#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc0 n VAL 10 N 0.00 3.64 -3.85 2.53 0.31 -1.26 -5.02 118.33 114.68 3kc0 n VAL 10 Ca 0.00 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 3kc0 n VAL 10 Cb 0.00 -1.14 -0.13 0.00 -0.91 0.00 0.00 33.84 31.66 3kc0 n VAL 10 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3kc0 s ASN 11 N -1.23 -0.07 0.34 4.52 3.04 -1.26 -5.08 114.94 115.20 3kc0 s ASN 11 Ca 0.75 0.11 0.09 0.00 0.04 0.00 0.00 52.86 53.85 3kc0 s ASN 11 Cb -0.42 0.19 -0.05 0.00 -1.54 0.00 0.00 41.25 39.43 3kc0 s ASN 11 CO 0.47 -0.08 0.05 0.42 -3.04 0.00 0.00 177.10 174.93 3kc0 s THR 12 N -0.17 2.72 0.20 -5.21 -4.23 -1.26 -0.70 115.64 106.99 3kc0 s THR 12 Ca -0.02 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 3kc0 s THR 12 Cb -0.02 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 71.11 3kc0 s THR 12 CO 0.00 -0.19 1.87 0.25 -0.54 0.00 0.00 174.62 176.02 3kc0 h LEU 13 N 1.73 0.82 -0.13 4.79 5.85 -1.60 -0.35 115.31 126.42 3kc0 h LEU 13 Ca -0.43 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kc0 h LEU 13 Cb 1.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3kc0 h LEU 13 CO 0.66 0.59 0.09 0.74 -0.34 0.00 0.00 178.44 180.18 3kc0 h THR 14 N 0.96 1.04 -0.52 1.05 2.02 -1.96 -0.15 112.91 115.36 3kc0 h THR 14 Ca 0.26 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 3kc0 h THR 14 Cb -0.11 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3kc0 h THR 14 CO -0.06 0.04 0.20 -0.09 0.37 0.00 0.00 175.52 175.98 3kc0 h ARG 15 N 0.17 0.79 0.56 6.66 2.43 -1.91 -1.46 114.38 121.62 3kc0 h ARG 15 Ca 0.05 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3kc0 h ARG 15 Cb -0.01 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3kc0 h ARG 15 CO -0.01 0.70 -0.36 0.35 -1.51 0.00 0.00 179.97 179.14 3kc0 h PHE 16 N 0.70 -0.94 -0.58 2.20 3.57 -0.84 -1.53 116.94 119.53 3kc0 h PHE 16 Ca 0.17 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kc0 h PHE 16 Cb 0.22 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3kc0 h PHE 16 CO 0.01 -0.54 0.33 0.28 -2.23 0.00 0.00 178.31 176.16 3kc0 h VAL 17 N -0.87 1.17 -0.39 1.41 2.07 -1.01 -1.26 116.25 117.37 3kc0 h VAL 17 Ca -0.07 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3kc0 h VAL 17 Cb 0.71 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3kc0 h VAL 17 CO 0.06 0.18 0.16 -0.03 0.02 0.00 0.00 177.57 177.96 3kc0 h MET 18 N 0.80 0.58 0.27 1.57 1.85 -1.05 -0.76 114.93 118.19 3kc0 h MET 18 Ca 0.21 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 3kc0 h MET 18 Cb -0.01 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.93 3kc0 h MET 18 CO -0.04 0.55 -0.13 1.49 -0.40 0.00 0.00 176.91 178.38 3kc0 h GLU 19 N 0.48 -0.35 -0.72 0.39 4.22 -0.84 -0.41 114.58 117.35 3kc0 h GLU 19 Ca 0.13 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.65 3kc0 h GLU 19 Cb 0.19 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3kc0 h GLU 19 CO -0.01 -0.12 0.47 0.93 -2.18 0.00 0.00 179.01 178.11 3kc0 h GLU 20 N -0.55 0.74 -0.36 1.92 4.39 -1.24 -1.06 114.58 118.42 3kc0 h GLU 20 Ca -0.04 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 3kc0 h GLU 20 Cb 0.40 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3kc0 h GLU 20 CO 0.06 0.49 -0.40 0.78 -1.16 0.00 0.00 179.01 178.78 3kc0 h GLY 21 N 0.76 0.97 0.99 -3.84 0.00 -0.94 -2.61 103.07 98.41 3kc0 h GLY 21 Ca 0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 3kc0 h GLY 21 CO -0.10 0.91 0.24 -0.09 0.00 0.00 0.00 176.54 177.50 3kc0 h ARG 22 N 0.72 0.88 -0.95 4.80 2.43 -0.15 -2.47 114.38 119.64 3kc0 h ARG 22 Ca 0.06 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3kc0 h ARG 22 Cb 0.99 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 3kc0 h ARG 22 CO 0.10 0.75 0.63 0.87 -1.51 0.00 0.00 179.97 180.80 3kc0 h LYS 23 N 0.82 1.24 0.00 0.20 1.57 -1.16 -1.87 116.57 117.37 3kc0 h LYS 23 Ca 0.20 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3kc0 h LYS 23 Cb 0.19 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kc0 h LYS 23 CO -0.02 0.82 -0.04 0.00 -0.57 0.00 0.00 179.45 179.64 3kc0 h ALA 24 N 1.41 1.22 -6.12 3.86 0.00 -1.05 -3.47 119.26 115.12 3kc0 h ALA 24 Ca 0.35 -0.04 -0.42 0.00 0.00 0.00 0.00 54.91 54.80 3kc0 h ALA 24 Cb -0.14 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 17.71 3kc0 h ALA 24 CO -0.08 0.05 -0.88 0.54 0.00 0.00 0.00 179.25 178.88 3kc0 n ARG 25 N -3.46 -2.99 0.00 0.00 1.74 -0.70 -4.99 116.66 106.25 3kc0 n ARG 25 Ca -0.02 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 3kc0 n ARG 25 Cb 0.16 -4.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.84 3kc0 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc0 n GLY 26 N -1.63 5.11 0.21 -0.13 0.00 -1.26 -5.03 105.19 102.46 3kc0 n GLY 26 Ca -0.20 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.06 3kc0 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kc0 h THR 27 N 0.00 0.40 0.00 2.61 1.35 -1.94 -3.47 112.91 111.86 3kc0 h THR 27 Ca 0.00 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3kc0 h THR 27 Cb 0.00 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3kc0 h THR 27 CO 0.00 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 3kc0 n GLY 28 N 0.67 0.70 0.18 5.82 0.00 -1.26 -4.98 105.19 106.33 3kc0 n GLY 28 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3kc0 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kc0 h GLU 29 N 4.03 -0.37 -0.83 1.61 5.08 -1.97 -2.34 114.58 119.80 3kc0 h GLU 29 Ca 0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3kc0 h GLU 29 Cb 0.00 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3kc0 h GLU 29 CO 0.00 -0.24 0.54 1.25 -1.00 0.00 0.00 179.01 179.56 3kc0 h LEU 30 N -0.38 0.73 -0.39 1.33 5.85 -1.93 0.18 115.31 120.70 3kc0 h LEU 30 Ca -0.03 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kc0 h LEU 30 Cb 0.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3kc0 h LEU 30 CO 0.05 0.44 0.25 0.74 -0.34 0.00 0.00 178.44 179.58 3kc0 h THR 31 N 0.81 1.09 -0.68 1.05 2.02 -1.82 0.33 112.91 115.71 3kc0 h THR 31 Ca 0.38 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 3kc0 h THR 31 Cb 0.39 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3kc0 h THR 31 CO -0.15 0.09 0.17 1.56 0.37 0.00 0.00 175.52 177.56 3kc0 h GLN 32 N 0.52 1.09 0.29 6.66 1.08 -0.53 -1.36 115.11 122.86 3kc0 h GLN 32 Ca 0.14 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3kc0 h GLN 32 Cb -0.05 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3kc0 h GLN 32 CO -0.04 0.97 -0.19 1.25 -0.95 0.00 0.00 178.83 179.87 3kc0 h LEU 33 N 1.02 -0.48 -1.08 1.46 6.46 -0.09 -1.32 115.31 121.26 3kc0 h LEU 33 Ca 0.21 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3kc0 h LEU 33 Cb 0.36 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 3kc0 h LEU 33 CO 0.00 -0.30 0.36 -0.07 -0.62 0.00 0.00 178.44 177.81 3kc0 h LEU 34 N -0.47 0.90 -0.41 2.25 3.38 -0.85 -0.42 115.31 119.69 3kc0 h LEU 34 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kc0 h LEU 34 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kc0 h LEU 34 CO 0.02 0.75 0.27 0.78 0.09 0.00 0.00 178.44 180.35 3kc0 h ASN 35 N 1.00 0.47 -0.55 -0.43 -0.26 -0.99 0.25 115.58 115.08 3kc0 h ASN 35 Ca 0.25 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.94 3kc0 h ASN 35 Cb 0.07 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3kc0 h ASN 35 CO -0.04 0.35 0.24 0.28 -1.06 0.00 0.00 177.43 177.20 3kc0 h SER 36 N 0.55 0.74 -0.59 5.81 0.02 -0.65 -1.44 113.55 117.98 3kc0 h SER 36 Ca 0.15 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3kc0 h SER 36 Cb -0.05 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3kc0 h SER 36 CO -0.03 0.69 0.31 0.25 -1.14 0.00 0.00 176.83 176.91 3kc0 h LEU 37 N 0.75 0.76 -0.37 5.07 5.85 -0.77 -1.38 115.31 125.22 3kc0 h LEU 37 Ca 0.19 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kc0 h LEU 37 Cb 0.16 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3kc0 h LEU 37 CO -0.02 0.65 0.19 0.00 -0.34 0.00 0.00 178.44 178.92 3kc0 h THR 39 N 0.38 1.22 -0.23 0.00 2.02 -0.96 -1.42 112.91 113.93 3kc0 h THR 39 Ca 0.15 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3kc0 h THR 39 Cb 0.05 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3kc0 h THR 39 CO -0.10 0.24 0.15 0.00 0.37 0.00 0.00 175.52 176.18 3kc0 h ALA 40 N 1.23 0.29 -0.75 6.16 0.00 -0.59 -1.48 119.26 124.13 3kc0 h ALA 40 Ca 0.27 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3kc0 h ALA 40 Cb -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 3kc0 h ALA 40 CO -0.05 -0.24 0.42 0.28 0.00 0.00 0.00 179.25 179.66 3kc0 h VAL 41 N 0.31 0.92 -0.62 0.00 2.07 -0.36 0.22 116.25 118.79 3kc0 h VAL 41 Ca 0.09 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kc0 h VAL 41 Cb -0.03 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3kc0 h VAL 41 CO -0.03 0.13 0.38 0.11 0.02 0.00 0.00 177.57 178.19 3kc0 h LYS 42 N 0.73 0.84 -0.34 1.57 1.57 -0.79 0.11 116.57 120.26 3kc0 h LYS 42 Ca 0.35 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3kc0 h LYS 42 Cb 0.30 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3kc0 h LYS 42 CO -0.23 0.59 0.20 0.00 -0.57 0.00 0.00 179.45 179.45 3kc0 h ALA 43 N 1.20 0.44 -0.34 3.86 0.00 -0.13 -1.23 119.26 123.05 3kc0 h ALA 43 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kc0 h ALA 43 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kc0 h ALA 43 CO -0.04 -0.06 0.22 0.82 0.00 0.00 0.00 179.25 180.18 3kc0 h ILE 44 N 0.44 1.09 -0.50 0.00 2.04 -0.11 -2.09 117.51 118.38 3kc0 h ILE 44 Ca 0.12 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.89 3kc0 h ILE 44 Cb 0.01 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 3kc0 h ILE 44 CO -0.02 0.09 0.10 -1.28 0.00 0.00 0.00 178.15 177.04 3kc0 h SER 45 N 0.46 0.01 -0.26 1.72 0.87 -0.41 0.46 113.55 116.39 3kc0 h SER 45 Ca 0.12 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3kc0 h SER 45 Cb -0.05 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 3kc0 h SER 45 CO -0.03 0.03 0.06 -1.28 -0.53 0.00 0.00 176.83 175.09 3kc0 h SER 46 N 0.24 0.04 -0.36 6.23 0.87 -0.89 -0.87 113.55 118.81 3kc0 h SER 46 Ca 0.25 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3kc0 h SER 46 Cb 0.34 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3kc0 h SER 46 CO -0.33 0.05 0.12 0.00 -0.53 0.00 0.00 176.83 176.14 3kc0 h ALA 47 N 1.18 0.47 -0.82 6.23 0.00 -0.60 -2.55 119.26 123.18 3kc0 h ALA 47 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kc0 h ALA 47 Cb 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kc0 h ALA 47 CO -0.15 0.11 0.54 0.28 0.00 0.00 0.00 179.25 180.04 3kc0 h VAL 48 N 0.44 1.19 0.00 0.00 2.07 0.21 0.18 116.25 120.34 3kc0 h VAL 48 Ca 0.12 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kc0 h VAL 48 Cb 0.24 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3kc0 h VAL 48 CO -0.00 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.32 3kc0 n ARG 49 N -4.42 0.89 -2.51 1.57 3.00 -0.36 -4.87 116.66 109.97 3kc0 n ARG 49 Ca 0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.77 3kc0 n ARG 49 Cb 0.05 -1.12 0.01 0.00 0.00 0.00 0.00 32.46 31.39 3kc0 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kc0 n LYS 50 N -0.35 -2.23 -1.75 5.56 4.76 0.05 -4.96 118.16 119.24 3kc0 n LYS 50 Ca 0.00 0.77 -0.42 0.00 -2.87 0.00 0.00 58.31 55.80 3kc0 n LYS 50 Cb 0.06 -5.21 -0.03 0.00 -1.84 0.00 0.00 35.03 28.01 3kc0 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc0 s ALA 51 N -2.90 3.89 0.00 7.82 0.00 -0.98 -1.87 121.76 127.72 3kc0 s ALA 51 Ca 0.08 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3kc0 s ALA 51 Cb -0.04 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3kc0 s ALA 51 CO 0.10 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3kc0 n GLY 52 N 3.61 0.87 0.34 0.00 0.00 -1.26 -4.86 105.19 103.88 3kc0 n GLY 52 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.35 3kc0 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc0 h ILE 53 N 0.00 0.20 -0.58 -0.61 2.10 -1.78 -0.35 117.51 116.50 3kc0 h ILE 53 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.96 3kc0 h ILE 53 Cb 0.00 0.83 -0.03 0.00 -1.09 0.00 0.00 36.82 36.53 3kc0 h ILE 53 CO 0.00 0.00 0.38 0.00 -1.08 0.00 0.00 178.15 177.45 3kc0 h ALA 54 N 1.70 1.63 -0.19 0.18 0.00 -1.90 -0.51 119.26 120.17 3kc0 h ALA 54 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3kc0 h ALA 54 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kc0 h ALA 54 CO -0.00 0.32 -0.35 0.45 0.00 0.00 0.00 179.25 179.68 3kc0 h HIS 55 N 0.74 0.45 0.00 0.00 3.86 -1.45 -1.65 115.15 117.10 3kc0 h HIS 55 Ca 0.22 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3kc0 h HIS 55 Cb -0.02 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3kc0 h HIS 55 CO -0.00 0.69 -0.21 1.25 0.86 0.00 0.00 177.93 180.53 3kc0 h LEU 56 N 0.34 0.00 -3.72 2.43 5.85 -1.16 -2.52 115.31 116.52 3kc0 h LEU 56 Ca 0.04 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 3kc0 h LEU 56 Cb 0.77 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.66 3kc0 h LEU 56 CO 0.06 0.21 0.28 -1.22 -0.34 0.00 0.00 178.44 177.42 3kc0 n TYR 57 N -3.82 2.35 -1.61 1.25 4.02 -0.71 -4.96 117.16 113.68 3kc0 n TYR 57 Ca -0.02 -1.29 -0.05 0.00 -0.01 0.00 0.00 57.90 56.53 3kc0 n TYR 57 Cb 0.30 -0.69 -0.01 0.00 -0.02 0.00 0.00 39.34 38.93 3kc0 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc0 n GLY 58 N -0.36 0.47 0.36 2.72 0.00 -0.95 -4.94 105.19 102.48 3kc0 n GLY 58 Ca 0.42 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.77 3kc0 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc0 h ILE 59 N 0.00 0.93 -0.59 -0.61 2.10 -1.53 -0.87 117.51 116.95 3kc0 h ILE 59 Ca -0.11 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.61 3kc0 h ILE 59 Cb 0.70 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 3kc0 h ILE 59 CO 0.14 0.12 0.00 0.00 -1.08 0.00 0.00 178.15 177.33 3kc0 n ALA 60 N -2.47 3.19 0.00 0.18 0.00 -1.26 -5.07 120.51 115.08 3kc0 n ALA 60 Ca 0.12 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.85 3kc0 n ALA 60 Cb 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3kc0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 61 N 0.86 0.26 3.87 0.00 0.00 -0.33 -5.20 105.19 104.64 3kc0 n GLY 61 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 3kc0 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc0 s LYS 71 N -0.89 3.83 0.58 1.61 -2.85 -1.26 -4.75 119.74 116.00 3kc0 s LYS 71 Ca 0.00 0.28 -0.18 0.00 -1.00 0.00 0.00 55.97 55.07 3kc0 s LYS 71 Cb 0.00 -2.82 -0.10 0.00 -2.06 0.00 0.00 37.83 32.85 3kc0 s LYS 71 CO 0.00 0.43 0.35 1.17 0.10 0.00 0.00 175.35 177.40 3kc0 n LYS 72 N 0.36 0.36 -0.20 1.78 4.81 -1.26 -4.68 118.16 119.34 3kc0 n LYS 72 Ca -0.03 0.14 -0.05 0.00 -0.87 0.00 0.00 58.31 57.50 3kc0 n LYS 72 Cb 0.52 -1.54 0.05 0.00 0.02 0.00 0.00 35.03 34.08 3kc0 n LYS 72 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3kc0 h LEU 73 N 0.10 0.58 -0.69 3.14 5.85 -1.99 -1.57 115.31 120.74 3kc0 h LEU 73 Ca -0.44 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3kc0 h LEU 73 Cb 1.40 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 3kc0 h LEU 73 CO 0.45 0.41 0.31 -2.24 -0.34 0.00 0.00 178.44 177.03 3kc0 h ASP 74 N 0.70 0.91 -0.19 1.25 3.04 -1.94 0.12 116.42 120.32 3kc0 h ASP 74 Ca 0.23 -0.15 -0.01 0.00 -3.24 0.00 0.00 57.03 53.86 3kc0 h ASP 74 Cb 0.00 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 38.05 3kc0 h ASP 74 CO -0.09 0.81 0.08 0.58 -2.04 0.00 0.00 179.24 178.57 3kc0 h VAL 75 N 0.96 1.16 -0.60 4.15 2.07 -1.83 -0.45 116.25 121.71 3kc0 h VAL 75 Ca 0.23 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3kc0 h VAL 75 Cb 0.15 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3kc0 h VAL 75 CO -0.03 0.15 0.39 0.25 0.02 0.00 0.00 177.57 178.36 3kc0 h LEU 76 N 0.15 0.68 -0.60 2.57 5.85 -1.06 -0.25 115.31 122.65 3kc0 h LEU 76 Ca 0.06 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3kc0 h LEU 76 Cb 0.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kc0 h LEU 76 CO -0.01 0.49 0.38 0.28 -0.34 0.00 0.00 178.44 179.25 3kc0 h SER 77 N 0.81 0.64 -0.70 1.25 0.02 -0.53 -0.17 113.55 114.88 3kc0 h SER 77 Ca 0.22 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kc0 h SER 77 Cb -0.09 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3kc0 h SER 77 CO -0.05 0.46 0.20 -1.13 -1.14 0.00 0.00 176.83 175.17 3kc0 h ASN 78 N 0.77 1.03 -0.69 3.07 -1.24 -0.62 -2.20 115.58 115.70 3kc0 h ASN 78 Ca 0.23 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3kc0 h ASN 78 Cb -0.03 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.72 3kc0 h ASN 78 CO -0.08 0.98 0.37 0.44 -1.29 0.00 0.00 177.43 177.85 3kc0 h ASP 79 N 1.03 0.86 0.27 1.15 3.32 -0.33 -0.28 116.42 122.45 3kc0 h ASP 79 Ca 0.22 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kc0 h ASP 79 Cb 0.33 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kc0 h ASP 79 CO -0.00 0.72 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.03 3kc0 h LEU 80 N 0.94 -0.31 -0.19 1.55 3.38 -0.80 0.41 115.31 120.30 3kc0 h LEU 80 Ca 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kc0 h LEU 80 Cb 0.05 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kc0 h LEU 80 CO -0.04 -0.16 0.12 0.58 0.09 0.00 0.00 178.44 179.03 3kc0 h VAL 81 N -0.45 1.07 -0.04 1.22 2.07 -1.33 0.04 116.25 118.84 3kc0 h VAL 81 Ca -0.04 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kc0 h VAL 81 Cb 0.34 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3kc0 h VAL 81 CO 0.06 0.06 -0.18 0.24 0.02 0.00 0.00 177.57 177.78 3kc0 h MET 82 N 0.23 -0.26 -0.37 1.57 2.86 -0.98 0.27 114.93 118.25 3kc0 h MET 82 Ca 0.07 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3kc0 h MET 82 Cb 0.01 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3kc0 h MET 82 CO -0.01 -0.17 -0.01 -0.97 1.06 0.00 0.00 176.91 176.80 3kc0 h ASN 83 N -0.27 0.65 -0.61 1.22 -0.73 -0.80 -0.95 115.58 114.10 3kc0 h ASN 83 Ca 0.07 -0.32 -0.07 0.00 1.87 0.00 0.00 56.30 57.85 3kc0 h ASN 83 Cb 0.36 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 3kc0 h ASN 83 CO -0.20 0.81 0.11 0.24 -0.37 0.00 0.00 177.43 178.02 3kc0 h MET 84 N 0.48 1.02 -0.18 6.67 2.86 -0.85 -0.88 114.93 124.05 3kc0 h MET 84 Ca 0.10 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3kc0 h MET 84 Cb 0.48 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3kc0 h MET 84 CO 0.02 0.94 -0.14 -0.07 1.06 0.00 0.00 176.91 178.72 3kc0 h LEU 85 N 0.97 0.44 -0.28 1.22 3.38 -0.87 -2.67 115.31 117.50 3kc0 h LEU 85 Ca 0.20 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3kc0 h LEU 85 Cb 0.41 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kc0 h LEU 85 CO 0.01 0.80 0.13 0.11 0.09 0.00 0.00 178.44 179.58 3kc0 h LYS 86 N 0.09 0.27 0.00 1.13 1.57 -1.07 -1.96 116.57 116.60 3kc0 h LYS 86 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kc0 h LYS 86 Cb 0.66 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kc0 h LYS 86 CO 0.04 0.18 0.00 -1.13 -0.57 0.00 0.00 179.45 177.97 3kc0 n SER 87 N -4.98 0.00 0.16 0.86 3.41 -0.34 -2.51 113.62 110.22 3kc0 n SER 87 Ca -0.01 -0.34 0.06 0.00 -0.26 0.00 0.00 58.87 58.32 3kc0 n SER 87 Cb 0.07 -0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.01 3kc0 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kc0 h SER 88 N 0.00 0.00 -0.49 4.04 4.64 -0.99 -3.47 113.55 117.28 3kc0 h SER 88 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3kc0 h SER 88 Cb 0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.05 3kc0 h SER 88 CO 0.00 0.30 -0.19 0.49 -0.87 0.00 0.00 176.83 176.56 3kc0 n PHE 89 N -3.14 0.00 0.35 4.77 0.99 -1.05 -4.80 117.46 114.58 3kc0 n PHE 89 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.52 3kc0 n PHE 89 Cb 0.66 -2.07 0.04 0.00 -1.00 0.00 0.00 39.48 37.11 3kc0 n PHE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kc0 n ALA 90 N 1.19 2.47 -2.41 4.37 0.00 -1.26 -3.47 120.51 121.40 3kc0 n ALA 90 Ca -0.10 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 3kc0 n ALA 90 Cb 0.38 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 3kc0 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kc0 s THR 91 N -0.75 1.59 0.00 0.00 -4.23 -1.26 -1.04 115.64 109.94 3kc0 s THR 91 Ca 0.11 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3kc0 s THR 91 Cb 0.08 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.53 3kc0 s THR 91 CO 0.11 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.85 3kc0 s VAL 93 N -1.11 0.29 -0.15 0.00 1.01 -1.25 -1.50 120.40 117.69 3kc0 s VAL 93 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3kc0 s VAL 93 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.95 3kc0 s VAL 93 CO 0.00 0.23 -0.18 -0.76 0.00 0.00 0.00 175.10 174.38 3kc0 s LEU 94 N 1.71 2.31 -0.17 3.92 1.43 0.20 -1.60 118.68 126.48 3kc0 s LEU 94 Ca 0.01 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3kc0 s LEU 94 Cb -0.13 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3kc0 s LEU 94 CO -0.04 0.08 -0.14 -0.69 0.23 0.00 0.00 176.35 175.79 3kc0 s VAL 95 N 0.85 2.75 0.04 -1.59 1.01 0.32 0.41 120.40 124.19 3kc0 s VAL 95 Ca -0.05 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3kc0 s VAL 95 Cb -0.15 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3kc0 s VAL 95 CO -0.02 0.50 -0.16 -0.55 0.00 0.00 0.00 175.10 174.88 3kc0 s SER 96 N 0.96 1.86 0.43 3.32 0.15 -1.26 -0.93 113.70 118.23 3kc0 s SER 96 Ca -0.02 -0.46 0.14 0.00 0.70 0.00 0.00 55.95 56.30 3kc0 s SER 96 Cb -0.15 -0.13 1.01 0.00 -1.71 0.00 0.00 66.02 65.04 3kc0 s SER 96 CO -0.02 0.07 1.96 -0.08 1.20 0.00 0.00 173.24 176.38 3kc0 h GLU 97 N 4.95 0.43 0.00 5.44 4.22 -1.82 -1.72 114.58 126.07 3kc0 h GLU 97 Ca -0.39 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 58.97 3kc0 h GLU 97 Cb 1.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3kc0 h GLU 97 CO 0.44 0.28 -0.28 0.93 -2.18 0.00 0.00 179.01 178.21 3kc0 h GLU 98 N 0.44 0.00 -6.07 1.92 4.39 -1.95 -3.45 114.58 109.86 3kc0 h GLU 98 Ca 0.30 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.32 3kc0 h GLU 98 Cb 0.59 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.06 3kc0 h GLU 98 CO -0.09 0.28 -0.67 -0.51 -1.16 0.00 0.00 179.01 176.86 3kc0 s ASP 99 N -6.26 4.87 0.18 1.42 1.01 -0.65 -5.03 116.67 112.21 3kc0 s ASP 99 Ca 0.01 0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.23 3kc0 s ASP 99 Cb 0.10 -1.29 0.06 0.00 1.01 0.00 0.00 42.92 42.80 3kc0 s ASP 99 CO 0.66 0.36 1.56 0.50 0.21 0.00 0.00 175.17 178.47 3kc0 h LYS 100 N 5.24 0.91 -6.44 8.23 3.64 -1.87 -3.42 116.57 122.86 3kc0 h LYS 100 Ca -0.49 -0.40 -0.64 0.00 -1.27 0.00 0.00 60.65 57.85 3kc0 h LYS 100 Cb 1.18 -0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.84 3kc0 h LYS 100 CO 0.53 1.05 -0.70 -1.01 -2.27 0.00 0.00 179.45 177.06 3kc0 s HIS 101 N -4.59 2.81 0.50 1.91 3.76 -1.26 -4.99 115.29 113.44 3kc0 s HIS 101 Ca -0.10 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.45 3kc0 s HIS 101 Cb 0.12 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 32.33 3kc0 s HIS 101 CO 0.86 0.47 1.29 0.00 -0.85 0.00 0.00 174.74 176.51 3kc0 s ALA 102 N -1.43 2.92 -0.17 -1.40 0.00 -1.26 -4.81 121.76 115.61 3kc0 s ALA 102 Ca 0.24 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 3kc0 s ALA 102 Cb -0.10 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kc0 s ALA 102 CO 0.16 -1.08 0.37 0.42 0.00 0.00 0.00 175.76 175.63 3kc0 s ILE 103 N -1.38 5.24 -0.32 0.00 1.09 0.16 -4.92 121.20 121.08 3kc0 s ILE 103 Ca 0.67 0.70 -0.14 0.00 -1.10 0.00 0.00 60.65 60.78 3kc0 s ILE 103 Cb -0.36 -3.71 -0.02 0.00 -1.06 0.00 0.00 42.46 37.30 3kc0 s ILE 103 CO 0.44 0.32 0.29 -0.63 -0.10 0.00 0.00 174.94 175.26 3kc0 s ILE 104 N 0.81 5.23 0.29 2.92 -1.09 -1.26 -0.63 121.20 127.47 3kc0 s ILE 104 Ca 0.20 0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.37 3kc0 s ILE 104 Cb -0.14 -3.71 -0.11 0.00 -1.58 0.00 0.00 42.46 36.91 3kc0 s ILE 104 CO 0.07 0.03 1.60 -0.69 -1.23 0.00 0.00 174.94 174.72 3kc0 s VAL 105 N 1.88 2.05 0.55 2.92 1.01 -0.56 -4.92 120.40 123.33 3kc0 s VAL 105 Ca 0.09 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3kc0 s VAL 105 Cb -0.17 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 3kc0 s VAL 105 CO 0.11 0.01 1.08 -1.84 0.00 0.00 0.00 175.10 174.46 3kc0 n GLU 106 N 2.25 1.20 -0.34 2.72 0.28 -1.26 -4.76 120.64 120.73 3kc0 n GLU 106 Ca 0.08 0.45 0.16 0.00 -0.16 0.00 0.00 57.16 57.69 3kc0 n GLU 106 Cb 0.37 -2.26 0.36 0.00 1.43 0.00 0.00 31.44 31.34 3kc0 n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3kc0 h PRO 107 N 0.95 0.60 0.00 3.44 0.13 -1.99 -1.92 132.00 133.21 3kc0 h PRO 107 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3kc0 h PRO 107 Cb 1.34 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kc0 h PRO 107 CO 0.54 0.40 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 3kc0 n GLU 108 N -4.87 0.61 -0.16 0.86 4.71 -1.26 -2.90 120.64 117.63 3kc0 n GLU 108 Ca 0.26 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.42 3kc0 n GLU 108 Cb 0.69 -1.43 0.02 0.00 -1.01 0.00 0.00 31.44 29.71 3kc0 n GLU 108 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kc0 n LYS 109 N -0.93 0.74 -2.44 3.49 5.02 -0.73 -5.06 118.16 118.25 3kc0 n LYS 109 Ca 0.13 -1.15 -0.40 0.00 -2.02 0.00 0.00 58.31 54.87 3kc0 n LYS 109 Cb 0.06 -0.74 -0.04 0.00 -0.02 0.00 0.00 35.03 34.28 3kc0 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kc0 s ARG 110 N -0.62 4.53 0.31 1.97 0.52 -1.14 -3.90 118.95 120.61 3kc0 s ARG 110 Ca 0.05 1.81 0.01 0.00 -0.52 0.00 0.00 55.73 57.08 3kc0 s ARG 110 Cb 0.04 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 3kc0 s ARG 110 CO 0.00 0.11 0.05 0.41 0.02 0.00 0.00 175.30 175.90 3kc0 n GLY 111 N 1.03 3.63 0.57 -3.53 0.00 0.33 -4.67 105.19 102.55 3kc0 n GLY 111 Ca -0.00 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3kc0 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kc0 n LYS 112 N -0.74 1.78 -3.94 1.61 2.85 -1.15 -3.41 118.16 115.15 3kc0 n LYS 112 Ca -0.09 -1.14 -0.31 0.00 -1.05 0.00 0.00 58.31 55.72 3kc0 n LYS 112 Cb 0.43 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 33.30 3kc0 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kc0 s TYR 113 N -1.95 3.47 -0.08 5.58 2.02 -0.21 -0.16 117.35 126.03 3kc0 s TYR 113 Ca 0.36 0.22 0.03 0.00 -0.37 0.00 0.00 57.07 57.31 3kc0 s TYR 113 Cb 0.20 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3kc0 s TYR 113 CO 0.32 0.58 -0.18 0.08 -1.57 0.00 0.00 175.55 174.77 3kc0 s VAL 114 N -1.51 2.67 -0.07 0.71 1.01 0.45 -1.22 120.40 122.44 3kc0 s VAL 114 Ca 0.34 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3kc0 s VAL 114 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3kc0 s VAL 114 CO 0.27 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 175.11 3kc0 s VAL 115 N -0.17 1.23 -0.10 2.92 1.01 -0.63 -0.81 120.40 123.85 3kc0 s VAL 115 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3kc0 s VAL 115 Cb -0.14 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3kc0 s VAL 115 CO 0.03 0.38 -0.14 0.00 0.00 0.00 0.00 175.10 175.37 3kc0 s PHE 117 N 0.03 -0.52 -0.31 0.00 -0.71 -0.11 -0.37 117.98 115.98 3kc0 s PHE 117 Ca -0.05 0.33 -0.01 0.00 -1.04 0.00 0.00 56.93 56.16 3kc0 s PHE 117 Cb -0.14 0.54 0.06 0.00 -1.21 0.00 0.00 43.02 42.26 3kc0 s PHE 117 CO 0.04 -0.83 0.01 0.34 -1.34 0.00 0.00 175.22 173.45 3kc0 s ASP 118 N -2.70 4.88 0.36 1.98 -1.08 -0.04 -2.09 116.67 117.98 3kc0 s ASP 118 Ca 0.01 -1.43 0.05 0.00 -0.52 0.00 0.00 52.55 50.66 3kc0 s ASP 118 Cb -0.01 -1.70 0.72 0.00 -1.46 0.00 0.00 42.92 40.47 3kc0 s ASP 118 CO -0.12 -0.29 1.97 1.55 0.52 0.00 0.00 175.17 178.79 3kc0 h PRO 119 N 7.96 0.75 -1.95 4.34 0.13 -1.86 -1.81 132.00 139.56 3kc0 h PRO 119 Ca -0.19 -0.05 -0.38 0.00 -0.87 0.00 0.00 66.00 64.51 3kc0 h PRO 119 Cb 1.05 -0.17 -0.31 0.00 0.13 0.00 0.00 31.00 31.70 3kc0 h PRO 119 CO 0.54 0.50 -0.71 -1.17 -0.23 0.00 0.00 178.00 176.93 3kc0 s LEU 120 N -9.71 0.02 0.18 1.56 2.96 -1.24 -4.34 118.68 108.11 3kc0 s LEU 120 Ca -0.10 -1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 51.76 3kc0 s LEU 120 Cb 0.19 0.52 -0.08 0.00 0.50 0.00 0.00 46.19 47.33 3kc0 s LEU 120 CO 0.77 -0.24 1.13 -0.62 -1.32 0.00 0.00 176.35 176.07 3kc0 s ASP 121 N 1.25 7.21 0.00 3.68 2.15 0.99 -2.89 116.67 129.06 3kc0 s ASP 121 Ca 0.19 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.30 3kc0 s ASP 121 Cb -0.13 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3kc0 s ASP 121 CO -0.04 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 3kc0 n GLY 122 N 2.09 0.71 0.33 2.66 0.00 -1.26 -0.93 105.19 108.79 3kc0 n GLY 122 Ca 0.03 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 3kc0 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc0 h SER 123 N 0.00 0.00 -0.31 1.61 4.64 -1.88 -2.21 113.55 115.40 3kc0 h SER 123 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3kc0 h SER 123 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3kc0 h SER 123 CO 0.00 0.00 -0.09 0.28 -0.87 0.00 0.00 176.83 176.15 3kc0 h SER 124 N 0.00 0.71 -0.78 4.97 0.02 -1.91 -2.92 113.55 113.64 3kc0 h SER 124 Ca -0.00 -0.20 -0.48 0.00 -0.84 0.00 0.00 61.79 60.27 3kc0 h SER 124 Cb 0.00 -0.19 -0.27 0.00 0.14 0.00 0.00 62.40 62.09 3kc0 h SER 124 CO 0.00 0.84 0.28 0.59 -1.14 0.00 0.00 176.83 177.40 3kc0 n ASN 125 N -4.18 4.82 0.16 3.07 5.03 -0.84 -4.57 115.26 118.75 3kc0 n ASN 125 Ca 0.01 -3.74 0.02 0.00 0.87 0.00 0.00 54.58 51.74 3kc0 n ASN 125 Cb 0.34 -0.75 0.22 0.00 -1.02 0.00 0.00 39.78 38.57 3kc0 n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3kc0 h ILE 126 N 1.19 1.13 -1.05 2.41 2.10 -1.49 -3.19 117.51 118.62 3kc0 h ILE 126 Ca 0.47 -1.94 0.29 0.00 1.08 0.00 0.00 64.86 64.76 3kc0 h ILE 126 Cb 1.68 2.12 -0.06 0.00 -1.09 0.00 0.00 36.82 39.46 3kc0 h ILE 126 CO 1.01 0.51 0.72 0.44 -1.08 0.00 0.00 178.15 179.75 3kc0 h ASP 127 N 0.00 0.20 -0.30 2.19 3.32 -1.83 0.75 116.42 120.75 3kc0 h ASP 127 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kc0 h ASP 127 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3kc0 h ASP 127 CO 0.07 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 3kc0 n LEU 129 N 0.67 -1.31 -4.76 0.00 4.77 0.26 -4.99 117.00 111.64 3kc0 n LEU 129 Ca 0.16 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 3kc0 n LEU 129 Cb 0.38 -2.18 0.09 0.00 -2.33 0.00 0.00 43.42 39.38 3kc0 n LEU 129 CO 0.12 -0.51 0.72 0.54 -1.33 0.00 0.00 177.39 176.92 3kc0 s VAL 130 N -2.62 3.10 0.55 4.08 0.11 -1.25 -4.94 120.40 119.43 3kc0 s VAL 130 Ca 0.00 0.41 -0.21 0.00 -2.93 0.00 0.00 61.98 59.25 3kc0 s VAL 130 Cb 0.00 -2.86 -0.05 0.00 -1.53 0.00 0.00 36.38 31.93 3kc0 s VAL 130 CO 0.00 -0.42 1.15 -1.20 -3.33 0.00 0.00 175.10 171.31 3kc0 n SER 131 N -3.24 1.71 -4.22 3.54 7.64 -1.26 -4.83 113.62 112.97 3kc0 n SER 131 Ca 0.10 0.91 -0.12 0.00 1.01 0.00 0.00 58.87 60.77 3kc0 n SER 131 Cb 0.52 -1.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 3kc0 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kc0 s VAL 132 N -1.38 0.33 0.39 0.44 -7.23 -1.20 -4.76 120.40 106.99 3kc0 s VAL 132 Ca 0.73 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 3kc0 s VAL 132 Cb -0.44 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.29 3kc0 s VAL 132 CO 0.49 -0.29 0.79 -0.83 -0.31 0.00 0.00 175.10 174.95 3kc0 s GLY 133 N -3.15 0.42 -0.15 2.32 0.00 -0.10 -0.43 107.32 106.23 3kc0 s GLY 133 Ca 0.30 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.23 3kc0 s GLY 133 CO 0.07 -0.34 -0.15 -1.59 0.00 0.00 0.00 173.10 171.08 3kc0 s THR 134 N -2.24 1.64 -0.04 0.90 2.01 -0.56 0.33 115.64 117.68 3kc0 s THR 134 Ca 0.16 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 3kc0 s THR 134 Cb -0.05 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 3kc0 s THR 134 CO 0.12 0.47 0.01 -0.63 -0.69 0.00 0.00 174.62 173.90 3kc0 s ILE 135 N 1.36 4.28 -0.03 1.82 1.01 -0.68 -0.43 121.20 128.54 3kc0 s ILE 135 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3kc0 s ILE 135 Cb -0.13 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.49 3kc0 s ILE 135 CO -0.09 0.49 0.22 0.72 0.00 0.00 0.00 174.94 176.27 3kc0 s PHE 136 N -1.00 -0.11 -0.04 3.97 -0.71 -0.21 -0.86 117.98 119.02 3kc0 s PHE 136 Ca 0.17 0.21 0.01 0.00 -1.04 0.00 0.00 56.93 56.28 3kc0 s PHE 136 Cb -0.11 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 3kc0 s PHE 136 CO 0.07 -0.27 -0.03 0.20 -1.34 0.00 0.00 175.22 173.85 3kc0 s GLY 137 N -0.92 0.35 -0.16 1.99 0.00 0.50 -1.45 107.32 107.63 3kc0 s GLY 137 Ca -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.66 3kc0 s GLY 137 CO 0.02 0.49 -0.12 -0.42 0.00 0.00 0.00 173.10 173.07 3kc0 s ILE 138 N 0.93 2.98 0.29 0.90 1.01 0.80 -1.38 121.20 126.72 3kc0 s ILE 138 Ca -0.11 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 59.99 3kc0 s ILE 138 Cb -0.14 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 3kc0 s ILE 138 CO -0.01 0.50 -0.16 -0.31 0.00 0.00 0.00 174.94 174.96 3kc0 s TYR 139 N 0.77 2.36 -0.16 3.97 2.02 0.01 -0.21 117.35 126.10 3kc0 s TYR 139 Ca -0.05 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.21 3kc0 s TYR 139 Cb -0.15 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 3kc0 s TYR 139 CO 0.01 0.69 0.18 0.50 -1.57 0.00 0.00 175.55 175.36 3kc0 s ARG 140 N -3.55 4.03 0.03 -0.62 3.52 -1.26 -0.42 118.95 120.69 3kc0 s ARG 140 Ca 0.31 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 3kc0 s ARG 140 Cb -0.04 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 3kc0 s ARG 140 CO 0.16 0.40 1.97 1.17 -0.81 0.00 0.00 175.30 178.19 3kc0 n LYS 141 N 3.13 2.83 -0.04 5.12 4.81 0.77 -4.83 118.16 129.96 3kc0 n LYS 141 Ca -0.16 1.04 -0.15 0.00 -0.87 0.00 0.00 58.31 58.17 3kc0 n LYS 141 Cb 0.53 -2.99 -0.14 0.00 0.02 0.00 0.00 35.03 32.45 3kc0 n LYS 141 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3kc0 n LYS 142 N 7.47 0.69 -1.96 1.64 4.81 -1.26 -4.94 118.16 124.61 3kc0 n LYS 142 Ca 0.20 0.22 -0.31 0.00 -0.87 0.00 0.00 58.31 57.56 3kc0 n LYS 142 Cb 0.40 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.76 3kc0 n LYS 142 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kc0 s SER 143 N -6.43 6.30 0.00 3.14 0.15 -1.26 -4.99 113.70 110.60 3kc0 s SER 143 Ca -0.16 1.44 0.10 0.00 0.70 0.00 0.00 55.95 58.03 3kc0 s SER 143 Cb 0.07 -2.48 0.21 0.00 -1.71 0.00 0.00 66.02 62.12 3kc0 s SER 143 CO 0.78 -0.82 1.09 0.35 1.20 0.00 0.00 173.24 175.83 3kc0 n THR 144 N -2.55 0.64 -1.97 6.45 -2.24 -1.26 -5.02 114.28 108.34 3kc0 n THR 144 Ca 0.06 -0.82 -0.31 0.00 -2.27 0.00 0.00 64.05 60.71 3kc0 n THR 144 Cb 0.54 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3kc0 n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kc0 s ASP 145 N -0.95 6.28 0.15 3.42 -0.00 -1.26 -4.94 116.67 119.37 3kc0 s ASP 145 Ca 0.18 1.46 -0.29 0.00 -0.00 0.00 0.00 52.55 53.90 3kc0 s ASP 145 Cb 0.10 -2.48 -0.17 0.00 -0.00 0.00 0.00 42.92 40.38 3kc0 s ASP 145 CO 0.14 -0.83 0.61 -0.62 -0.00 0.00 0.00 175.17 174.47 3kc0 n GLU 146 N -2.53 0.00 -1.69 8.23 -0.58 -1.26 -4.71 120.64 118.10 3kc0 n GLU 146 Ca 0.06 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.37 3kc0 n GLU 146 Cb 0.54 -1.06 -0.02 0.00 -0.57 0.00 0.00 31.44 30.34 3kc0 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kc0 n PRO 147 N 1.06 2.10 -3.92 3.49 -0.04 -1.26 -4.98 135.00 131.45 3kc0 n PRO 147 Ca 0.18 0.74 -0.10 0.00 -0.04 0.00 0.00 63.50 64.28 3kc0 n PRO 147 Cb 0.20 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.28 3kc0 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kc0 s SER 148 N 0.03 0.14 0.61 3.54 1.04 -1.26 -5.00 113.70 112.80 3kc0 s SER 148 Ca 0.62 -1.07 0.32 0.00 0.48 0.00 0.00 55.95 56.30 3kc0 s SER 148 Cb -0.61 0.73 1.82 0.00 0.10 0.00 0.00 66.02 68.07 3kc0 s SER 148 CO 0.55 -1.42 2.15 1.05 0.98 0.00 0.00 173.24 176.55 3kc0 h GLU 149 N 2.08 0.00 0.00 4.02 4.11 -1.93 -0.99 114.58 121.87 3kc0 h GLU 149 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 3kc0 h GLU 149 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3kc0 h GLU 149 CO 0.36 0.00 -0.04 0.87 0.07 0.00 0.00 179.01 180.26 3kc0 h LYS 150 N 0.00 0.00 0.00 1.06 1.57 -1.96 -1.76 116.57 115.48 3kc0 h LYS 150 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kc0 h LYS 150 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kc0 h LYS 150 CO -0.00 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 3kc0 n ASP 151 N -3.71 0.01 -0.42 0.86 8.00 -0.37 -2.02 116.55 118.90 3kc0 n ASP 151 Ca -0.03 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.09 3kc0 n ASP 151 Cb 0.14 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 3kc0 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc0 n ALA 152 N -1.51 3.72 -2.08 2.24 0.00 -0.66 -4.59 120.51 117.63 3kc0 n ALA 152 Ca 0.04 -0.63 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 3kc0 n ALA 152 Cb 0.21 -0.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 3kc0 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc0 n LEU 153 N -0.25 7.94 -4.54 0.00 4.77 -0.86 -4.93 117.00 119.13 3kc0 n LEU 153 Ca 0.09 -4.95 -0.30 0.00 -0.03 0.00 0.00 56.01 50.82 3kc0 n LEU 153 Cb 0.45 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 3kc0 n LEU 153 CO 0.30 2.04 -0.45 -1.10 -1.33 0.00 0.00 177.39 176.86 3kc0 s GLN 154 N -1.51 2.08 0.40 3.23 -0.21 -1.26 -4.66 119.66 117.72 3kc0 s GLN 154 Ca 0.52 -1.02 -0.25 0.00 0.02 0.00 0.00 55.36 54.62 3kc0 s GLN 154 Cb 0.18 -2.26 -0.08 0.00 1.00 0.00 0.00 33.01 31.85 3kc0 s GLN 154 CO -0.10 0.52 1.17 -1.25 -2.12 0.00 0.00 175.29 173.51 3kc0 s PRO 155 N -1.97 4.07 0.58 2.91 0.04 -1.26 -4.65 135.00 134.72 3kc0 s PRO 155 Ca 0.19 1.84 0.36 0.00 0.04 0.00 0.00 61.00 63.42 3kc0 s PRO 155 Cb -0.11 -2.69 1.40 0.00 0.04 0.00 0.00 34.50 33.14 3kc0 s PRO 155 CO 0.11 -0.30 1.62 0.78 0.04 0.00 0.00 177.00 179.24 3kc0 h GLY 156 N 2.67 0.00 1.75 0.56 0.00 -1.55 0.26 103.07 106.76 3kc0 h GLY 156 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3kc0 h GLY 156 CO 0.63 0.00 0.13 -0.09 0.00 0.00 0.00 176.54 177.20 3kc0 h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.30 -0.83 114.38 126.69 3kc0 h ARG 157 Ca 0.57 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.45 3kc0 h ARG 157 Cb 2.62 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.20 3kc0 h ARG 157 CO -0.01 0.00 -0.13 0.09 2.80 0.00 0.00 179.97 182.73 3kc0 n ASN 158 N -3.00 1.05 -4.66 -3.80 3.02 0.93 -4.96 115.26 103.84 3kc0 n ASN 158 Ca -0.03 -1.06 -0.45 0.00 -0.03 0.00 0.00 54.58 53.02 3kc0 n ASN 158 Cb 0.19 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3kc0 n ASN 158 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kc0 n LEU 159 N -0.42 3.00 -0.01 3.41 4.77 -0.32 -4.60 117.00 122.82 3kc0 n LEU 159 Ca 0.16 1.15 0.01 0.00 -0.03 0.00 0.00 56.01 57.29 3kc0 n LEU 159 Cb 0.33 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 39.88 3kc0 n LEU 159 CO 0.22 -0.56 -0.65 0.52 -1.33 0.00 0.00 177.39 175.59 3kc0 n VAL 160 N 1.73 0.89 -3.54 4.08 0.31 0.71 -4.94 118.33 117.58 3kc0 n VAL 160 Ca 0.11 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.67 3kc0 n VAL 160 Cb 0.31 -0.44 -0.04 0.00 -0.91 0.00 0.00 33.84 32.77 3kc0 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kc0 s ALA 161 N -2.99 -1.88 -0.05 3.52 0.00 -1.15 -4.27 121.76 114.94 3kc0 s ALA 161 Ca -0.06 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 3kc0 s ALA 161 Cb 0.09 -0.11 0.11 0.00 0.00 0.00 0.00 23.12 23.22 3kc0 s ALA 161 CO 0.84 -0.51 1.01 0.00 0.00 0.00 0.00 175.76 177.11 3kc0 s ALA 162 N -2.14 -1.91 0.00 0.00 0.00 -0.28 -0.14 121.76 117.30 3kc0 s ALA 162 Ca 0.01 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3kc0 s ALA 162 Cb -0.01 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3kc0 s ALA 162 CO -0.03 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3kc0 n GLY 163 N -0.22 -1.03 3.47 0.00 0.00 -0.53 -0.12 105.19 106.77 3kc0 n GLY 163 Ca -0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3kc0 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kc0 s TYR 164 N -3.00 0.29 -0.15 1.61 1.13 -0.68 -1.04 117.35 115.51 3kc0 s TYR 164 Ca 0.00 -0.64 0.01 0.00 -1.41 0.00 0.00 57.07 55.03 3kc0 s TYR 164 Cb 0.00 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.99 3kc0 s TYR 164 CO 0.00 -0.87 -0.19 0.00 -2.51 0.00 0.00 175.55 171.98 3kc0 s ALA 165 N -3.97 2.36 -0.25 9.51 0.00 0.43 -0.26 121.76 129.58 3kc0 s ALA 165 Ca 0.18 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 3kc0 s ALA 165 Cb 0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3kc0 s ALA 165 CO 0.03 -0.05 0.11 -1.17 0.00 0.00 0.00 175.76 174.68 3kc0 s LEU 166 N 0.85 3.72 -1.06 0.00 2.96 0.26 -1.50 118.68 123.91 3kc0 s LEU 166 Ca -0.06 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3kc0 s LEU 166 Cb -0.15 -2.00 0.29 0.00 0.50 0.00 0.00 46.19 44.82 3kc0 s LEU 166 CO -0.02 0.00 1.26 -1.22 -1.32 0.00 0.00 176.35 175.06 3kc0 n TYR 167 N 4.69 3.60 0.00 5.38 4.01 0.43 -1.19 117.16 134.08 3kc0 n TYR 167 Ca -0.15 -3.27 0.00 0.00 -0.16 0.00 0.00 57.90 54.32 3kc0 n TYR 167 Cb 0.52 -1.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 3kc0 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc0 n GLY 168 N 1.87 2.05 0.34 2.72 0.00 -1.26 -3.25 105.19 107.67 3kc0 n GLY 168 Ca 0.25 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.52 3kc0 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc0 h SER 169 N 0.00 0.43 -5.01 1.61 4.64 -2.00 -3.42 113.55 109.80 3kc0 h SER 169 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3kc0 h SER 169 Cb 0.00 -0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 61.85 3kc0 h SER 169 CO 0.00 0.27 -0.67 0.00 -0.87 0.00 0.00 176.83 175.56 3kc0 s ALA 170 N -5.45 0.93 -0.22 5.18 0.00 -1.26 -5.14 121.76 115.80 3kc0 s ALA 170 Ca -0.08 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.33 3kc0 s ALA 170 Cb 0.19 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 3kc0 s ALA 170 CO 0.75 -0.37 0.26 0.99 0.00 0.00 0.00 175.76 177.38 3kc0 s THR 171 N -3.85 5.29 0.02 0.00 2.01 -1.26 -4.51 115.64 113.35 3kc0 s THR 171 Ca 0.18 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.62 3kc0 s THR 171 Cb 0.07 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 3kc0 s THR 171 CO -0.02 0.31 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.78 3kc0 s MET 172 N 1.14 0.89 -0.21 4.92 -2.45 -0.34 -0.83 119.30 122.42 3kc0 s MET 172 Ca 0.12 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 53.97 3kc0 s MET 172 Cb -0.14 -0.86 0.01 0.00 1.25 0.00 0.00 34.83 35.09 3kc0 s MET 172 CO 0.06 0.22 -0.12 -1.17 1.05 0.00 0.00 175.02 175.06 3kc0 s LEU 173 N -0.76 2.62 -0.28 4.11 2.96 -0.22 0.89 118.68 128.00 3kc0 s LEU 173 Ca 0.02 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 3kc0 s LEU 173 Cb -0.06 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3kc0 s LEU 173 CO 0.00 -0.03 0.18 -0.69 -1.32 0.00 0.00 176.35 174.49 3kc0 s VAL 174 N 1.36 5.21 -0.18 1.68 1.01 0.64 -1.45 120.40 128.66 3kc0 s VAL 174 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 3kc0 s VAL 174 Cb -0.14 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3kc0 s VAL 174 CO -0.08 0.24 -0.12 -0.22 0.00 0.00 0.00 175.10 174.92 3kc0 s LEU 175 N 1.74 2.59 -0.12 3.92 2.96 -0.34 -1.68 118.68 127.75 3kc0 s LEU 175 Ca 0.07 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3kc0 s LEU 175 Cb -0.16 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3kc0 s LEU 175 CO 0.10 0.03 -0.15 0.00 -1.32 0.00 0.00 176.35 175.01 3kc0 s ALA 176 N 1.14 2.52 0.36 5.97 0.00 0.84 -1.12 121.76 131.47 3kc0 s ALA 176 Ca 0.01 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.13 3kc0 s ALA 176 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3kc0 s ALA 176 CO -0.04 0.26 0.24 -1.64 0.00 0.00 0.00 175.76 174.58 3kc0 s MET 177 N 0.35 1.83 0.46 0.00 -1.94 -0.41 -1.13 119.30 118.47 3kc0 s MET 177 Ca -0.13 -2.08 0.23 0.00 -1.71 0.00 0.00 55.69 52.00 3kc0 s MET 177 Cb -0.16 0.07 1.24 0.00 2.01 0.00 0.00 34.83 37.99 3kc0 s MET 177 CO 0.06 -0.62 1.87 0.22 -0.01 0.00 0.00 175.02 176.54 3kc0 h ASP 178 N 2.02 0.25 0.23 3.03 1.82 -1.93 0.06 116.42 121.90 3kc0 h ASP 178 Ca -0.27 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 3kc0 h ASP 178 Cb 1.24 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.24 3kc0 h ASP 178 CO 0.41 0.09 -0.00 0.00 -1.61 0.00 0.00 179.24 178.13 3kc0 n GLY 180 N 1.12 0.53 3.40 0.00 0.00 0.01 -4.96 105.19 105.29 3kc0 n GLY 180 Ca 0.20 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 3kc0 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc0 s VAL 181 N -0.81 3.10 -0.01 1.61 1.01 -1.26 -1.29 120.40 122.75 3kc0 s VAL 181 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3kc0 s VAL 181 Cb 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3kc0 s VAL 181 CO 0.00 0.54 -0.11 0.20 0.00 0.00 0.00 175.10 175.72 3kc0 s ASN 182 N 0.14 1.34 -0.14 3.32 -0.87 -0.28 -0.43 114.94 118.02 3kc0 s ASN 182 Ca -0.06 -0.21 -0.03 0.00 -1.57 0.00 0.00 52.86 50.99 3kc0 s ASN 182 Cb -0.15 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.25 40.87 3kc0 s ASN 182 CO 0.05 0.13 -0.05 0.00 -2.57 0.00 0.00 177.10 174.66 3kc0 s PHE 184 N 0.19 2.42 -0.10 0.00 0.40 -0.53 -0.89 117.98 119.46 3kc0 s PHE 184 Ca -0.03 -0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 55.33 3kc0 s PHE 184 Cb -0.14 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.74 3kc0 s PHE 184 CO 0.03 -0.31 0.28 1.41 0.70 0.00 0.00 175.22 177.34 3kc0 s MET 185 N 0.10 3.95 -0.33 0.44 1.75 0.67 -1.06 119.30 124.82 3kc0 s MET 185 Ca -0.11 0.12 -0.24 0.00 -1.25 0.00 0.00 55.69 54.21 3kc0 s MET 185 Cb -0.16 -3.31 0.01 0.00 2.84 0.00 0.00 34.83 34.21 3kc0 s MET 185 CO 0.06 0.51 0.84 -1.17 -0.65 0.00 0.00 175.02 174.61 3kc0 s LEU 186 N -0.36 4.06 -0.62 4.11 2.96 -0.01 0.30 118.68 129.12 3kc0 s LEU 186 Ca 0.18 0.62 -0.22 0.00 -0.22 0.00 0.00 54.13 54.49 3kc0 s LEU 186 Cb -0.14 -3.15 0.07 0.00 0.50 0.00 0.00 46.19 43.47 3kc0 s LEU 186 CO 0.06 -0.72 0.91 -0.62 -1.32 0.00 0.00 176.35 174.67 3kc0 s ASP 187 N 1.72 6.21 0.58 3.68 -1.08 -0.28 -4.65 116.67 122.85 3kc0 s ASP 187 Ca 0.35 -0.89 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 3kc0 s ASP 187 Cb -0.13 -2.40 1.65 0.00 -1.46 0.00 0.00 42.92 40.58 3kc0 s ASP 187 CO 0.15 -1.33 2.12 1.55 0.52 0.00 0.00 175.17 178.19 3kc0 h PRO 188 N 9.44 0.00 -0.75 4.34 0.13 -1.94 0.19 132.00 143.40 3kc0 h PRO 188 Ca -0.28 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3kc0 h PRO 188 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 3kc0 h PRO 188 CO 1.14 0.00 0.50 0.00 -0.23 0.00 0.00 178.00 179.41 3kc0 h ALA 189 N 1.82 1.49 0.00 -0.56 0.00 -1.96 -3.25 119.26 116.79 3kc0 h ALA 189 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kc0 h ALA 189 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kc0 h ALA 189 CO -0.00 0.46 0.00 0.44 0.00 0.00 0.00 179.25 180.15 3kc0 n ILE 190 N -4.43 0.50 -3.75 0.00 -5.35 -0.86 -5.02 119.36 100.45 3kc0 n ILE 190 Ca 0.09 -0.58 -0.22 0.00 -0.27 0.00 0.00 62.75 61.77 3kc0 n ILE 190 Cb 0.06 0.83 0.02 0.00 -1.74 0.00 0.00 39.64 38.81 3kc0 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kc0 n GLY 191 N -0.25 -0.28 3.03 3.28 0.00 0.61 -4.98 105.19 106.59 3kc0 n GLY 191 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3kc0 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kc0 s GLU 192 N -6.09 1.03 -0.45 1.61 2.56 -1.18 -4.97 118.70 111.21 3kc0 s GLU 192 Ca 0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 54.97 54.39 3kc0 s GLU 192 Cb -0.00 -0.96 0.03 0.00 2.00 0.00 0.00 34.13 35.19 3kc0 s GLU 192 CO 0.83 0.15 0.83 -0.06 -0.56 0.00 0.00 175.26 176.45 3kc0 s PHE 193 N 0.09 2.97 -0.20 5.30 0.08 -1.26 -1.13 117.98 123.83 3kc0 s PHE 193 Ca -0.02 0.26 -0.16 0.00 0.12 0.00 0.00 56.93 57.14 3kc0 s PHE 193 Cb -0.08 -3.76 -0.04 0.00 -0.57 0.00 0.00 43.02 38.57 3kc0 s PHE 193 CO 0.00 -1.01 0.38 0.42 -0.10 0.00 0.00 175.22 174.91 3kc0 s ILE 194 N 3.44 5.21 -0.10 0.64 -1.09 0.15 -1.39 121.20 128.06 3kc0 s ILE 194 Ca 0.32 0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 59.13 3kc0 s ILE 194 Cb -0.11 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 3kc0 s ILE 194 CO 0.24 0.27 1.84 -0.22 -1.23 0.00 0.00 174.94 175.84 3kc0 s LEU 195 N 1.22 4.09 0.00 2.97 2.96 0.12 -0.24 118.68 129.80 3kc0 s LEU 195 Ca 0.18 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 3kc0 s LEU 195 Cb -0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3kc0 s LEU 195 CO 0.08 -1.24 0.40 1.33 -1.32 0.00 0.00 176.35 175.60 3kc0 n VAL 196 N 6.15 0.00 -3.30 1.68 0.24 -0.07 -4.73 118.33 118.30 3kc0 n VAL 196 Ca 0.21 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.34 61.99 3kc0 n VAL 196 Cb 0.43 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 3kc0 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kc0 s ASP 197 N -0.09 -0.07 0.05 -1.34 1.01 -1.10 -4.98 116.67 110.14 3kc0 s ASP 197 Ca 0.00 0.21 -0.13 0.00 0.71 0.00 0.00 52.55 53.34 3kc0 s ASP 197 Cb 0.00 1.33 -0.06 0.00 1.01 0.00 0.00 42.92 45.20 3kc0 s ASP 197 CO 0.00 -0.30 0.43 -0.75 0.21 0.00 0.00 175.17 174.75 3kc0 s LYS 198 N 2.61 3.87 -1.02 8.23 2.20 -1.26 -1.07 119.74 133.30 3kc0 s LYS 198 Ca 0.13 0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.81 3kc0 s LYS 198 Cb -0.15 -3.10 0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3kc0 s LYS 198 CO -0.20 0.61 0.51 -3.47 -0.36 0.00 0.00 175.35 172.44 3kc0 n ASP 199 N 1.33 -3.00 -4.76 1.43 2.03 -0.92 -4.85 116.55 107.81 3kc0 n ASP 199 Ca -0.10 -1.07 -0.39 0.00 0.52 0.00 0.00 54.79 53.74 3kc0 n ASP 199 Cb 0.52 -1.29 0.01 0.00 -0.72 0.00 0.00 41.12 39.65 3kc0 n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kc0 s VAL 200 N -3.83 2.37 -0.04 5.18 1.01 0.43 -4.84 120.40 120.68 3kc0 s VAL 200 Ca 0.37 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3kc0 s VAL 200 Cb -0.21 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3kc0 s VAL 200 CO 0.80 0.02 -0.03 -0.54 0.00 0.00 0.00 175.10 175.36 3kc0 s LYS 201 N -2.57 0.63 0.57 2.72 -0.14 -1.26 -4.44 119.74 115.25 3kc0 s LYS 201 Ca 0.63 -0.03 -0.18 0.00 -1.36 0.00 0.00 55.97 55.03 3kc0 s LYS 201 Cb -0.39 -0.72 -0.04 0.00 -1.68 0.00 0.00 37.83 35.00 3kc0 s LYS 201 CO 0.48 -0.11 1.12 -1.50 -0.76 0.00 0.00 175.35 174.58 3kc0 s ILE 202 N 1.02 3.22 0.55 2.17 2.07 0.77 -4.98 121.20 126.02 3kc0 s ILE 202 Ca -0.10 0.70 -0.21 0.00 -1.41 0.00 0.00 60.65 59.63 3kc0 s ILE 202 Cb -0.14 -3.25 -0.05 0.00 0.13 0.00 0.00 42.46 39.16 3kc0 s ILE 202 CO -0.01 -0.22 1.29 -0.54 -1.91 0.00 0.00 174.94 173.54 3kc0 s LYS 203 N -3.52 3.17 0.40 3.50 1.02 -1.26 -4.88 119.74 118.16 3kc0 s LYS 203 Ca 0.71 2.05 0.06 0.00 0.02 0.00 0.00 55.97 58.81 3kc0 s LYS 203 Cb -0.22 -2.18 0.82 0.00 -0.52 0.00 0.00 37.83 35.72 3kc0 s LYS 203 CO 0.31 -1.11 2.04 -0.22 -0.92 0.00 0.00 175.35 175.45 3kc0 h LYS 204 N 1.38 0.57 -2.91 1.68 3.64 -1.94 -3.39 116.57 115.59 3kc0 h LYS 204 Ca -0.51 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.70 3kc0 h LYS 204 Cb 1.29 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.75 3kc0 h LYS 204 CO 0.57 0.39 -0.29 0.21 -2.27 0.00 0.00 179.45 178.06 3kc0 s LYS 205 N -5.47 0.47 0.00 1.90 2.20 -1.26 -1.45 119.74 116.13 3kc0 s LYS 205 Ca -0.08 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 3kc0 s LYS 205 Cb 0.17 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 3kc0 s LYS 205 CO 0.74 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 3kc0 n GLY 206 N 2.51 3.91 0.26 5.54 0.00 -1.26 -4.72 105.19 111.42 3kc0 n GLY 206 Ca -0.15 -2.19 0.03 0.00 0.00 0.00 0.00 46.02 43.71 3kc0 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc0 n LYS 207 N -0.19 0.60 -4.58 1.61 5.02 -1.26 -4.76 118.16 114.60 3kc0 n LYS 207 Ca 0.00 -1.37 -0.23 0.00 -2.02 0.00 0.00 58.31 54.69 3kc0 n LYS 207 Cb 0.00 -0.81 -0.16 0.00 -0.02 0.00 0.00 35.03 34.05 3kc0 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kc0 s ILE 208 N -0.84 1.06 0.00 -0.18 -1.09 -1.26 0.11 121.20 119.00 3kc0 s ILE 208 Ca 0.08 -0.51 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 3kc0 s ILE 208 Cb 0.07 -0.92 -0.02 0.00 -1.58 0.00 0.00 42.46 40.01 3kc0 s ILE 208 CO 0.01 0.32 -0.25 -0.72 -1.23 0.00 0.00 174.94 173.06 3kc0 s TYR 209 N 0.14 2.26 -0.07 3.97 1.13 -0.72 -0.79 117.35 123.27 3kc0 s TYR 209 Ca -0.04 -0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 55.20 3kc0 s TYR 209 Cb -0.10 -1.42 0.03 0.00 -1.10 0.00 0.00 41.96 39.37 3kc0 s TYR 209 CO 0.01 0.02 -0.01 0.45 -2.51 0.00 0.00 175.55 173.51 3kc0 s SER 210 N -0.81 1.46 -0.20 -0.18 0.15 0.69 -3.14 113.70 111.67 3kc0 s SER 210 Ca 0.10 -0.11 -0.32 0.00 0.70 0.00 0.00 55.95 56.33 3kc0 s SER 210 Cb -0.10 -0.46 0.15 0.00 -1.71 0.00 0.00 66.02 63.90 3kc0 s SER 210 CO 0.00 -0.16 1.18 -1.48 1.20 0.00 0.00 173.24 173.98 3kc0 s LEU 211 N 1.71 -0.18 -0.67 3.45 2.34 -1.26 0.45 118.68 124.52 3kc0 s LEU 211 Ca 0.01 0.11 -0.27 0.00 0.06 0.00 0.00 54.13 54.05 3kc0 s LEU 211 Cb -0.13 1.46 0.00 0.00 -0.56 0.00 0.00 46.19 46.97 3kc0 s LEU 211 CO -0.04 -0.23 1.58 0.21 -1.06 0.00 0.00 176.35 176.80 3kc0 s ASN 212 N -1.60 5.71 0.00 1.48 3.84 -1.26 -4.83 114.94 118.27 3kc0 s ASN 212 Ca 0.06 -0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.32 3kc0 s ASN 212 Cb -0.01 -2.54 1.34 0.00 -0.55 0.00 0.00 41.25 39.49 3kc0 s ASN 212 CO -0.04 -2.11 1.73 -0.62 -2.79 0.00 0.00 177.10 173.26 3kc0 n GLU 213 N 9.26 0.73 0.25 0.43 1.02 -1.26 -2.71 120.64 128.37 3kc0 n GLU 213 Ca 0.12 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 3kc0 n GLU 213 Cb 0.51 -1.48 0.66 0.00 -0.02 0.00 0.00 31.44 31.11 3kc0 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kc0 h GLY 214 N 3.71 0.00 0.08 0.62 0.00 -2.06 -0.62 103.07 104.80 3kc0 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kc0 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kc0 n TYR 215 N -3.73 0.06 -0.31 5.60 4.01 -1.10 -4.33 117.16 117.37 3kc0 n TYR 215 Ca -0.02 -0.03 0.14 0.00 -0.16 0.00 0.00 57.90 57.83 3kc0 n TYR 215 Cb 0.26 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.59 3kc0 n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kc0 h ALA 216 N 3.49 1.28 -0.59 -0.72 0.00 -1.33 0.31 119.26 121.70 3kc0 h ALA 216 Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.30 3kc0 h ALA 216 Cb 0.10 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kc0 h ALA 216 CO 0.00 -0.53 0.41 -0.22 0.00 0.00 0.00 179.25 178.91 3kc0 h LYS 217 N 0.14 0.21 -0.21 0.00 3.64 -1.84 -2.23 116.57 116.28 3kc0 h LYS 217 Ca 0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 3kc0 h LYS 217 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3kc0 h LYS 217 CO -0.73 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 176.34 3kc0 n ASP 218 N -4.44 2.95 -4.74 4.20 8.00 0.10 -5.03 116.55 117.60 3kc0 n ASP 218 Ca 0.11 -1.87 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 3kc0 n ASP 218 Cb 0.51 -0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.54 3kc0 n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kc0 s PHE 219 N -1.43 2.20 0.35 1.24 0.08 -0.84 -3.40 117.98 116.17 3kc0 s PHE 219 Ca 0.28 1.55 -0.25 0.00 0.12 0.00 0.00 56.93 58.63 3kc0 s PHE 219 Cb 0.18 -3.50 -0.10 0.00 -0.57 0.00 0.00 43.02 39.03 3kc0 s PHE 219 CO 0.25 -2.49 0.98 0.16 -0.10 0.00 0.00 175.22 174.03 3kc0 s ASP 220 N -1.80 7.15 0.36 1.36 1.47 -1.26 -4.84 116.67 119.12 3kc0 s ASP 220 Ca 0.77 1.92 0.18 0.00 1.18 0.00 0.00 52.55 56.59 3kc0 s ASP 220 Cb -0.31 -2.58 1.17 0.00 -0.34 0.00 0.00 42.92 40.86 3kc0 s ASP 220 CO 0.40 -0.20 1.65 1.55 0.68 0.00 0.00 175.17 179.25 3kc0 h PRO 221 N 2.97 0.25 -0.28 2.11 0.13 -1.99 0.41 132.00 135.60 3kc0 h PRO 221 Ca -0.47 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3kc0 h PRO 221 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3kc0 h PRO 221 CO 0.64 0.17 0.15 0.00 -0.23 0.00 0.00 178.00 178.73 3kc0 h ALA 222 N 1.82 0.36 -0.45 -0.56 0.00 -1.91 -0.44 119.26 118.08 3kc0 h ALA 222 Ca 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 3kc0 h ALA 222 Cb 1.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3kc0 h ALA 222 CO -0.58 -0.11 0.23 0.28 0.00 0.00 0.00 179.25 179.07 3kc0 h VAL 223 N 0.34 1.17 -0.51 0.00 2.07 -1.33 -0.85 116.25 117.14 3kc0 h VAL 223 Ca 0.10 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3kc0 h VAL 223 Cb 0.06 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3kc0 h VAL 223 CO -0.02 0.19 0.24 0.74 0.02 0.00 0.00 177.57 178.74 3kc0 h THR 224 N 0.59 0.92 -0.32 2.57 2.02 -0.99 -1.15 112.91 116.55 3kc0 h THR 224 Ca 0.16 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3kc0 h THR 224 Cb 0.09 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3kc0 h THR 224 CO -0.02 0.09 0.05 -0.08 0.37 0.00 0.00 175.52 175.92 3kc0 h GLU 225 N 0.47 0.53 0.12 6.66 4.81 -0.80 -1.93 114.58 124.45 3kc0 h GLU 225 Ca 0.23 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kc0 h GLU 225 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3kc0 h GLU 225 CO -0.18 0.63 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.65 3kc0 h TYR 226 N 0.36 -0.42 -0.93 0.92 3.20 -0.78 -0.25 116.97 119.08 3kc0 h TYR 226 Ca 0.10 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.07 3kc0 h TYR 226 Cb 0.35 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 3kc0 h TYR 226 CO 0.02 -0.24 0.58 0.82 -1.64 0.00 0.00 178.16 177.70 3kc0 h ILE 227 N -0.33 0.97 -0.99 1.81 1.08 -1.21 -0.03 117.51 118.81 3kc0 h ILE 227 Ca 0.02 -0.33 0.06 0.00 -0.39 0.00 0.00 64.86 64.21 3kc0 h ILE 227 Cb 0.33 -0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 33.93 3kc0 h ILE 227 CO -0.07 0.18 0.65 1.56 -0.69 0.00 0.00 178.15 179.77 3kc0 h GLN 228 N 0.97 1.15 0.00 2.37 1.08 -0.55 -0.26 115.11 119.88 3kc0 h GLN 228 Ca 0.44 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 3kc0 h GLN 228 Cb 0.34 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3kc0 h GLN 228 CO -0.23 0.76 0.00 0.00 -0.95 0.00 0.00 178.83 178.41 3kc0 h ARG 229 N 1.19 0.00 0.06 1.46 3.08 0.74 0.92 114.38 121.83 3kc0 h ARG 229 Ca 0.42 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.20 3kc0 h ARG 229 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3kc0 h ARG 229 CO -0.16 0.00 -1.35 0.87 -1.07 0.00 0.00 179.97 178.26 3kc0 h LYS 230 N 0.00 0.13 0.00 0.04 6.56 -0.38 -3.03 116.57 119.89 3kc0 h LYS 230 Ca 0.00 -0.22 -0.25 0.00 -1.06 0.00 0.00 60.65 59.12 3kc0 h LYS 230 Cb 0.57 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.27 3kc0 h LYS 230 CO 0.00 0.99 -1.54 0.87 -2.06 0.00 0.00 179.45 177.71 3kc0 h LYS 231 N 0.04 0.00 -2.18 3.15 1.57 -1.08 -1.04 116.57 117.03 3kc0 h LYS 231 Ca -0.16 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.04 3kc0 h LYS 231 Cb 1.93 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.84 3kc0 h LYS 231 CO 0.14 0.48 -0.91 1.19 -0.57 0.00 0.00 179.45 179.78 3kc0 n PHE 232 N -3.03 0.96 -1.70 -1.35 3.72 0.30 -4.76 117.46 111.60 3kc0 n PHE 232 Ca -0.13 -3.75 -0.58 0.00 -0.05 0.00 0.00 57.45 52.94 3kc0 n PHE 232 Cb 0.98 -0.35 -0.07 0.00 -0.94 0.00 0.00 39.48 39.09 3kc0 n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kc0 n PRO 233 N 1.47 0.98 0.31 -1.08 -0.02 -1.14 -4.54 135.00 130.98 3kc0 n PRO 233 Ca 0.25 0.36 0.18 0.00 -2.02 0.00 0.00 63.50 62.26 3kc0 n PRO 233 Cb 0.48 -2.01 0.98 0.00 -0.02 0.00 0.00 33.50 32.93 3kc0 n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kc0 h PRO 234 N 6.55 0.00 -0.73 0.52 0.11 -1.92 -0.41 132.00 136.12 3kc0 h PRO 234 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3kc0 h PRO 234 Cb 1.33 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.39 3kc0 h PRO 234 CO 0.94 0.02 0.10 -0.40 -0.21 0.00 0.00 178.00 178.45 3kc0 n ASP 235 N -3.47 4.61 -1.69 -2.05 5.75 -1.26 -4.90 116.55 113.53 3kc0 n ASP 235 Ca -0.03 -2.86 -0.10 0.00 -0.01 0.00 0.00 54.79 51.80 3kc0 n ASP 235 Cb 0.12 -0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 39.51 3kc0 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kc0 n ASN 236 N 0.25 -2.89 -3.58 -1.12 3.02 -0.16 -4.93 115.26 105.85 3kc0 n ASN 236 Ca 0.27 0.25 -0.28 0.00 -0.03 0.00 0.00 54.58 54.79 3kc0 n ASN 236 Cb 1.10 -2.69 0.22 0.00 -0.61 0.00 0.00 39.78 37.80 3kc0 n ASN 236 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kc0 n SER 237 N -0.69 -1.40 -4.73 6.41 3.41 -1.26 -4.96 113.62 110.40 3kc0 n SER 237 Ca -0.11 -1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 56.86 3kc0 n SER 237 Cb 0.42 -0.95 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 3kc0 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc0 s ALA 238 N -3.30 3.31 0.53 7.33 0.00 -1.26 -4.61 121.76 123.76 3kc0 s ALA 238 Ca 0.68 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.13 3kc0 s ALA 238 Cb -0.05 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3kc0 s ALA 238 CO 0.51 -0.21 1.35 -2.14 0.00 0.00 0.00 175.76 175.26 3kc0 s PRO 239 N 0.25 3.24 0.59 0.00 0.02 -1.26 -4.92 135.00 132.92 3kc0 s PRO 239 Ca 0.51 2.22 -0.17 0.00 0.02 0.00 0.00 61.00 63.57 3kc0 s PRO 239 Cb -0.26 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.92 3kc0 s PRO 239 CO 0.31 -1.10 1.12 0.71 -0.33 0.00 0.00 177.00 177.71 3kc0 s TYR 240 N -1.31 2.66 0.43 6.54 1.51 -0.39 -5.03 117.35 121.76 3kc0 s TYR 240 Ca 0.70 1.55 -0.09 0.00 -1.01 0.00 0.00 57.07 58.21 3kc0 s TYR 240 Cb -0.40 -3.23 -0.06 0.00 -0.11 0.00 0.00 41.96 38.17 3kc0 s TYR 240 CO 0.48 -1.61 0.78 0.20 -1.11 0.00 0.00 175.55 174.29 3kc0 s GLY 241 N -2.16 1.82 -0.03 0.71 0.00 0.12 -4.85 107.32 102.94 3kc0 s GLY 241 Ca 0.70 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.18 3kc0 s GLY 241 CO 0.33 -0.09 -0.13 0.00 0.00 0.00 0.00 173.10 173.22 3kc0 s ALA 242 N -2.49 2.75 -0.16 3.20 0.00 -1.26 -1.76 121.76 122.04 3kc0 s ALA 242 Ca 0.50 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 3kc0 s ALA 242 Cb -0.10 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.07 3kc0 s ALA 242 CO 0.35 0.57 0.40 1.03 0.00 0.00 0.00 175.76 178.11 3kc0 s ARG 243 N -0.95 0.43 -0.29 0.00 1.81 -1.19 -4.99 118.95 113.78 3kc0 s ARG 243 Ca 0.13 0.64 0.03 0.00 -1.72 0.00 0.00 55.73 54.81 3kc0 s ARG 243 Cb -0.11 0.12 0.18 0.00 -0.45 0.00 0.00 34.95 34.69 3kc0 s ARG 243 CO 0.02 -0.10 0.51 -0.47 -0.68 0.00 0.00 175.30 174.59 3kc0 s TYR 244 N 0.69 -1.45 0.14 -0.53 5.04 -1.26 -4.18 117.35 115.80 3kc0 s TYR 244 Ca -0.04 0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 55.49 3kc0 s TYR 244 Cb -0.05 0.17 -0.09 0.00 0.35 0.00 0.00 41.96 42.34 3kc0 s TYR 244 CO -0.05 -0.99 1.31 0.28 -1.34 0.00 0.00 175.55 174.77 3kc0 h VAL 245 N 6.07 1.48 0.00 3.14 2.07 -1.98 -3.48 116.25 123.55 3kc0 h VAL 245 Ca -0.08 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.75 3kc0 h VAL 245 Cb 1.16 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3kc0 h VAL 245 CO 0.22 0.79 0.00 0.61 0.02 0.00 0.00 177.57 179.20 3kc0 n GLY 246 N 1.03 2.95 3.44 2.17 0.00 -1.26 -5.00 105.19 108.51 3kc0 n GLY 246 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3kc0 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kc0 s SER 247 N -1.24 5.70 0.22 1.61 0.15 -1.26 -4.92 113.70 113.97 3kc0 s SER 247 Ca 0.00 -0.63 -0.09 0.00 0.70 0.00 0.00 55.95 55.94 3kc0 s SER 247 Cb 0.00 -2.04 0.35 0.00 -1.71 0.00 0.00 66.02 62.62 3kc0 s SER 247 CO 0.00 -0.25 1.68 -0.03 1.20 0.00 0.00 173.24 175.84 3kc0 h MET 248 N 8.41 0.21 -0.57 5.44 4.05 -1.94 -0.61 114.93 129.92 3kc0 h MET 248 Ca -0.30 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.20 3kc0 h MET 248 Cb 1.14 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.82 3kc0 h MET 248 CO 0.63 0.14 0.17 0.28 0.23 0.00 0.00 176.91 178.36 3kc0 h VAL 249 N 0.21 0.74 -0.15 -5.77 2.07 -1.94 0.19 116.25 111.60 3kc0 h VAL 249 Ca 0.35 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3kc0 h VAL 249 Cb 0.56 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kc0 h VAL 249 CO -0.48 0.06 0.04 0.00 0.02 0.00 0.00 177.57 177.21 3kc0 h ALA 250 N 1.41 0.20 -0.62 1.67 0.00 -1.51 -1.52 119.26 118.89 3kc0 h ALA 250 Ca 0.29 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3kc0 h ALA 250 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kc0 h ALA 250 CO -0.32 -0.16 0.11 -0.44 0.00 0.00 0.00 179.25 178.44 3kc0 h ASP 251 N 0.06 0.98 -0.18 0.00 3.32 -0.72 -1.82 116.42 118.06 3kc0 h ASP 251 Ca 0.05 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.70 3kc0 h ASP 251 Cb 0.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3kc0 h ASP 251 CO -0.00 0.98 -0.41 0.58 -1.72 0.00 0.00 179.24 178.68 3kc0 h VAL 252 N 0.93 1.29 -0.59 -1.35 2.07 -0.63 -2.38 116.25 115.60 3kc0 h VAL 252 Ca 0.19 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 3kc0 h VAL 252 Cb 0.41 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3kc0 h VAL 252 CO 0.01 0.51 0.05 -0.74 0.02 0.00 0.00 177.57 177.42 3kc0 h HIS 253 N 0.59 1.05 -0.40 1.57 -0.00 -1.12 -0.39 115.15 116.44 3kc0 h HIS 253 Ca 0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 3kc0 h HIS 253 Cb 0.95 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 3kc0 h HIS 253 CO 0.05 0.91 0.20 -0.09 -0.00 0.00 0.00 177.93 179.00 3kc0 h ARG 254 N 0.91 0.58 -0.49 5.26 2.43 -1.25 -0.70 114.38 121.12 3kc0 h ARG 254 Ca 0.18 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3kc0 h ARG 254 Cb 0.47 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3kc0 h ARG 254 CO 0.02 0.49 0.20 1.15 -1.51 0.00 0.00 179.97 180.32 3kc0 h THR 255 N 0.52 0.87 -0.05 0.20 2.02 -0.98 0.60 112.91 116.10 3kc0 h THR 255 Ca 0.14 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3kc0 h THR 255 Cb 0.10 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3kc0 h THR 255 CO -0.02 0.07 0.00 0.25 0.37 0.00 0.00 175.52 176.19 3kc0 h LEU 256 N 0.39 -0.01 -0.04 2.58 5.85 -0.66 1.10 115.31 124.51 3kc0 h LEU 256 Ca 0.23 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3kc0 h LEU 256 Cb 0.21 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3kc0 h LEU 256 CO -0.21 0.00 -0.02 0.58 -0.34 0.00 0.00 178.44 178.45 3kc0 h VAL 257 N 0.02 1.33 0.00 1.05 2.07 -0.58 -3.35 116.25 116.80 3kc0 h VAL 257 Ca 0.02 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3kc0 h VAL 257 Cb 0.02 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3kc0 h VAL 257 CO -0.03 0.28 -1.08 -1.22 0.02 0.00 0.00 177.57 175.53 3kc0 n TYR 258 N -4.82 0.09 0.00 1.57 0.53 0.21 -4.90 117.16 109.83 3kc0 n TYR 258 Ca -0.08 0.03 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 3kc0 n TYR 258 Cb 0.24 -0.24 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3kc0 n TYR 258 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kc0 n GLY 259 N 1.42 -1.38 0.00 2.72 0.00 0.38 -4.68 105.19 103.65 3kc0 n GLY 259 Ca 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3kc0 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc0 n GLY 260 N -1.52 0.28 2.99 -0.02 0.00 -1.26 -4.51 105.19 101.15 3kc0 n GLY 260 Ca 0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 3kc0 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc0 s ILE 261 N 0.00 0.03 -0.05 -0.61 2.07 0.03 -0.41 121.20 122.26 3kc0 s ILE 261 Ca 0.00 -0.22 0.06 0.00 -1.41 0.00 0.00 60.65 59.08 3kc0 s ILE 261 Cb 0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 3kc0 s ILE 261 CO 0.00 -0.12 -0.22 0.12 -1.91 0.00 0.00 174.94 172.81 3kc0 s PHE 262 N -0.35 2.13 0.00 3.50 5.36 0.21 -0.22 117.98 128.61 3kc0 s PHE 262 Ca -0.04 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.33 3kc0 s PHE 262 Cb -0.03 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.24 3kc0 s PHE 262 CO 0.00 -0.18 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.04 3kc0 s LEU 263 N -0.12 2.04 -0.45 6.12 1.02 0.17 -1.77 118.68 125.69 3kc0 s LEU 263 Ca -0.03 -0.12 0.06 0.00 0.02 0.00 0.00 54.13 54.07 3kc0 s LEU 263 Cb -0.12 -0.13 0.22 0.00 0.02 0.00 0.00 46.19 46.18 3kc0 s LEU 263 CO 0.03 -0.01 0.64 0.00 0.02 0.00 0.00 176.35 177.03 3kc0 n TYR 264 N 2.79 -2.04 -1.81 0.29 4.19 -0.87 -4.27 117.16 115.44 3kc0 n TYR 264 Ca -0.14 -2.55 -0.29 0.00 3.31 0.00 0.00 57.90 58.23 3kc0 n TYR 264 Cb 0.58 0.70 0.10 0.00 0.49 0.00 0.00 39.34 41.21 3kc0 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kc0 s PRO 265 N 0.00 1.85 0.41 2.98 0.04 -1.26 -2.66 135.00 136.37 3kc0 s PRO 265 Ca 0.33 0.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.31 3kc0 s PRO 265 Cb 0.14 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 3kc0 s PRO 265 CO -0.16 -1.69 1.19 0.00 0.04 0.00 0.00 177.00 176.38 3kc0 s ALA 266 N -3.48 3.15 0.15 8.56 0.00 -1.26 -4.60 121.76 124.28 3kc0 s ALA 266 Ca 0.62 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.63 3kc0 s ALA 266 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3kc0 s ALA 266 CO 0.50 -0.58 0.14 -0.80 0.00 0.00 0.00 175.76 175.02 3kc0 s ASN 267 N -1.11 5.56 0.00 0.00 0.02 -0.95 -4.54 114.94 113.93 3kc0 s ASN 267 Ca 0.58 -0.10 0.02 0.00 -1.02 0.00 0.00 52.86 52.34 3kc0 s ASN 267 Cb -0.31 -1.47 0.12 0.00 0.02 0.00 0.00 41.25 39.61 3kc0 s ASN 267 CO 0.39 0.08 0.86 2.29 0.02 0.00 0.00 177.10 180.75 3kc0 n LYS 268 N -0.26 0.04 -0.04 -0.60 -0.00 -1.22 0.11 118.16 116.19 3kc0 n LYS 268 Ca -0.08 0.24 0.01 0.00 -0.00 0.00 0.00 58.31 58.48 3kc0 n LYS 268 Cb 0.54 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.92 3kc0 n LYS 268 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3kc0 n LYS 269 N -1.26 0.67 -3.34 -1.58 3.00 -1.26 -4.55 118.16 109.83 3kc0 n LYS 269 Ca 0.01 -0.06 -0.26 0.00 -0.00 0.00 0.00 58.31 58.01 3kc0 n LYS 269 Cb 0.02 -1.57 -0.08 0.00 0.00 0.00 0.00 35.03 33.40 3kc0 n LYS 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3kc0 n SER 270 N -2.55 1.49 -0.38 3.14 7.64 0.12 -4.99 113.62 118.08 3kc0 n SER 270 Ca -0.17 -2.94 0.31 0.00 1.01 0.00 0.00 58.87 57.08 3kc0 n SER 270 Cb 0.85 -0.65 0.57 0.00 -1.01 0.00 0.00 64.21 63.97 3kc0 n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kc0 h PRO 271 N 4.35 0.19 -1.00 1.43 0.11 -1.59 0.17 132.00 135.66 3kc0 h PRO 271 Ca 0.14 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.74 3kc0 h PRO 271 Cb 0.80 -0.04 -0.30 0.00 0.11 0.00 0.00 31.00 31.57 3kc0 h PRO 271 CO 0.59 0.12 0.64 0.09 -0.21 0.00 0.00 178.00 179.24 3kc0 n ASN 272 N -4.83 3.81 -0.38 -2.05 4.13 -1.26 -4.72 115.26 109.96 3kc0 n ASN 272 Ca 0.34 -3.56 0.05 0.00 1.68 0.00 0.00 54.58 53.09 3kc0 n ASN 272 Cb 1.21 -0.83 -0.01 0.00 -1.54 0.00 0.00 39.78 38.60 3kc0 n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kc0 n GLY 273 N -1.08 -1.47 0.05 7.41 0.00 0.57 -1.44 105.19 109.22 3kc0 n GLY 273 Ca 0.58 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 3kc0 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc0 n LYS 274 N -1.91 0.28 -1.94 1.61 4.81 -1.26 -4.61 118.16 115.14 3kc0 n LYS 274 Ca 0.00 0.05 -0.35 0.00 -0.87 0.00 0.00 58.31 57.15 3kc0 n LYS 274 Cb 0.17 -1.19 0.04 0.00 0.02 0.00 0.00 35.03 34.07 3kc0 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kc0 s LEU 275 N -5.54 3.58 0.13 3.14 1.43 -1.26 -4.79 118.68 115.36 3kc0 s LEU 275 Ca -0.13 2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.97 3kc0 s LEU 275 Cb 0.03 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.60 3kc0 s LEU 275 CO 0.22 -1.58 0.70 -0.13 0.23 0.00 0.00 176.35 175.79 3kc0 s ARG 276 N -3.58 4.44 -0.01 1.70 3.00 -1.26 -1.12 118.95 122.12 3kc0 s ARG 276 Ca 0.73 1.00 -0.25 0.00 0.00 0.00 0.00 55.73 57.21 3kc0 s ARG 276 Cb -0.26 -3.26 -0.19 0.00 0.00 0.00 0.00 34.95 31.25 3kc0 s ARG 276 CO 0.35 0.59 1.28 1.25 0.00 0.00 0.00 175.30 178.77 3kc0 h LEU 277 N 4.45 -0.10 -0.08 2.53 5.85 -1.42 0.78 115.31 127.33 3kc0 h LEU 277 Ca -0.48 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 57.89 3kc0 h LEU 277 Cb 1.21 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3kc0 h LEU 277 CO 0.65 0.32 0.04 -0.07 -0.34 0.00 0.00 178.44 179.04 3kc0 h LEU 278 N -0.53 0.06 -1.73 2.25 4.07 -1.79 -0.66 115.31 116.98 3kc0 h LEU 278 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3kc0 h LEU 278 Cb 0.44 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3kc0 h LEU 278 CO 0.02 0.04 0.00 0.00 -1.08 0.00 0.00 178.44 177.42 3kc0 n TYR 279 N -5.06 0.09 0.01 1.13 0.18 -1.26 -4.47 117.16 107.79 3kc0 n TYR 279 Ca -0.05 -0.13 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3kc0 n TYR 279 Cb 0.04 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 3kc0 n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kc0 n GLU 280 N 0.43 0.00 0.11 -3.48 1.02 -0.94 -4.40 120.64 113.39 3kc0 n GLU 280 Ca 0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 3kc0 n GLU 280 Cb 0.26 -0.44 -0.06 0.00 -0.02 0.00 0.00 31.44 31.18 3kc0 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc0 h ASN 282 N -0.98 -0.50 -0.36 0.00 -0.26 -1.35 0.35 115.58 112.47 3kc0 h ASN 282 Ca -0.04 0.08 0.07 0.00 -0.56 0.00 0.00 56.30 55.86 3kc0 h ASN 282 Cb 0.47 0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 37.87 3kc0 h ASN 282 CO 0.06 -0.23 -0.12 -0.65 -1.06 0.00 0.00 177.43 175.43 3kc0 h PRO 283 N -0.26 -0.04 -0.54 0.81 0.11 -1.78 0.30 132.00 130.60 3kc0 h PRO 283 Ca 0.06 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3kc0 h PRO 283 Cb 0.35 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3kc0 h PRO 283 CO -0.19 -0.03 0.04 0.52 -0.21 0.00 0.00 178.00 178.14 3kc0 h MET 284 N -0.04 0.89 -0.46 1.05 2.86 -1.46 -1.45 114.93 116.31 3kc0 h MET 284 Ca 0.18 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3kc0 h MET 284 Cb 0.31 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3kc0 h MET 284 CO -0.39 0.85 0.25 0.00 1.06 0.00 0.00 176.91 178.68 3kc0 h ALA 285 N 1.21 0.59 -0.32 6.32 0.00 0.85 -0.75 119.26 127.16 3kc0 h ALA 285 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kc0 h ALA 285 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kc0 h ALA 285 CO 0.02 0.12 0.18 -0.92 0.00 0.00 0.00 179.25 178.65 3kc0 h TYR 286 N 0.60 0.42 -0.24 0.00 3.20 -0.14 -1.26 116.97 119.56 3kc0 h TYR 286 Ca 0.16 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3kc0 h TYR 286 Cb 0.06 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3kc0 h TYR 286 CO -0.02 0.32 0.12 0.28 -1.64 0.00 0.00 178.16 177.23 3kc0 h VAL 287 N 0.40 1.00 0.06 1.81 2.07 -1.00 -1.83 116.25 118.76 3kc0 h VAL 287 Ca 0.11 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3kc0 h VAL 287 Cb 0.03 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3kc0 h VAL 287 CO -0.02 0.05 -0.11 0.24 0.02 0.00 0.00 177.57 177.74 3kc0 h MET 288 N 0.26 -0.22 -0.94 1.57 2.86 -0.92 -1.99 114.93 115.56 3kc0 h MET 288 Ca 0.10 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3kc0 h MET 288 Cb 0.02 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 3kc0 h MET 288 CO -0.06 -0.14 0.61 0.93 1.06 0.00 0.00 176.91 179.30 3kc0 h GLU 289 N -0.23 1.11 0.00 1.72 5.08 -1.04 0.57 114.58 121.80 3kc0 h GLU 289 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kc0 h GLU 289 Cb 0.25 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kc0 h GLU 289 CO -0.07 0.73 0.00 0.87 -1.00 0.00 0.00 179.01 179.54 3kc0 h LYS 290 N 1.14 0.00 -0.36 2.33 1.79 -1.17 -1.81 116.57 118.49 3kc0 h LYS 290 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3kc0 h LYS 290 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3kc0 h LYS 290 CO -0.14 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.23 3kc0 n ALA 291 N -2.07 2.45 -0.73 3.86 0.00 -0.22 -4.46 120.51 119.34 3kc0 n ALA 291 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3kc0 n ALA 291 Cb 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kc0 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 292 N 1.35 0.58 0.29 0.00 0.00 -0.68 -0.16 105.19 106.58 3kc0 n GLY 292 Ca 0.18 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3kc0 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc0 n GLY 293 N -2.73 2.42 3.27 -0.02 0.00 0.18 -4.49 105.19 103.82 3kc0 n GLY 293 Ca 0.00 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 3kc0 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kc0 s MET 294 N -2.19 1.11 -0.26 1.61 1.00 -0.85 -3.74 119.30 115.98 3kc0 s MET 294 Ca 0.04 -1.45 -0.02 0.00 0.00 0.00 0.00 55.69 54.26 3kc0 s MET 294 Cb -0.00 -0.76 0.13 0.00 0.00 0.00 0.00 34.83 34.20 3kc0 s MET 294 CO 0.02 0.11 0.34 0.00 0.00 0.00 0.00 175.02 175.49 3kc0 s ALA 295 N -3.10 -0.84 0.27 3.03 0.00 -1.26 -1.96 121.76 117.90 3kc0 s ALA 295 Ca 0.17 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.65 3kc0 s ALA 295 Cb 0.01 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3kc0 s ALA 295 CO 0.02 -1.44 -0.19 -0.08 0.00 0.00 0.00 175.76 174.06 3kc0 s THR 296 N 2.47 2.37 -1.56 0.00 -1.32 -0.13 -1.16 115.64 116.31 3kc0 s THR 296 Ca 0.10 -2.36 0.22 0.00 -1.21 0.00 0.00 61.69 58.44 3kc0 s THR 296 Cb -0.15 -2.25 -0.10 0.00 -1.51 0.00 0.00 72.50 68.49 3kc0 s THR 296 CO -0.22 -0.41 1.02 0.35 -2.21 0.00 0.00 174.62 173.16 3kc0 n THR 297 N -0.54 0.00 0.00 5.08 -2.24 0.14 -0.50 114.28 116.23 3kc0 n THR 297 Ca -0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3kc0 n THR 297 Cb 0.60 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3kc0 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc0 n GLY 298 N 1.46 2.98 0.07 3.38 0.00 -1.26 -4.71 105.19 107.10 3kc0 n GLY 298 Ca 0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 3kc0 n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc0 n LYS 299 N 0.00 0.67 -3.71 1.61 4.81 -1.26 -4.96 118.16 115.31 3kc0 n LYS 299 Ca 0.00 -0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 3kc0 n LYS 299 Cb 0.00 -1.59 -0.02 0.00 0.02 0.00 0.00 35.03 33.44 3kc0 n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3kc0 s GLU 300 N -2.86 1.25 0.20 1.64 -1.05 -1.26 -5.13 118.70 111.50 3kc0 s GLU 300 Ca -0.08 -0.65 -0.31 0.00 -0.15 0.00 0.00 54.97 53.78 3kc0 s GLU 300 Cb 0.09 0.45 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 3kc0 s GLU 300 CO 0.85 -0.57 1.50 0.00 0.95 0.00 0.00 175.26 177.99 3kc0 s ALA 301 N -3.41 3.70 0.25 -0.84 0.00 -1.26 -0.68 121.76 119.52 3kc0 s ALA 301 Ca 0.10 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 3kc0 s ALA 301 Cb -0.02 -3.59 0.51 0.00 0.00 0.00 0.00 23.12 20.02 3kc0 s ALA 301 CO 0.00 -0.76 1.73 0.28 0.00 0.00 0.00 175.76 177.01 3kc0 h VAL 302 N 3.79 0.65 -0.00 0.00 2.07 -1.43 0.17 116.25 121.49 3kc0 h VAL 302 Ca -0.44 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3kc0 h VAL 302 Cb 1.21 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3kc0 h VAL 302 CO 0.85 0.09 0.01 -0.07 0.02 0.00 0.00 177.57 178.46 3kc0 h LEU 303 N 0.48 0.00 0.00 2.57 4.07 -1.90 -2.43 115.31 118.09 3kc0 h LEU 303 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 3kc0 h LEU 303 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 3kc0 h LEU 303 CO -0.41 0.00 -0.62 0.47 -1.08 0.00 0.00 178.44 176.80 3kc0 n ASP 304 N -3.38 0.68 -4.71 -0.43 8.00 0.04 -0.80 116.55 115.96 3kc0 n ASP 304 Ca -0.03 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 3kc0 n ASP 304 Cb 0.08 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3kc0 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kc0 s VAL 305 N -3.16 2.64 -0.44 2.53 1.01 -0.92 -4.92 120.40 117.14 3kc0 s VAL 305 Ca 0.06 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 3kc0 s VAL 305 Cb 0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.32 3kc0 s VAL 305 CO 0.72 0.02 0.58 -0.63 0.00 0.00 0.00 175.10 175.78 3kc0 s ILE 306 N 1.77 4.91 0.66 2.22 1.01 -1.26 -4.27 121.20 126.24 3kc0 s ILE 306 Ca 0.73 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 3kc0 s ILE 306 Cb -0.44 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 37.86 3kc0 s ILE 306 CO 0.32 -0.58 1.19 -2.84 0.00 0.00 0.00 174.94 173.04 3kc0 s PRO 307 N 2.59 2.61 0.00 2.79 0.02 -1.26 -4.95 135.00 136.80 3kc0 s PRO 307 Ca 0.18 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3kc0 s PRO 307 Cb -0.16 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3kc0 s PRO 307 CO 0.16 -1.47 0.00 0.25 -0.33 0.00 0.00 177.00 175.62 3kc0 n THR 308 N -2.16 0.00 -3.83 0.99 -2.24 -1.26 -4.82 114.28 100.95 3kc0 n THR 308 Ca 0.13 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 3kc0 n THR 308 Cb 0.50 0.37 -0.17 0.00 -2.10 0.00 0.00 70.33 68.94 3kc0 n THR 308 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kc0 s ASP 309 N -1.29 0.53 0.59 3.42 1.01 -1.26 -5.04 116.67 114.63 3kc0 s ASP 309 Ca 0.00 0.00 0.29 0.00 0.71 0.00 0.00 52.55 53.55 3kc0 s ASP 309 Cb 0.00 -0.18 1.53 0.00 1.01 0.00 0.00 42.92 45.27 3kc0 s ASP 309 CO 0.00 -0.14 1.96 0.16 0.21 0.00 0.00 175.17 177.36 3kc0 h ILE 310 N 6.29 0.41 -0.27 0.77 3.07 -1.94 -0.90 117.51 124.94 3kc0 h ILE 310 Ca -0.37 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.04 3kc0 h ILE 310 Cb 1.13 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 3kc0 h ILE 310 CO 0.41 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.92 3kc0 n HIS 311 N -3.76 0.92 -2.12 0.16 8.25 -1.26 -4.49 115.22 112.92 3kc0 n HIS 311 Ca 0.06 -0.85 -0.36 0.00 -0.26 0.00 0.00 57.72 56.31 3kc0 n HIS 311 Cb 0.56 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 31.39 3kc0 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kc0 s GLN 312 N -2.71 3.32 0.64 -0.41 -2.07 -0.35 -4.84 119.66 113.24 3kc0 s GLN 312 Ca 0.41 1.81 -0.06 0.00 -1.82 0.00 0.00 55.36 55.70 3kc0 s GLN 312 Cb 0.33 -2.13 0.03 0.00 -1.09 0.00 0.00 33.01 30.15 3kc0 s GLN 312 CO 0.09 -0.93 0.95 1.03 -1.32 0.00 0.00 175.29 175.12 3kc0 s ARG 313 N -3.08 2.62 -0.28 9.60 3.00 -1.26 -1.22 118.95 128.33 3kc0 s ARG 313 Ca 0.72 -0.11 -0.21 0.00 0.00 0.00 0.00 55.73 56.13 3kc0 s ARG 313 Cb -0.30 -2.23 0.09 0.00 0.00 0.00 0.00 34.95 32.52 3kc0 s ARG 313 CO 0.34 -0.92 0.78 0.00 0.00 0.00 0.00 175.30 175.49 3kc0 s ALA 314 N -3.10 -1.90 0.62 2.13 0.00 -0.27 -4.60 121.76 114.64 3kc0 s ALA 314 Ca 0.57 2.18 -0.15 0.00 0.00 0.00 0.00 51.96 54.55 3kc0 s ALA 314 Cb -0.11 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 3kc0 s ALA 314 CO 0.45 -0.34 1.08 -2.14 0.00 0.00 0.00 175.76 174.81 3kc0 s PRO 315 N 0.94 3.12 -0.18 0.00 0.02 -1.23 -4.26 135.00 133.40 3kc0 s PRO 315 Ca -0.04 1.28 -0.11 0.00 0.02 0.00 0.00 61.00 62.14 3kc0 s PRO 315 Cb -0.05 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.53 3kc0 s PRO 315 CO -0.10 -0.98 0.45 0.54 -0.33 0.00 0.00 177.00 176.58 3kc0 s VAL 316 N -2.41 -0.02 -0.13 3.83 0.11 -1.09 -4.29 120.40 116.41 3kc0 s VAL 316 Ca 0.65 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.76 3kc0 s VAL 316 Cb -0.18 -0.66 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3kc0 s VAL 316 CO 0.39 0.03 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.51 3kc0 s ILE 317 N 1.20 0.89 0.19 7.04 1.09 0.35 -2.04 121.20 129.92 3kc0 s ILE 317 Ca -0.08 -0.38 -0.03 0.00 -1.10 0.00 0.00 60.65 59.07 3kc0 s ILE 317 Cb -0.07 -1.05 -0.03 0.00 -1.06 0.00 0.00 42.46 40.25 3kc0 s ILE 317 CO -0.11 0.19 0.17 -1.48 -0.10 0.00 0.00 174.94 173.61 3kc0 s LEU 318 N 1.74 1.13 0.00 2.97 0.05 -0.73 -0.96 118.68 122.89 3kc0 s LEU 318 Ca 0.03 -1.29 0.00 0.00 0.05 0.00 0.00 54.13 52.91 3kc0 s LEU 318 Cb -0.14 0.56 0.00 0.00 -2.05 0.00 0.00 46.19 44.56 3kc0 s LEU 318 CO -0.07 -0.86 0.00 0.61 -0.55 0.00 0.00 176.35 175.47 3kc0 n GLY 319 N -0.26 0.61 3.67 -3.48 0.00 -0.83 -0.62 105.19 104.29 3kc0 n GLY 319 Ca 0.00 -1.73 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 3kc0 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kc0 n SER 320 N 0.00 2.66 -0.05 1.61 7.64 0.45 -2.01 113.62 123.92 3kc0 n SER 320 Ca 0.00 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.97 3kc0 n SER 320 Cb 0.00 -1.43 -0.01 0.00 -1.01 0.00 0.00 64.21 61.75 3kc0 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kc0 h PRO 321 N 3.63 -0.12 -0.36 1.43 0.13 -1.74 -1.30 132.00 133.68 3kc0 h PRO 321 Ca -0.45 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 3kc0 h PRO 321 Cb 1.28 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 3kc0 h PRO 321 CO 0.71 -0.08 0.24 -0.44 -0.23 0.00 0.00 178.00 178.21 3kc0 h ASP 322 N -0.12 0.21 0.01 1.44 5.19 -1.59 0.10 116.42 121.65 3kc0 h ASP 322 Ca 0.13 -0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.37 3kc0 h ASP 322 Cb 0.33 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.80 3kc0 h ASP 322 CO -0.32 0.14 -0.67 0.44 -3.12 0.00 0.00 179.24 175.70 3kc0 h ASP 323 N 0.23 0.57 -0.38 6.45 3.45 -1.56 -2.01 116.42 123.18 3kc0 h ASP 323 Ca 0.16 -0.77 -0.06 0.00 0.43 0.00 0.00 57.03 56.79 3kc0 h ASP 323 Cb 0.33 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3kc0 h ASP 323 CO -0.03 1.27 0.02 0.58 -1.57 0.00 0.00 179.24 179.51 3kc0 h VAL 324 N -0.06 1.25 -0.94 -1.35 2.07 -0.85 -1.74 116.25 114.63 3kc0 h VAL 324 Ca -0.09 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3kc0 h VAL 324 Cb 1.38 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 3kc0 h VAL 324 CO 0.13 0.32 0.60 -0.07 0.02 0.00 0.00 177.57 178.57 3kc0 h LEU 325 N 0.49 0.97 -0.63 2.57 4.07 -0.86 -0.09 115.31 121.82 3kc0 h LEU 325 Ca 0.11 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 3kc0 h LEU 325 Cb 0.43 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 3kc0 h LEU 325 CO 0.02 0.64 0.21 -0.08 -1.08 0.00 0.00 178.44 178.14 3kc0 h GLU 326 N 1.12 0.98 -0.35 1.13 4.81 -1.00 -1.59 114.58 119.68 3kc0 h GLU 326 Ca 0.40 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3kc0 h GLU 326 Cb 0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3kc0 h GLU 326 CO -0.16 0.86 0.21 0.35 -0.73 0.00 0.00 179.01 179.54 3kc0 h PHE 327 N 0.91 0.46 -0.64 0.92 3.57 -0.36 -2.40 116.94 119.40 3kc0 h PHE 327 Ca 0.21 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3kc0 h PHE 327 Cb 0.28 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3kc0 h PHE 327 CO 0.02 0.33 0.42 -0.07 -2.23 0.00 0.00 178.31 176.78 3kc0 h LEU 328 N 0.45 0.55 -0.47 0.59 3.38 -0.65 0.32 115.31 119.48 3kc0 h LEU 328 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3kc0 h LEU 328 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kc0 h LEU 328 CO -0.02 0.35 0.19 0.11 0.09 0.00 0.00 178.44 179.16 3kc0 h LYS 329 N 0.62 0.70 -0.30 1.13 1.79 -0.81 -0.25 116.57 119.45 3kc0 h LYS 329 Ca 0.28 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 3kc0 h LYS 329 Cb 0.30 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3kc0 h LYS 329 CO -0.09 0.63 -0.36 0.28 -1.08 0.00 0.00 179.45 178.83 3kc0 h VAL 330 N 0.62 1.29 -0.59 0.50 2.07 -0.82 -1.89 116.25 117.42 3kc0 h VAL 330 Ca 0.16 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 3kc0 h VAL 330 Cb 0.19 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3kc0 h VAL 330 CO -0.01 0.49 0.36 0.22 0.02 0.00 0.00 177.57 178.64 3kc0 h TYR 331 N 0.56 0.78 -0.50 1.57 3.20 -0.01 -2.53 116.97 120.04 3kc0 h TYR 331 Ca 0.06 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 3kc0 h TYR 331 Cb 0.88 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3kc0 h TYR 331 CO 0.04 0.53 -0.10 0.93 -1.64 0.00 0.00 178.16 177.92 3kc0 h GLU 332 N 0.80 0.92 -0.38 1.82 5.08 -0.91 -2.25 114.58 119.66 3kc0 h GLU 332 Ca 0.21 -0.32 0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3kc0 h GLU 332 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3kc0 h GLU 332 CO -0.04 0.97 0.33 -0.22 -1.00 0.00 0.00 179.01 179.06 3kc0 h LYS 333 N 0.83 0.00 -0.69 2.33 3.64 -0.92 0.14 116.57 121.90 3kc0 h LYS 333 Ca 0.13 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.26 3kc0 h LYS 333 Cb 0.63 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.30 3kc0 h LYS 333 CO 0.04 0.00 0.27 0.72 -2.27 0.00 0.00 179.45 178.22 3kc0 n HIS 334 N -4.06 2.24 -1.05 1.91 8.25 -0.85 -5.11 115.22 116.55 3kc0 n HIS 334 Ca 0.06 -1.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 3kc0 n HIS 334 Cb 0.51 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3kc0 n HIS 334 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85