176.91 1nkt h MET 675 N 0.79 -0.30 -0.54 0.28 2.86 -0.20 0.77 114.93 118.59 1nkt h MET 675 Ca 0.23 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.00 1nkt h MET 675 Cb -0.05 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 1nkt h MET 675 CO -0.07 -0.20 0.05 0.28 1.06 0.00 0.00 176.91 178.03 1nkt h VAL 676 N -0.31 0.62 -0.46 -2.22 2.07 -0.90 0.02 116.25 115.07 1nkt h VAL 676 Ca 0.03 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1nkt h VAL 676 Cb 0.33 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1nkt h VAL 676 CO -0.10 0.03 0.27 -0.09 0.02 0.00 0.00 177.57 177.70 1nkt h ARG 677 N 0.17 0.63 -0.55 1.57 2.43 0.61 -2.73 114.38 116.51 1nkt h ARG 677 Ca 0.28 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1nkt h ARG 677 Cb 0.42 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1nkt h ARG 677 CO -0.42 0.47 0.34 0.22 -1.51 0.00 0.00 179.97 179.07 1nkt h ASP 678 N 0.61 0.66 -0.11 -3.80 -0.00 0.17 -2.56 116.42 111.38 1nkt h ASP 678 Ca 0.16 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.13 1nkt h ASP 678 Cb 0.01 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 39.17 1nkt h ASP 678 CO -0.03 0.51 0.01 0.58 -0.00 0.00 0.00 179.24 180.32 1nkt h VAL 679 N 0.74 1.22 -0.70 2.25 2.07 -0.90 -0.62 116.25 120.31 1nkt h VAL 679 Ca 0.20 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1nkt h VAL 679 Cb -0.03 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1nkt h VAL 679 CO -0.04 0.20 0.46 0.40 0.02 0.00 0.00 177.57 178.61 1nkt h ILE 680 N -0.05 1.18 -0.20 4.57 2.04 -1.45 -0.68 117.51 122.92 1nkt h ILE 680 Ca 0.03 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1nkt h ILE 680 Cb 0.30 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1nkt h ILE 680 CO 0.00 0.18 -0.06 0.74 0.00 0.00 0.00 178.15 179.01 1nkt h THR 681 N 0.95 0.77 -0.90 -0.27 2.02 -1.35 0.18 112.91 114.31 1nkt h THR 681 Ca 0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.52 1nkt h THR 681 Cb -0.10 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1nkt h THR 681 CO -0.05 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.42 1nkt h ALA 682 N 1.17 1.58 -0.01 6.16 0.00 -0.39 0.50 119.26 128.27 1nkt h ALA 682 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nkt h ALA 682 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nkt h ALA 682 CO -0.22 0.25 -0.11 1.88 0.00 0.00 0.00 179.25 181.06 1nkt h TYR 683 N 0.94 0.13 -0.99 0.00 0.05 -0.60 -1.65 116.97 114.86 1nkt h TYR 683 Ca 0.40 -0.06 0.09 0.00 0.05 0.00 0.00 58.73 59.22 1nkt h TYR 683 Cb 0.33 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 1nkt h TYR 683 CO -0.00 0.80 0.63 0.28 -1.05 0.00 0.00 178.16 178.82 1nkt h VAL 684 N -0.57 1.00 0.72 -2.88 2.07 -0.40 0.16 116.25 116.35 1nkt h VAL 684 Ca -0.01 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1nkt h VAL 684 Cb 0.82 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1nkt h VAL 684 CO 0.02 0.19 -0.35 -0.78 0.02 0.00 0.00 177.57 176.68 1nkt h ASP 685 N 1.06 -0.82 -0.39 0.57 3.58 0.04 0.23 116.42 120.68 1nkt h ASP 685 Ca 0.46 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1nkt h ASP 685 Cb 0.34 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1nkt h ASP 685 CO -0.21 -0.58 0.26 1.23 -2.88 0.00 0.00 179.24 177.05 1nkt h GLY 686 N -0.99 0.54 1.68 -0.78 0.00 -0.92 -1.27 103.07 101.33 1nkt h GLY 686 Ca -0.10 -0.20 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 1nkt h GLY 686 CO 0.16 0.20 -0.88 0.00 0.00 0.00 0.00 176.54 176.03 1nkt h ALA 687 N 1.14 0.48 0.10 3.60 0.00 -0.69 -3.24 119.26 120.65 1nkt h ALA 687 Ca 0.14 -0.70 -0.26 0.00 0.00 0.00 0.00 54.91 54.09 1nkt h ALA 687 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nkt h ALA 687 CO -0.03 0.86 -1.21 0.00 0.00 0.00 0.00 179.25 178.87 1nkt h THR 688 N 0.17 1.53 0.00 0.00 1.03 -0.58 -3.40 112.91 111.66 1nkt h THR 688 Ca -0.05 -3.13 0.00 0.00 -0.01 0.00 0.00 66.41 63.21 1nkt h THR 688 Cb 1.50 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 71.49 1nkt h THR 688 CO 0.14 0.91 0.00 0.61 -0.01 0.00 0.00 175.52 177.17 1nkt n GLY 689 N 1.50 0.81 0.00 2.99 0.00 -0.48 -4.66 105.19 105.34 1nkt n GLY 689 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nkt n GLY 689 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nkt n GLU 690 N 2.09 2.50 0.00 1.61 0.00 -1.26 -4.89 120.64 120.69 1nkt n GLU 690 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1nkt n GLU 690 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1nkt n GLU 690 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nkt n GLY 691 N 4.25 1.77 4.28 -1.84 0.00 -1.26 -4.88 105.19 107.52 1nkt n GLY 691 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1nkt n GLY 691 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nkt n TYR 692 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.94 117.16 116.59 1nkt n TYR 692 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nkt n TYR 692 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1nkt n TYR 692 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nkt n ALA 693 N 0.00 0.00 -0.15 -0.72 0.00 -1.26 -4.86 120.51 113.52 1nkt n ALA 693 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1nkt n ALA 693 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1nkt n ALA 693 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nkt n GLU 694 N 0.00 -0.16 -1.49 0.00 -0.58 -1.26 -3.92 120.64 113.23 1nkt n GLU 694 Ca 0.00 0.64 -0.25 0.00 -0.42 0.00 0.00 57.16 57.13 1nkt n GLU 694 Cb 0.00 -0.94 -0.22 0.00 -0.57 0.00 0.00 31.44 29.71 1nkt n GLU 694 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nkt n ASP 695 N -4.15 -1.18 -3.63 1.62 9.92 -1.26 -4.79 116.55 113.07 1nkt n ASP 695 Ca 0.01 -0.43 -0.11 0.00 -0.53 0.00 0.00 54.79 53.73 1nkt n ASP 695 Cb 0.09 -0.59 -0.07 0.00 -0.64 0.00 0.00 41.12 39.91 1nkt n ASP 695 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1nkt s TRP 696 N 1.49 -0.82 -0.81 1.24 0.51 -1.25 -4.09 118.94 115.20 1nkt s TRP 696 Ca 1.32 1.87 -0.19 0.00 -2.12 0.00 0.00 56.10 56.98 1nkt s TRP 696 Cb -0.91 0.38 0.12 0.00 -0.81 0.00 0.00 33.47 32.24 1nkt s TRP 696 CO 0.55 -0.40 1.01 0.34 -0.51 0.00 0.00 176.95 177.95 1nkt s ASP 697 N 0.74 6.47 -0.21 2.95 2.15 -1.26 -4.80 116.67 122.69 1nkt s ASP 697 Ca -0.03 -1.74 -0.15 0.00 0.43 0.00 0.00 52.55 51.06 1nkt s ASP 697 Cb -0.05 -2.38 -0.19 0.00 -0.30 0.00 0.00 42.92 40.00 1nkt s ASP 697 CO -0.06 -1.14 0.07 0.18 -0.17 0.00 0.00 175.17 174.05 1nkt n LEU 698 N 6.67 2.13 -0.28 -1.34 4.77 -1.26 -3.04 117.00 124.65 1nkt n LEU 698 Ca 0.12 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1nkt n LEU 698 Cb 0.47 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1nkt n LEU 698 CO 0.54 0.52 0.58 0.44 -1.33 0.00 0.00 177.39 178.13 1nkt h ASP 699 N -0.70 -1.49 0.49 -1.43 5.19 -2.00 0.39 116.42 116.87 1nkt h ASP 699 Ca -0.47 0.27 -0.04 0.00 -0.62 0.00 0.00 57.03 56.17 1nkt h ASP 699 Cb 1.58 0.71 -0.01 0.00 0.18 0.00 0.00 39.33 41.79 1nkt h ASP 699 CO -0.19 -0.31 -0.19 0.00 -3.12 0.00 0.00 179.24 175.43 1nkt h ALA 700 N 0.89 1.24 -0.13 3.45 0.00 -1.97 -1.97 119.26 120.78 1nkt h ALA 700 Ca 0.23 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1nkt h ALA 700 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nkt h ALA 700 CO -0.80 0.24 -0.38 1.25 0.00 0.00 0.00 179.25 179.56 1nkt h LEU 701 N 0.00 0.56 -0.40 0.00 5.85 -0.74 -2.92 115.31 117.66 1nkt h LEU 701 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1nkt h LEU 701 Cb 0.49 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1nkt h LEU 701 CO 0.03 1.06 0.21 -0.50 -0.34 0.00 0.00 178.44 178.90 1nkt h TRP 702 N 0.09 0.56 -0.74 1.25 6.55 0.02 -0.82 115.95 122.86 1nkt h TRP 702 Ca -0.01 -0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.86 1nkt h TRP 702 Cb 1.00 -0.18 -0.05 0.00 -0.86 0.00 0.00 29.16 29.07 1nkt h TRP 702 CO 0.11 0.44 0.45 1.15 -1.05 0.00 0.00 178.44 179.53 1nkt h THR 703 N 0.51 1.04 -0.52 1.49 2.02 -1.44 1.57 112.91 117.58 1nkt h THR 703 Ca 0.14 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1nkt h THR 703 Cb 0.07 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1nkt h THR 703 CO -0.02 0.15 -0.04 0.00 0.37 0.00 0.00 175.52 175.98 1nkt h ALA 704 N 1.35 0.94 -0.18 6.16 0.00 -1.29 -2.66 119.26 123.59 1nkt h ALA 704 Ca 0.32 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1nkt h ALA 704 Cb 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nkt h ALA 704 CO -0.15 0.63 -0.12 -0.07 0.00 0.00 0.00 179.25 179.54 1nkt h LEU 705 N 0.84 0.41 -0.76 0.00 3.38 -0.03 -3.31 115.31 115.84 1nkt h LEU 705 Ca 0.15 -0.44 0.17 0.00 0.09 0.00 0.00 57.88 57.85 1nkt h LEU 705 Cb 0.55 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1nkt h LEU 705 CO 0.03 0.76 0.20 0.11 0.09 0.00 0.00 178.44 179.63 1nkt h LYS 706 N 0.06 0.27 0.00 1.13 1.57 0.24 0.23 116.57 120.07 1nkt h LYS 706 Ca 0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1nkt h LYS 706 Cb 0.62 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1nkt h LYS 706 CO 0.03 0.18 -0.07 1.79 -0.57 0.00 0.00 179.45 180.81 1nkt h THR 707 N 0.28 0.46 0.06 -0.16 1.35 -1.56 -2.72 112.91 110.62 1nkt h THR 707 Ca 0.43 -0.36 -0.11 0.00 -0.55 0.00 0.00 66.41 65.82 1nkt h THR 707 Cb 0.75 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1nkt h THR 707 CO -0.52 0.07 -0.47 -0.07 -0.25 0.00 0.00 175.52 174.28 1nkt h LEU 708 N 0.00 0.31 -7.39 3.87 -0.00 -0.68 -3.46 115.31 107.95 1nkt h LEU 708 Ca -0.00 -0.91 -0.06 0.00 -0.00 0.00 0.00 57.88 56.90 1nkt h LEU 708 Cb 0.24 -0.10 -0.14 0.00 -0.00 0.00 0.00 40.66 40.66 1nkt h LEU 708 CO 0.01 1.19 -0.09 -0.72 -0.00 0.00 0.00 178.44 178.83 1nkt s TYR 709 N -2.59 -0.22 -0.98 1.13 1.13 -0.75 -4.32 117.35 110.76 1nkt s TYR 709 Ca -0.15 0.02 -0.22 0.00 -1.41 0.00 0.00 57.07 55.30 1nkt s TYR 709 Cb 0.00 0.24 -0.11 0.00 -1.10 0.00 0.00 41.96 40.99 1nkt s TYR 709 CO 0.78 -0.65 1.93 -0.35 -2.51 0.00 0.00 175.55 174.75 1nkt n PRO 710 N 0.07 1.69 -1.67 -3.49 -0.04 -1.26 -4.29 135.00 126.00 1nkt n PRO 710 Ca -0.17 -2.18 -0.51 0.00 -0.04 0.00 0.00 63.50 60.60 1nkt n PRO 710 Cb 0.62 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.77 1nkt n PRO 710 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nkt n VAL 711 N 6.62 0.28 -1.42 0.52 0.31 -1.26 -4.91 118.33 118.47 1nkt n VAL 711 Ca 0.48 -0.05 -0.04 0.00 -0.01 0.00 0.00 64.34 64.72 1nkt n VAL 711 Cb 0.43 -1.43 0.20 0.00 -0.91 0.00 0.00 33.84 32.13 1nkt n VAL 711 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nkt n GLY 712 N 3.81 4.83 2.80 2.92 0.00 -1.26 -4.86 105.19 113.44 1nkt n GLY 712 Ca 0.22 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1nkt n GLY 712 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nkt s ILE 713 N -3.22 -0.44 0.33 -0.61 -4.36 -1.26 -5.11 121.20 106.53 1nkt s ILE 713 Ca 0.45 -0.23 -0.27 0.00 -0.26 0.00 0.00 60.65 60.34 1nkt s ILE 713 Cb 0.40 -0.82 -0.13 0.00 1.25 0.00 0.00 42.46 43.16 1nkt s ILE 713 CO 0.01 -0.27 1.03 0.35 0.24 0.00 0.00 174.94 176.30 1nkt n THR 714 N 5.33 2.09 0.04 8.37 -2.24 -1.26 -4.80 114.28 121.81 1nkt n THR 714 Ca -0.04 -0.50 0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1nkt n THR 714 Cb 0.49 -1.10 0.71 0.00 -2.10 0.00 0.00 70.33 68.32 1nkt n THR 714 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nkt h ALA 715 N 1.92 2.26 0.00 6.98 0.00 -1.97 0.81 119.26 129.25 1nkt h ALA 715 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nkt h ALA 715 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1nkt h ALA 715 CO 0.60 -0.83 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1nkt n ASP 716 N -3.66 0.00 -0.16 0.00 8.00 -1.26 -3.10 116.55 116.36 1nkt n ASP 716 Ca 0.10 -0.13 0.18 0.00 0.71 0.00 0.00 54.79 55.65 1nkt n ASP 716 Cb 0.76 -0.21 0.55 0.00 -0.02 0.00 0.00 41.12 42.21 1nkt n ASP 716 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nkt h SER 717 N 0.00 0.30 -3.41 -2.24 0.02 0.35 -3.35 113.55 105.23 1nkt h SER 717 Ca 0.00 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.36 1nkt h SER 717 Cb 0.12 -0.04 -0.40 0.00 0.14 0.00 0.00 62.40 62.22 1nkt h SER 717 CO 0.00 0.14 -0.74 -1.48 -1.14 0.00 0.00 176.83 173.61 1nkt s LEU 718 N -9.21 3.01 -0.43 5.07 2.34 -1.18 -5.10 118.68 113.17 1nkt s LEU 718 Ca -0.07 -2.04 0.04 0.00 0.06 0.00 0.00 54.13 52.12 1nkt s LEU 718 Cb 0.21 -1.11 0.27 0.00 -0.56 0.00 0.00 46.19 45.00 1nkt s LEU 718 CO 0.77 -0.37 1.05 0.41 -1.06 0.00 0.00 176.35 177.15 1nkt n THR 719 N 4.35 0.00 0.00 5.48 -1.04 -1.26 -5.07 114.28 116.74 1nkt n THR 719 Ca 0.02 -1.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.79 1nkt n THR 719 Cb 0.40 1.37 0.00 0.00 -1.82 0.00 0.00 70.33 70.28 1nkt n THR 719 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nkt n LEU 735 N 1.33 0.00 -0.33 -4.42 -0.00 -1.26 -5.19 117.00 107.13 1nkt n LEU 735 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1nkt n LEU 735 Cb 0.67 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.26 1nkt n LEU 735 CO -0.01 0.00 1.27 0.25 -0.00 0.00 0.00 177.39 178.90 1nkt h LEU 736 N 0.00 1.03 0.31 1.47 6.46 -1.99 -2.99 115.31 119.60 1nkt h LEU 736 Ca 0.00 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1nkt h LEU 736 Cb 0.00 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.69 1nkt h LEU 736 CO 0.00 0.73 -0.15 -0.33 -0.62 0.00 0.00 178.44 178.06 1nkt h GLU 737 N 1.21 -0.41 -0.83 1.25 4.39 -2.02 -2.90 114.58 115.26 1nkt h GLU 737 Ca 0.36 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.18 1nkt h GLU 737 Cb -0.05 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 1nkt h GLU 737 CO -0.10 -0.09 0.48 0.00 -1.16 0.00 0.00 179.01 178.14 1nkt h ALA 738 N -0.20 1.18 -0.04 3.43 0.00 -2.00 -2.63 119.26 119.00 1nkt h ALA 738 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nkt h ALA 738 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nkt h ALA 738 CO 0.07 0.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.35 1nkt h LEU 739 N 0.82 -0.09 -1.86 0.00 3.38 -1.52 -1.86 115.31 114.19 1nkt h LEU 739 Ca 0.39 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.41 1nkt h LEU 739 Cb 0.33 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nkt h LEU 739 CO -0.24 -0.04 0.14 -0.07 0.09 0.00 0.00 178.44 178.33 1nkt h LEU 740 N -0.03 0.16 0.01 1.67 3.38 -1.28 0.45 115.31 119.67 1nkt h LEU 740 Ca 0.03 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 1nkt h LEU 740 Cb 0.07 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nkt h LEU 740 CO -0.06 0.11 -1.13 0.11 0.09 0.00 0.00 178.44 177.56 1nkt h LYS 741 N 0.19 0.36 -0.18 1.13 1.57 -1.12 -2.37 116.57 116.15 1nkt h LYS 741 Ca 0.09 -0.50 -0.07 0.00 -1.87 0.00 0.00 60.65 58.30 1nkt h LYS 741 Cb 0.11 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1nkt h LYS 741 CO -0.02 1.19 -0.17 0.22 -0.57 0.00 0.00 179.45 180.10 1nkt h ASP 742 N 0.15 0.46 -0.97 0.86 3.58 -0.69 -2.73 116.42 117.09 1nkt h ASP 742 Ca -0.12 -0.47 0.18 0.00 0.42 0.00 0.00 57.03 57.03 1nkt h ASP 742 Cb 1.81 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 42.65 1nkt h ASP 742 CO 0.19 0.84 0.61 0.00 -2.88 0.00 0.00 179.24 178.00 1nkt h ALA 743 N 0.63 1.81 -0.02 -0.78 0.00 -0.94 0.17 119.26 120.13 1nkt h ALA 743 Ca 0.03 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1nkt h ALA 743 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1nkt h ALA 743 CO 0.04 -0.13 -0.81 1.49 0.00 0.00 0.00 179.25 179.85 1nkt h GLU 744 N 0.70 0.27 -0.04 0.00 4.81 -1.31 -1.14 114.58 117.88 1nkt h GLU 744 Ca 0.52 -0.26 -0.21 0.00 -0.13 0.00 0.00 59.36 59.28 1nkt h GLU 744 Cb 0.88 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1nkt h GLU 744 CO -0.29 0.95 -0.84 -0.09 -0.73 0.00 0.00 179.01 178.01 1nkt h ARG 745 N 0.17 0.41 -0.76 1.92 2.43 -0.95 -0.58 114.38 117.02 1nkt h ARG 745 Ca -0.04 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1nkt h ARG 745 Cb 1.41 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 1nkt h ARG 745 CO 0.13 1.04 0.33 0.00 -1.51 0.00 0.00 179.97 179.96 1nkt h ALA 746 N 0.84 1.14 -0.30 2.80 0.00 -0.56 0.13 119.26 123.31 1nkt h ALA 746 Ca -0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1nkt h ALA 746 Cb 1.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1nkt h ALA 746 CO 0.14 0.63 -0.10 -0.92 0.00 0.00 0.00 179.25 179.00 1nkt h TYR 747 N 1.10 0.68 -0.64 0.00 5.03 -1.14 0.17 116.97 122.16 1nkt h TYR 747 Ca 0.26 -0.16 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1nkt h TYR 747 Cb 0.17 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 1nkt h TYR 747 CO 0.02 0.80 0.38 0.00 -1.32 0.00 0.00 178.16 178.04 1nkt h ALA 748 N 0.77 1.46 0.31 1.82 0.00 -0.84 0.55 119.26 123.32 1nkt h ALA 748 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nkt h ALA 748 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nkt h ALA 748 CO 0.04 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.60 1nkt h ALA 749 N 1.53 -0.41 -0.50 0.00 0.00 -0.49 -2.58 119.26 116.80 1nkt h ALA 749 Ca 0.23 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1nkt h ALA 749 Cb -0.02 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1nkt h ALA 749 CO -0.04 -0.67 0.06 -0.09 0.00 0.00 0.00 179.25 178.50 1nkt h ARG 750 N -0.53 0.17 -0.74 0.00 1.12 0.22 0.14 114.38 114.76 1nkt h ARG 750 Ca -0.04 -0.01 0.14 0.00 -1.11 0.00 0.00 59.98 58.96 1nkt h ARG 750 Cb 0.39 -0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 30.27 1nkt h ARG 750 CO 0.07 0.11 0.49 1.49 -3.11 0.00 0.00 179.97 179.03 1nkt h GLU 751 N 0.18 0.43 0.16 0.20 4.81 0.13 -1.27 114.58 119.21 1nkt h GLU 751 Ca 0.26 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 59.16 1nkt h GLU 751 Cb 0.37 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1nkt h GLU 751 CO -0.37 0.28 -1.38 0.00 -0.73 0.00 0.00 179.01 176.81 1nkt h ALA 752 N 1.65 0.08 -0.81 2.92 0.00 -0.52 -2.83 119.26 119.75 1nkt h ALA 752 Ca 0.36 -0.94 0.06 0.00 0.00 0.00 0.00 54.91 54.38 1nkt h ALA 752 Cb 0.78 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1nkt h ALA 752 CO -0.12 0.96 0.50 1.49 0.00 0.00 0.00 179.25 182.08 1nkt h GLU 753 N 0.09 0.89 -0.41 0.00 4.81 -0.05 -2.02 114.58 117.89 1nkt h GLU 753 Ca -0.19 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1nkt h GLU 753 Cb 2.03 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 1nkt h GLU 753 CO 0.21 0.59 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.99 1nkt h LEU 754 N 0.92 0.64 -0.15 1.64 -0.00 -1.29 -3.04 115.31 114.03 1nkt h LEU 754 Ca 0.35 -0.15 0.04 0.00 -0.00 0.00 0.00 57.88 58.12 1nkt h LEU 754 Cb 0.15 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.60 1nkt h LEU 754 CO -0.17 0.73 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.55 1nkt h GLU 755 N 0.63 -0.13 -0.74 1.13 4.39 -1.11 0.23 114.58 118.99 1nkt h GLU 755 Ca 0.13 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.90 1nkt h GLU 755 Cb 0.43 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1nkt h GLU 755 CO 0.02 -0.08 0.42 1.49 -1.16 0.00 0.00 179.01 179.70 1nkt h GLU 756 N -0.13 0.74 0.05 2.33 4.57 -1.39 1.19 114.58 121.93 1nkt h GLU 756 Ca 0.09 -0.04 -0.25 0.00 -1.18 0.00 0.00 59.36 57.98 1nkt h GLU 756 Cb 0.27 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1nkt h GLU 756 CO -0.23 0.49 -1.06 0.82 -1.18 0.00 0.00 179.01 177.85 1nkt h ILE 757 N 0.76 1.41 0.00 2.32 2.04 -1.38 -3.41 117.51 119.24 1nkt h ILE 757 Ca 0.34 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1nkt h ILE 757 Cb 0.23 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1nkt h ILE 757 CO -0.20 0.77 -0.96 0.00 0.00 0.00 0.00 178.15 177.77 1nkt n ALA 758 N -2.56 1.98 0.00 1.87 0.00 0.79 -5.11 120.51 117.48 1nkt n ALA 758 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1nkt n ALA 758 Cb 0.90 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.70 1nkt n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkt n GLY 759 N 3.13 1.05 2.55 0.00 0.00 0.41 -4.88 105.19 107.45 1nkt n GLY 759 Ca 0.00 -1.98 -0.46 0.00 0.00 0.00 0.00 46.02 43.58 1nkt n GLY 759 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nkt n GLU 760 N 1.55 0.00 -0.04 1.61 0.00 -1.26 -0.34 120.64 122.16 1nkt n GLU 760 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1nkt n GLU 760 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.41 1nkt n GLU 760 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nkt n GLY 761 N 2.39 0.60 0.32 -1.84 0.00 -1.26 -4.96 105.19 100.44 1nkt n GLY 761 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1nkt n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nkt h ALA 762 N 0.00 1.20 -0.01 4.61 0.00 -0.99 0.37 119.26 124.44 1nkt h ALA 762 Ca 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1nkt h ALA 762 Cb 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1nkt h ALA 762 CO 0.00 -0.54 -0.78 1.98 0.00 0.00 0.00 179.25 179.92 1nkt h MET 763 N 0.09 0.11 -0.48 0.00 -1.53 -1.85 -2.52 114.93 108.74 1nkt h MET 763 Ca 0.57 -0.10 -0.02 0.00 -3.44 0.00 0.00 59.70 56.71 1nkt h MET 763 Cb 1.18 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 32.23 1nkt h MET 763 CO -0.79 0.83 0.24 0.00 0.14 0.00 0.00 176.91 177.33 1nkt h ARG 764 N 0.07 0.69 -0.30 0.39 2.47 -0.70 -0.76 114.38 116.23 1nkt h ARG 764 Ca -0.02 -0.10 -0.15 0.00 -1.26 0.00 0.00 59.98 58.46 1nkt h ARG 764 Cb 1.36 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 1nkt h ARG 764 CO 0.11 0.57 -0.41 0.37 0.56 0.00 0.00 179.97 181.17 1nkt h GLN 765 N 0.64 0.73 -0.82 0.04 5.75 -1.45 -2.89 115.11 117.11 1nkt h GLN 765 Ca 0.17 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 1nkt h GLN 765 Cb 0.10 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 1nkt h GLN 765 CO -0.02 1.01 0.46 1.25 -2.65 0.00 0.00 178.83 178.88 1nkt h LEU 766 N 0.60 1.02 0.03 -2.39 5.85 -1.11 -0.81 115.31 118.49 1nkt h LEU 766 Ca 0.05 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1nkt h LEU 766 Cb 0.96 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1nkt h LEU 766 CO 0.09 0.81 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.60 1nkt h GLU 767 N 1.14 -0.14 -0.39 1.25 5.08 -1.08 -0.16 114.58 120.29 1nkt h GLU 767 Ca 0.29 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1nkt h GLU 767 Cb 0.01 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1nkt h GLU 767 CO -0.05 -0.09 0.10 0.00 -1.00 0.00 0.00 179.01 177.96 1nkt h ARG 768 N -0.14 0.22 -0.32 2.33 3.08 -1.28 -1.20 114.38 117.07 1nkt h ARG 768 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1nkt h ARG 768 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1nkt h ARG 768 CO -0.06 0.15 0.06 -0.91 -1.07 0.00 0.00 179.97 178.14 1nkt h ASN 769 N 0.23 0.49 -0.49 7.04 2.35 -0.92 -2.13 115.58 122.15 1nkt h ASN 769 Ca 0.19 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1nkt h ASN 769 Cb 0.21 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1nkt h ASN 769 CO -0.23 0.61 0.08 0.58 -1.65 0.00 0.00 177.43 176.82 1nkt h VAL 770 N 0.35 1.25 -0.15 2.81 2.07 -0.84 -2.50 116.25 119.23 1nkt h VAL 770 Ca 0.10 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1nkt h VAL 770 Cb 0.32 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1nkt h VAL 770 CO 0.00 0.33 -0.01 -0.07 0.02 0.00 0.00 177.57 177.84 1nkt h LEU 771 N 0.69 0.27 -0.45 2.57 3.38 -1.17 -2.13 115.31 118.48 1nkt h LEU 771 Ca 0.15 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1nkt h LEU 771 Cb 0.40 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1nkt h LEU 771 CO 0.01 0.54 0.23 0.25 0.09 0.00 0.00 178.44 179.55 1nkt h LEU 772 N -0.00 0.34 -0.48 1.67 5.85 -1.37 0.28 115.31 121.60 1nkt h LEU 772 Ca 0.04 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1nkt h LEU 772 Cb 0.40 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1nkt h LEU 772 CO 0.01 0.24 0.15 0.78 -0.34 0.00 0.00 178.44 179.28 1nkt h ASN 773 N 0.46 0.13 -0.08 1.25 2.35 -1.40 -0.40 115.58 117.88 1nkt h ASN 773 Ca 0.19 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1nkt h ASN 773 Cb 0.09 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1nkt h ASN 773 CO -0.13 0.10 -0.04 0.58 -1.65 0.00 0.00 177.43 176.30 1nkt h VAL 774 N 0.31 1.32 0.36 2.81 2.07 -0.77 -2.72 116.25 119.63 1nkt h VAL 774 Ca 0.23 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1nkt h VAL 774 Cb 0.26 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1nkt h VAL 774 CO -0.26 0.29 -0.33 0.40 0.02 0.00 0.00 177.57 177.69 1nkt h ILE 775 N -0.20 0.32 -0.88 4.57 2.04 -0.36 -1.83 117.51 121.17 1nkt h ILE 775 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1nkt h ILE 775 Cb 0.48 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1nkt h ILE 775 CO 0.01 0.00 0.53 0.44 0.00 0.00 0.00 178.15 179.13 1nkt h ASP 776 N -0.70 0.78 -0.18 1.72 3.32 -1.11 -0.32 116.42 119.93 1nkt h ASP 776 Ca -0.02 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 1nkt h ASP 776 Cb 0.63 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1nkt h ASP 776 CO -0.05 0.45 -0.47 -0.09 -1.72 0.00 0.00 179.24 177.37 1nkt h ARG 777 N 0.89 0.63 0.00 3.56 2.43 -1.40 -1.50 114.38 118.99 1nkt h ARG 777 Ca 0.42 -0.44 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1nkt h ARG 777 Cb 0.35 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1nkt h ARG 777 CO -0.23 1.06 -0.45 0.87 -1.51 0.00 0.00 179.97 179.70 1nkt h LYS 778 N 0.30 0.00 -0.13 0.20 1.79 -1.05 -2.64 116.57 115.04 1nkt h LYS 778 Ca -0.01 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1nkt h LYS 778 Cb 1.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1nkt h LYS 778 CO 0.10 0.45 -0.14 2.35 -1.08 0.00 0.00 179.45 181.13 1nkt h TRP 779 N 0.00 0.39 -0.70 -1.35 2.91 -1.03 -1.26 115.95 114.91 1nkt h TRP 779 Ca -0.00 -0.12 0.07 0.00 1.13 0.00 0.00 58.89 59.96 1nkt h TRP 779 Cb 1.21 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 29.72 1nkt h TRP 779 CO 0.00 0.73 0.39 0.00 -1.03 0.00 0.00 178.44 178.53 1nkt h ARG 780 N -0.07 0.68 -0.44 2.65 3.08 -1.23 0.47 114.38 119.52 1nkt h ARG 780 Ca 0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1nkt h ARG 780 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1nkt h ARG 780 CO 0.03 0.45 -0.04 0.93 -1.07 0.00 0.00 179.97 180.27 1nkt h GLU 781 N 0.70 0.81 -0.21 0.04 5.08 -1.38 -1.59 114.58 118.03 1nkt h GLU 781 Ca 0.32 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1nkt h GLU 781 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1nkt h GLU 781 CO -0.20 0.89 0.12 1.25 -1.00 0.00 0.00 179.01 180.08 1nkt h HIS 782 N 0.64 0.23 -0.92 4.33 2.76 -0.65 -1.97 115.15 119.58 1nkt h HIS 782 Ca 0.12 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.44 1nkt h HIS 782 Cb 0.56 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.37 1nkt h HIS 782 CO 0.04 0.14 0.59 -0.07 -1.30 0.00 0.00 177.93 177.33 1nkt h LEU 783 N 0.26 0.72 -0.83 0.26 3.38 -0.57 0.13 115.31 118.66 1nkt h LEU 783 Ca 0.08 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1nkt h LEU 783 Cb -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1nkt h LEU 783 CO -0.03 0.36 0.09 0.22 0.09 0.00 0.00 178.44 179.17 1nkt h TYR 784 N 0.76 1.02 -0.01 1.13 -0.00 -0.58 -1.62 116.97 117.67 1nkt h TYR 784 Ca 0.46 -0.13 -0.26 0.00 -0.00 0.00 0.00 58.73 58.80 1nkt h TYR 784 Cb 0.68 -0.28 0.02 0.00 -0.00 0.00 0.00 36.73 37.14 1nkt h TYR 784 CO -0.00 0.87 -1.03 0.93 -0.00 0.00 0.00 178.16 178.92 1nkt h GLU 785 N 0.91 0.69 -0.51 1.82 4.39 -0.40 -2.90 114.58 118.58 1nkt h GLU 785 Ca 0.18 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1nkt h GLU 785 Cb 0.41 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1nkt h GLU 785 CO 0.01 1.32 0.32 0.52 -1.16 0.00 0.00 179.01 180.01 1nkt h MET 786 N 0.39 0.68 0.34 2.33 2.86 -0.82 -0.25 114.93 120.47 1nkt h MET 786 Ca -0.13 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1nkt h MET 786 Cb 1.68 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1nkt h MET 786 CO 0.20 0.47 -0.34 -0.44 1.06 0.00 0.00 176.91 177.86 1nkt h ASP 787 N 0.70 -0.93 -0.75 1.22 3.32 -1.10 -0.87 116.42 118.01 1nkt h ASP 787 Ca 0.18 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1nkt h ASP 787 Cb -0.05 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1nkt h ASP 787 CO -0.04 -0.48 0.49 1.88 -1.72 0.00 0.00 179.24 179.37 1nkt h TYR 788 N -0.71 0.94 -0.19 4.55 0.05 -1.36 -2.36 116.97 117.89 1nkt h TYR 788 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nkt h TYR 788 Cb 0.65 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1nkt h TYR 788 CO -0.20 0.60 0.11 1.25 -1.05 0.00 0.00 178.16 178.87 1nkt h LEU 789 N 1.02 0.19 -0.34 3.88 5.85 -0.52 -2.76 115.31 122.62 1nkt h LEU 789 Ca 0.27 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1nkt h LEU 789 Cb -0.11 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1nkt h LEU 789 CO -0.06 0.14 -0.14 0.50 -0.34 0.00 0.00 178.44 178.54 1nkt h LYS 790 N 0.23 0.70 -0.70 1.25 3.64 -0.93 0.79 116.57 121.55 1nkt h LYS 790 Ca 0.07 -0.30 0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1nkt h LYS 790 Cb -0.01 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 1nkt h LYS 790 CO -0.03 0.90 0.21 0.93 -2.27 0.00 0.00 179.45 179.19 1nkt h GLU 791 N 0.48 0.33 0.00 1.90 4.39 -1.41 -3.21 114.58 117.06 1nkt h GLU 791 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1nkt h GLU 791 Cb 0.67 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1nkt h GLU 791 CO 0.05 0.22 -1.49 0.41 -1.16 0.00 0.00 179.01 177.03 1nkt n GLY 792 N -1.33 -1.10 0.31 -3.84 0.00 -1.05 -4.36 105.19 93.82 1nkt n GLY 792 Ca 0.13 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1nkt n GLY 792 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nkt h ILE 793 N 0.00 0.75 -0.52 -0.61 6.09 -0.84 -1.01 117.51 121.37 1nkt h ILE 793 Ca 0.00 -0.22 0.11 0.00 -1.37 0.00 0.00 64.86 63.38 1nkt h ILE 793 Cb 0.85 0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.15 1nkt h ILE 793 CO 0.00 0.12 0.36 1.23 -3.07 0.00 0.00 178.15 176.79 1nkt h GLY 794 N 0.65 0.33 1.98 8.18 0.00 -1.77 -1.48 103.07 110.97 1nkt h GLY 794 Ca 0.46 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 1nkt h GLY 794 CO -0.35 0.05 -0.36 -2.00 0.00 0.00 0.00 176.54 173.89 1nkt h LEU 795 N 0.23 0.02 -8.00 3.11 6.46 -1.46 -3.34 115.31 112.34 1nkt h LEU 795 Ca 0.25 -0.01 -0.76 0.00 -0.12 0.00 0.00 57.88 57.24 1nkt h LEU 795 Cb 0.66 -0.01 -0.26 0.00 -0.73 0.00 0.00 40.66 40.33 1nkt h LEU 795 CO -0.05 0.38 -0.20 -0.13 -0.62 0.00 0.00 178.44 177.82 1nkt s ARG 796 N -4.23 2.99 0.16 1.25 3.00 -0.56 -5.02 118.95 116.55 1nkt s ARG 796 Ca -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 55.73 53.77 1nkt s ARG 796 Cb 0.14 -4.23 0.02 0.00 0.00 0.00 0.00 34.95 30.88 1nkt s ARG 796 CO 0.73 -1.29 0.28 0.00 0.00 0.00 0.00 175.30 175.01 1nkt n ALA 797 N 4.87 -0.48 0.00 2.13 0.00 -1.26 -4.73 120.51 121.05 1nkt n ALA 797 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1nkt n ALA 797 Cb 0.41 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1nkt n ALA 797 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1nkt n MET 798 N -0.24 -0.67 -1.35 0.00 1.56 -1.25 -4.87 117.12 110.30 1nkt n MET 798 Ca -0.02 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.02 1nkt n MET 798 Cb 0.25 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.60 1nkt n MET 798 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nkt n ALA 799 N -0.24 7.31 -1.33 -5.12 0.00 -1.26 -3.37 120.51 116.50 1nkt n ALA 799 Ca 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1nkt n ALA 799 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.06 1nkt n ALA 799 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1nkt n GLN 800 N 3.89 0.00 -3.58 0.00 7.27 -1.26 -5.14 117.38 118.56 1nkt n GLN 800 Ca 0.75 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.67 1nkt n GLN 800 Cb 0.25 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.83 1nkt n GLN 800 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1nkt s ARG 801 N 0.00 0.89 -0.27 3.69 0.52 -1.22 -5.14 118.95 117.42 1nkt s ARG 801 Ca 0.00 0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 55.64 1nkt s ARG 801 Cb 0.00 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.86 1nkt s ARG 801 CO 0.00 -0.20 0.34 0.34 0.02 0.00 0.00 175.30 175.79 1nkt s ASP 802 N -0.44 6.22 0.25 0.23 2.15 -1.26 -3.86 116.67 119.96 1nkt s ASP 802 Ca -0.05 0.25 -0.06 0.00 0.43 0.00 0.00 52.55 53.12 1nkt s ASP 802 Cb -0.02 -2.19 0.47 0.00 -0.30 0.00 0.00 42.92 40.87 1nkt s ASP 802 CO 0.04 -0.15 1.62 -0.65 -0.17 0.00 0.00 175.17 175.86 1nkt h PRO 803 N 8.15 0.07 -0.78 4.34 0.11 -1.91 -2.55 132.00 139.43 1nkt h PRO 803 Ca -0.33 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1nkt h PRO 803 Cb 1.17 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1nkt h PRO 803 CO 0.63 0.05 0.41 1.25 -0.21 0.00 0.00 178.00 180.13 1nkt h LEU 804 N 0.08 0.98 -0.43 2.35 5.85 -1.96 -0.67 115.31 121.51 1nkt h LEU 804 Ca 0.44 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1nkt h LEU 804 Cb 0.78 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1nkt h LEU 804 CO -0.73 0.80 0.28 0.58 -0.34 0.00 0.00 178.44 179.04 1nkt h VAL 805 N 1.10 1.10 -0.05 1.05 2.07 -1.89 -0.90 116.25 118.73 1nkt h VAL 805 Ca 0.27 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.47 1nkt h VAL 805 Cb 0.05 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1nkt h VAL 805 CO -0.04 0.10 -0.54 -0.33 0.02 0.00 0.00 177.57 176.79 1nkt h GLU 806 N 0.57 0.15 -0.26 1.57 4.39 -1.14 -0.27 114.58 119.59 1nkt h GLU 806 Ca 0.16 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1nkt h GLU 806 Cb -0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1nkt h GLU 806 CO -0.04 0.65 0.07 -0.92 -1.16 0.00 0.00 179.01 177.60 1nkt h TYR 807 N 0.12 0.44 -0.14 4.33 3.20 -0.90 -1.68 116.97 122.33 1nkt h TYR 807 Ca 0.00 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1nkt h TYR 807 Cb 0.99 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1nkt h TYR 807 CO 0.01 0.49 0.07 1.96 -1.64 0.00 0.00 178.16 179.06 1nkt h GLN 808 N 0.25 0.20 -0.53 1.82 4.20 -0.79 0.39 115.11 120.66 1nkt h GLN 808 Ca 0.08 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.85 1nkt h GLN 808 Cb 0.27 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1nkt h GLN 808 CO 0.00 0.23 0.16 -0.09 -0.67 0.00 0.00 178.83 178.46 1nkt h ARG 809 N 0.11 0.31 0.12 1.46 2.43 -1.00 0.04 114.38 117.85 1nkt h ARG 809 Ca 0.05 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 1nkt h ARG 809 Cb 0.10 -0.07 0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1nkt h ARG 809 CO -0.01 0.21 -1.16 0.93 -1.51 0.00 0.00 179.97 178.43 1nkt h GLU 810 N 0.32 0.58 -0.15 0.20 5.08 -1.18 -2.60 114.58 116.83 1nkt h GLU 810 Ca 0.26 -0.78 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1nkt h GLU 810 Cb 0.32 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nkt h GLU 810 CO -0.29 1.35 0.05 0.78 -1.00 0.00 0.00 179.01 179.90 1nkt h GLY 811 N 0.18 0.25 1.41 -3.84 0.00 -0.04 -0.30 103.07 100.73 1nkt h GLY 811 Ca -0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1nkt h GLY 811 CO 0.22 0.13 0.04 -0.97 0.00 0.00 0.00 176.54 175.97 1nkt h TYR 812 N 0.08 0.77 -0.25 5.60 0.05 -1.08 -1.76 116.97 120.38 1nkt h TYR 812 Ca 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1nkt h TYR 812 Cb 0.20 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1nkt h TYR 812 CO -0.01 0.70 0.16 -0.44 -1.05 0.00 0.00 178.16 177.52 1nkt h ASP 813 N 0.70 0.28 -0.89 3.88 3.32 -1.11 0.04 116.42 122.64 1nkt h ASP 813 Ca 0.15 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1nkt h ASP 813 Cb 0.37 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1nkt h ASP 813 CO 0.01 0.21 0.58 0.24 -1.72 0.00 0.00 179.24 178.56 1nkt h MET 814 N 0.33 1.02 -0.06 3.56 2.86 -0.89 -1.93 114.93 119.83 1nkt h MET 814 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1nkt h MET 814 Cb -0.04 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.39 1nkt h MET 814 CO -0.02 0.68 -0.00 0.35 1.06 0.00 0.00 176.91 178.98 1nkt h PHE 815 N 1.06 0.12 -0.58 -0.22 3.57 -0.38 0.10 116.94 120.60 1nkt h PHE 815 Ca 0.37 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 1nkt h PHE 815 Cb 0.13 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1nkt h PHE 815 CO -0.00 0.39 0.26 0.52 -2.23 0.00 0.00 178.31 177.25 1nkt h MET 816 N -0.18 0.82 -0.21 1.11 2.86 -0.86 -0.72 114.93 117.74 1nkt h MET 816 Ca 0.02 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1nkt h MET 816 Cb 0.34 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1nkt h MET 816 CO 0.00 0.65 -0.37 0.00 1.06 0.00 0.00 176.91 178.26 1nkt h ALA 817 N 1.47 0.97 -0.65 6.32 0.00 -0.99 -1.24 119.26 125.14 1nkt h ALA 817 Ca 0.20 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1nkt h ALA 817 Cb 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nkt h ALA 817 CO -0.02 0.61 0.18 1.98 0.00 0.00 0.00 179.25 182.00 1nkt h MET 818 N 0.40 1.02 -0.34 0.00 -1.53 -0.13 -1.73 114.93 112.61 1nkt h MET 818 Ca 0.04 -0.23 -0.16 0.00 -3.44 0.00 0.00 59.70 55.91 1nkt h MET 818 Cb 0.83 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.73 1nkt h MET 818 CO 0.07 0.90 -0.43 -0.07 0.14 0.00 0.00 176.91 177.52 1nkt h LEU 819 N 0.94 0.93 -0.95 3.39 3.38 -0.53 -0.65 115.31 121.83 1nkt h LEU 819 Ca 0.21 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1nkt h LEU 819 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1nkt h LEU 819 CO -0.00 1.23 0.42 0.44 0.09 0.00 0.00 178.44 180.61 1nkt h ASP 820 N 0.69 1.06 -0.70 -0.43 3.32 -1.13 -1.17 116.42 118.06 1nkt h ASP 820 Ca 0.05 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1nkt h ASP 820 Cb 1.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1nkt h ASP 820 CO 0.10 0.87 0.36 1.23 -1.72 0.00 0.00 179.24 180.09 1nkt h GLY 821 N 1.19 1.07 1.01 2.75 0.00 -1.07 -2.55 103.07 105.47 1nkt h GLY 821 Ca 0.29 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1nkt h GLY 821 CO -0.04 0.48 0.54 -0.33 0.00 0.00 0.00 176.54 177.19 1nkt h MET 822 N 0.98 1.10 0.06 4.80 2.86 0.09 -2.02 114.93 122.80 1nkt h MET 822 Ca 0.25 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1nkt h MET 822 Cb 0.08 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1nkt h MET 822 CO -0.04 0.74 -0.03 0.87 1.06 0.00 0.00 176.91 179.52 1nkt h LYS 823 N 1.13 -0.08 0.06 1.72 1.57 -1.27 -0.59 116.57 119.11 1nkt h LYS 823 Ca 0.30 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1nkt h LYS 823 Cb -0.11 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1nkt h LYS 823 CO -0.06 0.21 -0.15 1.49 -0.57 0.00 0.00 179.45 180.36 1nkt h GLU 824 N -0.36 -0.28 -0.77 3.15 4.81 -1.29 -2.07 114.58 117.77 1nkt h GLU 824 Ca -0.01 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1nkt h GLU 824 Cb 0.32 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1nkt h GLU 824 CO 0.01 -0.18 0.33 0.93 -0.73 0.00 0.00 179.01 179.37 1nkt h GLU 825 N -0.29 1.13 -0.73 1.92 5.08 -1.38 -2.58 114.58 117.72 1nkt h GLU 825 Ca 0.03 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1nkt h GLU 825 Cb 0.32 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1nkt h GLU 825 CO -0.11 0.90 0.48 0.77 -1.00 0.00 0.00 179.01 180.05 1nkt h SER 826 N 1.11 0.82 -0.40 1.42 0.02 -0.45 0.50 113.55 116.57 1nkt h SER 826 Ca 0.26 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1nkt h SER 826 Cb 0.17 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1nkt h SER 826 CO -0.03 0.59 -0.24 1.62 -1.14 0.00 0.00 176.83 177.63 1nkt h VAL 827 N 0.97 1.28 -0.71 2.27 3.04 -1.27 0.31 116.25 122.13 1nkt h VAL 827 Ca 0.28 -1.40 0.12 0.00 -1.01 0.00 0.00 66.70 64.69 1nkt h VAL 827 Cb -0.08 1.31 -0.13 0.00 -2.01 0.00 0.00 31.29 30.39 1nkt h VAL 827 CO -0.07 0.47 -0.36 1.23 -1.01 0.00 0.00 177.57 177.83 1nkt h GLY 828 N 0.68 -0.08 1.67 3.17 0.00 -1.05 -1.03 103.07 106.43 1nkt h GLY 828 Ca 0.08 0.47 -0.18 0.00 0.00 0.00 0.00 47.33 47.70 1nkt h GLY 828 CO 0.07 -0.20 -0.74 0.74 0.00 0.00 0.00 176.54 176.40 1nkt h PHE 829 N -0.12 0.44 -0.75 5.60 0.04 -0.34 -2.66 116.94 119.15 1nkt h PHE 829 Ca 0.26 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1nkt h PHE 829 Cb 0.56 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 1nkt h PHE 829 CO -0.71 0.95 0.49 -0.07 -0.60 0.00 0.00 178.31 178.36 1nkt h LEU 830 N 0.21 0.87 0.05 1.54 3.38 0.19 -0.53 115.31 121.02 1nkt h LEU 830 Ca -0.03 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1nkt h LEU 830 Cb 1.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1nkt h LEU 830 CO 0.12 0.64 -1.13 -0.26 0.09 0.00 0.00 178.44 177.91 1nkt h PHE 831 N 1.02 0.29 0.00 1.13 0.04 -1.13 -3.42 116.94 114.88 1nkt h PHE 831 Ca 0.27 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1nkt h PHE 831 Cb -0.10 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1nkt h PHE 831 CO 0.00 1.15 0.00 0.09 -0.60 0.00 0.00 178.31 178.96 1nkt n ASN 832 N -3.47 0.03 -4.71 2.17 3.02 -1.01 -4.99 115.26 106.29 1nkt n ASN 832 Ca -0.05 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 1nkt n ASN 832 Cb 0.98 0.79 0.10 0.00 -0.61 0.00 0.00 39.78 41.04 1nkt n ASN 832 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nkt s VAL 833 N -0.79 2.17 0.02 2.41 0.11 -0.23 -3.86 120.40 120.23 1nkt s VAL 833 Ca 0.00 0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.88 1nkt s VAL 833 Cb 0.00 -2.67 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 1nkt s VAL 833 CO 0.00 -0.05 0.78 -0.89 -3.33 0.00 0.00 175.10 171.62 1nkt s THR 834 N -1.94 4.80 -0.19 5.04 2.01 -0.16 -4.94 115.64 120.27 1nkt s THR 834 Ca 0.75 1.65 0.01 0.00 0.31 0.00 0.00 61.69 64.42 1nkt s THR 834 Cb -0.30 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.09 1nkt s THR 834 CO 0.46 0.32 0.55 0.52 -0.69 0.00 0.00 174.62 175.78