#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vjm n GLY 6 N 0.00 -1.37 0.07 1.09 0.00 -1.26 -4.98 105.19 98.74 1vjm n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vjm n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vjm n ARG 7 N -0.07 0.00 -0.34 1.61 5.12 -1.26 -4.68 116.66 117.05 1vjm n ARG 7 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 1vjm n ARG 7 Cb 0.40 -0.08 0.24 0.00 -1.16 0.00 0.00 32.46 31.85 1vjm n ARG 7 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1vjm n PRO 8 N -1.63 -0.08 0.00 5.56 -0.02 -1.26 0.07 135.00 137.65 1vjm n PRO 8 Ca 0.00 1.45 0.10 0.00 -2.02 0.00 0.00 63.50 63.04 1vjm n PRO 8 Cb 0.00 -2.27 0.61 0.00 -0.02 0.00 0.00 33.50 31.83 1vjm n PRO 8 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1vjm n GLU 9 N -5.47 0.68 -0.29 -0.52 0.00 -1.26 -3.98 120.64 109.80 1vjm n GLU 9 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.39 1vjm n GLU 9 Cb 0.66 -1.47 0.17 0.00 0.00 0.00 0.00 31.44 30.79 1vjm n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1vjm h TRP 10 N 0.00 0.85 -0.59 -1.84 5.08 -0.63 -1.51 115.95 117.31 1vjm h TRP 10 Ca 0.00 0.03 0.06 0.00 1.08 0.00 0.00 58.89 60.06 1vjm h TRP 10 Cb 0.00 -0.26 -0.03 0.00 -3.00 0.00 0.00 29.16 25.87 1vjm h TRP 10 CO 0.00 0.35 0.39 0.97 -1.28 0.00 0.00 178.44 178.87 1vjm h ILE 11 N 0.79 1.01 -0.13 0.12 6.09 -1.80 0.17 117.51 123.75 1vjm h ILE 11 Ca 0.40 -0.20 -0.20 0.00 -1.37 0.00 0.00 64.86 63.48 1vjm h ILE 11 Cb 0.36 0.37 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1vjm h ILE 11 CO -0.25 0.11 -0.73 -0.50 -3.07 0.00 0.00 178.15 173.70 1vjm h TRP 12 N 0.58 0.84 -0.24 2.19 -0.00 -1.58 -1.17 115.95 116.57 1vjm h TRP 12 Ca 0.25 -0.36 -0.07 0.00 -0.00 0.00 0.00 58.89 58.71 1vjm h TRP 12 Cb 0.25 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 1vjm h TRP 12 CO -0.00 1.16 -0.13 -0.07 -0.00 0.00 0.00 178.44 179.40 1vjm h LEU 13 N 0.43 0.53 -0.33 -4.49 4.07 -0.86 0.34 115.31 115.00 1vjm h LEU 13 Ca -0.04 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 1vjm h LEU 13 Cb 1.34 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1vjm h LEU 13 CO 0.14 0.83 0.14 0.00 -1.08 0.00 0.00 178.44 178.47 1vjm h ALA 14 N 0.72 0.43 -0.43 1.53 0.00 -0.67 0.67 119.26 121.50 1vjm h ALA 14 Ca 0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1vjm h ALA 14 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1vjm h ALA 14 CO 0.04 0.01 -0.17 1.25 0.00 0.00 0.00 179.25 180.37 1vjm h LEU 15 N 0.39 0.84 -0.21 0.00 5.85 -1.21 0.42 115.31 121.40 1vjm h LEU 15 Ca 0.11 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1vjm h LEU 15 Cb 0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1vjm h LEU 15 CO -0.01 1.00 0.04 1.23 -0.34 0.00 0.00 178.44 180.36 1vjm h GLY 16 N 0.96 0.37 0.76 3.75 0.00 -0.07 -0.75 103.07 108.08 1vjm h GLY 16 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1vjm h GLY 16 CO 0.05 0.22 -0.37 -0.84 0.00 0.00 0.00 176.54 175.61 1vjm h THR 17 N 0.14 0.25 0.18 4.70 2.02 0.67 -2.01 112.91 118.86 1vjm h THR 17 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1vjm h THR 17 Cb 0.30 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1vjm h THR 17 CO 0.00 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.79 1vjm h ALA 18 N -0.49 -0.26 0.00 6.16 0.00 -0.14 0.11 119.26 124.63 1vjm h ALA 18 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vjm h ALA 18 Cb 0.72 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1vjm h ALA 18 CO 0.02 -0.65 0.01 -0.07 0.00 0.00 0.00 179.25 178.55 1vjm h LEU 19 N -0.27 0.00 0.02 0.00 3.38 -1.13 0.49 115.31 117.80 1vjm h LEU 19 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 1vjm h LEU 19 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1vjm h LEU 19 CO 0.02 0.00 -1.91 0.80 0.09 0.00 0.00 178.44 177.44 1vjm n MET 20 N -2.68 0.66 0.02 1.13 1.56 -0.76 -3.37 117.12 113.68 1vjm n MET 20 Ca -0.02 0.23 -0.13 0.00 -0.27 0.00 0.00 57.70 57.51 1vjm n MET 20 Cb 0.06 -1.72 -0.09 0.00 2.15 0.00 0.00 33.22 33.62 1vjm n MET 20 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1vjm h GLY 21 N 3.20 -0.07 1.00 -5.12 0.00 0.25 -2.93 103.07 99.40 1vjm h GLY 21 Ca -0.37 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1vjm h GLY 21 CO 0.06 -0.02 0.41 1.41 0.00 0.00 0.00 176.54 178.40 1vjm h LEU 22 N -0.46 0.81 0.47 3.11 3.38 -0.82 -2.97 115.31 118.83 1vjm h LEU 22 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1vjm h LEU 22 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1vjm h LEU 22 CO 0.01 0.64 -0.48 1.23 0.09 0.00 0.00 178.44 179.92 1vjm h GLY 23 N 0.92 -1.24 -0.92 0.83 0.00 -1.59 -1.13 103.07 99.94 1vjm h GLY 23 Ca 0.24 0.58 0.23 0.00 0.00 0.00 0.00 47.33 48.38 1vjm h GLY 23 CO -0.05 -0.37 -0.07 2.41 0.00 0.00 0.00 176.54 178.47 1vjm n THR 24 N -5.36 -0.39 -0.12 4.70 -1.04 -1.11 0.31 114.28 111.28 1vjm n THR 24 Ca -0.11 2.06 -0.11 0.00 -2.04 0.00 0.00 64.05 63.85 1vjm n THR 24 Cb 0.44 -2.96 -0.02 0.00 -1.82 0.00 0.00 70.33 65.97 1vjm n THR 24 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1vjm h LEU 25 N 0.00 0.66 -2.08 -4.42 -0.00 -1.24 0.64 115.31 108.86 1vjm h LEU 25 Ca 0.52 -0.34 0.04 0.00 -0.00 0.00 0.00 57.88 58.09 1vjm h LEU 25 Cb 0.99 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1vjm h LEU 25 CO -0.90 0.84 0.09 0.22 -0.00 0.00 0.00 178.44 178.70 1vjm h TYR 26 N 0.46 0.00 0.05 1.13 3.20 0.11 -0.62 116.97 121.29 1vjm h TYR 26 Ca 0.09 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.69 1vjm h TYR 26 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1vjm h TYR 26 CO 0.04 0.00 -1.45 0.74 -1.64 0.00 0.00 178.16 175.85 1vjm h PHE 27 N 0.00 0.18 -0.02 -3.82 0.04 -0.50 0.26 116.94 113.08 1vjm h PHE 27 Ca 0.06 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1vjm h PHE 27 Cb 0.25 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1vjm h PHE 27 CO 0.00 1.16 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.80 1vjm h LEU 28 N 0.03 0.04 0.66 1.54 3.38 -0.21 -1.52 115.31 119.22 1vjm h LEU 28 Ca -0.20 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 1vjm h LEU 28 Cb 1.95 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1vjm h LEU 28 CO 0.12 0.44 -0.43 0.58 0.09 0.00 0.00 178.44 179.24 1vjm h VAL 29 N -0.37 0.12 -1.21 1.22 2.07 -1.25 0.11 116.25 116.94 1vjm h VAL 29 Ca 0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.87 1vjm h VAL 29 Cb 0.43 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1vjm h VAL 29 CO 0.00 0.00 0.83 0.50 0.02 0.00 0.00 177.57 178.92 1vjm h LYS 30 N -1.04 0.15 -0.11 1.57 3.64 -0.45 -0.05 116.57 120.27 1vjm h LYS 30 Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1vjm h LYS 30 Cb 0.85 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1vjm h LYS 30 CO 0.07 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.76 1vjm n GLY 31 N -1.63 0.64 0.28 5.01 0.00 -0.58 -4.43 105.19 104.47 1vjm n GLY 31 Ca 0.29 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1vjm n GLY 31 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1vjm h MET 32 N 3.00 0.00 -3.56 1.61 4.05 0.12 -3.06 114.93 117.10 1vjm h MET 32 Ca 0.00 0.00 -0.74 0.00 -0.28 0.00 0.00 59.70 58.68 1vjm h MET 32 Cb 0.68 0.00 -0.32 0.00 -0.80 0.00 0.00 31.60 31.16 1vjm h MET 32 CO 0.00 0.01 -0.04 0.20 0.23 0.00 0.00 176.91 177.31 1vjm s GLY 33 N -4.10 2.83 -0.30 1.39 0.00 -1.26 -4.96 107.32 100.93 1vjm s GLY 33 Ca -0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 44.72 41.08 1vjm s GLY 33 CO 0.61 1.20 0.66 0.14 0.00 0.00 0.00 173.10 175.71 1vjm s VAL 34 N -0.59 -0.93 -0.46 1.40 1.01 -1.16 -5.07 120.40 114.61 1vjm s VAL 34 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.25 1vjm s VAL 34 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1vjm s VAL 34 CO -0.08 0.00 0.47 -1.54 0.00 0.00 0.00 175.10 173.95 1vjm n SER 35 N 5.42 0.93 -4.66 3.32 3.41 -1.26 -4.77 113.62 116.02 1vjm n SER 35 Ca -0.04 -0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 1vjm n SER 35 Cb 0.51 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 1vjm n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vjm s ASP 36 N -0.82 6.84 0.23 4.04 2.15 -1.26 -4.89 116.67 122.96 1vjm s ASP 36 Ca 0.04 1.73 -0.02 0.00 0.43 0.00 0.00 52.55 54.73 1vjm s ASP 36 Cb 0.04 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.61 1vjm s ASP 36 CO 0.11 -0.85 1.22 -2.65 -0.17 0.00 0.00 175.17 172.83 1vjm n PRO 37 N 6.83 -0.07 0.14 4.34 -0.02 -1.26 0.12 135.00 145.08 1vjm n PRO 37 Ca 0.15 1.19 0.01 0.00 -2.02 0.00 0.00 63.50 62.83 1vjm n PRO 37 Cb 0.45 -1.84 0.16 0.00 -0.02 0.00 0.00 33.50 32.24 1vjm n PRO 37 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vjm h ASP 38 N 0.00 0.00 0.79 2.55 3.32 -1.90 -2.91 116.42 118.26 1vjm h ASP 38 Ca 0.43 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.32 1vjm h ASP 38 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1vjm h ASP 38 CO -0.76 0.57 -0.77 0.00 -1.72 0.00 0.00 179.24 176.56 1vjm h ALA 39 N 1.43 0.72 0.00 3.45 0.00 0.76 -2.37 119.26 123.25 1vjm h ALA 39 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1vjm h ALA 39 Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1vjm h ALA 39 CO 0.07 0.96 -0.11 0.87 0.00 0.00 0.00 179.25 181.04 1vjm h LYS 40 N 0.00 0.00 0.05 0.00 1.57 -0.58 -2.15 116.57 115.46 1vjm h LYS 40 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vjm h LYS 40 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1vjm h LYS 40 CO 0.10 0.11 -0.02 0.87 -0.57 0.00 0.00 179.45 179.94 1vjm h LYS 41 N 0.00 -0.06 -0.86 3.15 1.57 -1.31 -2.32 116.57 116.74 1vjm h LYS 41 Ca -0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 1vjm h LYS 41 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1vjm h LYS 41 CO 0.01 -0.04 0.65 0.74 -0.57 0.00 0.00 179.45 180.24 1vjm h PHE 42 N -0.76 0.00 0.25 -1.35 0.04 -1.45 -1.02 116.94 112.64 1vjm h PHE 42 Ca -0.01 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 1vjm h PHE 42 Cb 0.05 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.24 1vjm h PHE 42 CO 0.00 0.00 -1.43 1.88 -0.60 0.00 0.00 178.31 178.17 1vjm h TYR 43 N 0.00 0.96 -0.51 -0.55 0.05 -1.49 -2.98 116.97 112.45 1vjm h TYR 43 Ca 0.41 -0.70 0.05 0.00 0.05 0.00 0.00 58.73 58.54 1vjm h TYR 43 Cb 1.70 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 39.35 1vjm h TYR 43 CO 0.00 1.55 0.25 0.00 -1.05 0.00 0.00 178.16 178.91 1vjm h ALA 44 N 0.14 0.65 -0.67 3.88 0.00 -0.62 -2.72 119.26 119.93 1vjm h ALA 44 Ca -0.25 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1vjm h ALA 44 Cb 2.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 1vjm h ALA 44 CO 0.27 -0.10 0.24 0.82 0.00 0.00 0.00 179.25 180.48 1vjm h ILE 45 N 0.49 1.25 -0.69 0.00 2.04 -1.47 -2.96 117.51 116.16 1vjm h ILE 45 Ca 0.23 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1vjm h ILE 45 Cb 0.15 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1vjm h ILE 45 CO -0.17 0.31 0.00 0.35 0.00 0.00 0.00 178.15 178.65 1vjm n THR 46 N -4.37 1.16 -0.12 -0.27 -2.24 -1.13 -2.67 114.28 104.64 1vjm n THR 46 Ca 0.05 -1.04 -0.17 0.00 -2.27 0.00 0.00 64.05 60.62 1vjm n THR 46 Cb 0.19 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1vjm n THR 46 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1vjm n THR 47 N 1.46 1.39 -0.08 4.28 -1.04 -1.03 -4.52 114.28 114.73 1vjm n THR 47 Ca 0.24 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.05 61.60 1vjm n THR 47 Cb 0.66 -1.35 -0.05 0.00 -1.82 0.00 0.00 70.33 67.77 1vjm n THR 47 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1vjm h LEU 48 N 0.00 0.46 -0.61 -4.42 5.85 -1.63 -1.99 115.31 112.97 1vjm h LEU 48 Ca -0.54 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 57.91 1vjm h LEU 48 Cb 1.84 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 42.63 1vjm h LEU 48 CO -0.08 0.72 -0.35 0.58 -0.34 0.00 0.00 178.44 178.97 1vjm h VAL 49 N 0.19 0.15 0.00 1.05 2.07 -1.74 0.41 116.25 118.38 1vjm h VAL 49 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1vjm h VAL 49 Cb 0.53 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1vjm h VAL 49 CO 0.02 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.16 1vjm h PRO 50 N -0.16 0.00 -0.20 1.57 0.13 -1.72 -0.42 132.00 131.19 1vjm h PRO 50 Ca 0.23 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.38 1vjm h PRO 50 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1vjm h PRO 50 CO -0.69 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 177.13 1vjm h ALA 51 N 2.12 0.22 -0.09 -0.56 0.00 0.42 0.27 119.26 121.64 1vjm h ALA 51 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1vjm h ALA 51 Cb 0.90 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1vjm h ALA 51 CO 0.00 -0.37 -0.06 0.82 0.00 0.00 0.00 179.25 179.64 1vjm h ILE 52 N 0.14 1.34 -0.48 0.00 2.04 -0.46 -2.98 117.51 117.11 1vjm h ILE 52 Ca 0.09 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 64.88 1vjm h ILE 52 Cb 0.07 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1vjm h ILE 52 CO -0.11 0.32 0.32 0.00 0.00 0.00 0.00 178.15 178.68 1vjm h ALA 53 N 0.61 1.92 0.54 1.87 0.00 -0.88 -1.44 119.26 121.88 1vjm h ALA 53 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1vjm h ALA 53 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vjm h ALA 53 CO 0.02 0.00 -0.30 0.35 0.00 0.00 0.00 179.25 179.32 1vjm h PHE 54 N 0.42 -0.78 -0.66 0.00 3.57 -0.39 0.29 116.94 119.38 1vjm h PHE 54 Ca 0.21 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1vjm h PHE 54 Cb 0.29 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1vjm h PHE 54 CO -0.00 -0.47 0.42 1.79 -2.23 0.00 0.00 178.31 177.82 1vjm h THR 55 N -0.78 1.10 -0.20 4.41 1.35 -1.30 -1.92 112.91 115.57 1vjm h THR 55 Ca -0.07 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1vjm h THR 55 Cb 0.62 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1vjm h THR 55 CO 0.09 0.15 0.13 0.24 -0.25 0.00 0.00 175.52 175.88 1vjm h MET 56 N 0.82 0.26 -0.41 4.72 2.86 -0.95 0.51 114.93 122.74 1vjm h MET 56 Ca 0.26 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1vjm h MET 56 Cb -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1vjm h MET 56 CO -0.10 0.17 0.10 1.88 1.06 0.00 0.00 176.91 180.02 1vjm h TYR 57 N 0.27 0.61 -0.53 -0.22 0.05 -0.28 -1.20 116.97 115.67 1vjm h TYR 57 Ca 0.07 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1vjm h TYR 57 Cb -0.03 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1vjm h TYR 57 CO -0.07 0.53 0.12 1.25 -1.05 0.00 0.00 178.16 178.94 1vjm h LEU 58 N 0.59 0.81 -1.27 3.88 5.85 -0.67 0.35 115.31 124.84 1vjm h LEU 58 Ca 0.14 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1vjm h LEU 58 Cb 0.22 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1vjm h LEU 58 CO -0.00 0.84 0.02 0.77 -0.34 0.00 0.00 178.44 179.72 1vjm h SER 59 N 0.74 0.47 -0.38 1.25 4.64 -0.27 0.14 113.55 120.14 1vjm h SER 59 Ca 0.16 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1vjm h SER 59 Cb 0.35 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1vjm h SER 59 CO 0.00 0.53 -0.38 0.24 -0.87 0.00 0.00 176.83 176.35 1vjm h MET 60 N 0.49 0.92 -0.04 4.77 2.86 -0.41 0.28 114.93 123.80 1vjm h MET 60 Ca 0.11 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1vjm h MET 60 Cb 0.30 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1vjm h MET 60 CO 0.01 1.14 0.02 1.25 1.06 0.00 0.00 176.91 180.39 1vjm h LEU 61 N 0.74 0.05 -1.51 1.22 5.85 0.90 -2.52 115.31 120.04 1vjm h LEU 61 Ca 0.06 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1vjm h LEU 61 Cb 0.98 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1vjm h LEU 61 CO 0.09 0.13 0.00 -0.07 -0.34 0.00 0.00 178.44 178.25 1vjm h LEU 62 N -0.03 0.00 0.00 2.25 3.38 -0.78 -3.46 115.31 116.67 1vjm h LEU 62 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1vjm h LEU 62 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1vjm h LEU 62 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1vjm n GLY 63 N -0.27 0.89 0.14 0.83 0.00 -0.81 -5.00 105.19 100.97 1vjm n GLY 63 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1vjm n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1vjm h TYR 64 N 0.00 0.73 -0.31 1.61 5.03 -0.76 -3.35 116.97 119.93 1vjm h TYR 64 Ca 0.00 -0.54 -0.18 0.00 2.58 0.00 0.00 58.73 60.60 1vjm h TYR 64 Cb 0.00 -0.03 -0.09 0.00 1.55 0.00 0.00 36.73 38.16 1vjm h TYR 64 CO 0.00 1.59 0.23 0.41 -1.32 0.00 0.00 178.16 179.06 1vjm n GLY 65 N 1.78 3.06 3.22 1.82 0.00 -0.26 -4.84 105.19 109.97 1vjm n GLY 65 Ca -0.21 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1vjm n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vjm s LEU 66 N -1.08 2.20 -0.06 0.99 2.96 -1.26 -1.53 118.68 120.91 1vjm s LEU 66 Ca 0.19 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 1vjm s LEU 66 Cb 0.15 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 46.06 1vjm s LEU 66 CO 0.02 0.09 0.26 0.28 -1.32 0.00 0.00 176.35 175.68 1vjm s THR 67 N -0.90 0.03 0.03 3.68 -1.32 -0.04 -4.85 115.64 112.27 1vjm s THR 67 Ca 0.05 -0.28 -0.20 0.00 -1.21 0.00 0.00 61.69 60.05 1vjm s THR 67 Cb -0.09 -0.47 -0.06 0.00 -1.51 0.00 0.00 72.50 70.37 1vjm s THR 67 CO 0.02 -0.15 0.58 -0.04 -2.21 0.00 0.00 174.62 172.82 1vjm s MET 68 N -0.60 4.27 -0.07 7.08 -1.94 -1.26 0.32 119.30 127.10 1vjm s MET 68 Ca -0.07 0.73 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 1vjm s MET 68 Cb -0.04 -3.30 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1vjm s MET 68 CO 0.02 0.48 -0.04 0.08 -0.01 0.00 0.00 175.02 175.55 1vjm s VAL 69 N -0.57 0.60 -0.40 -6.03 1.01 0.24 -4.86 120.40 110.39 1vjm s VAL 69 Ca 0.30 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 1vjm s VAL 69 Cb -0.19 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1vjm s VAL 69 CO 0.18 0.27 1.01 -2.16 0.00 0.00 0.00 175.10 174.40 1vjm s PRO 70 N 1.41 3.82 -0.12 2.72 0.04 -1.25 0.24 135.00 141.86 1vjm s PRO 70 Ca -0.03 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 61.47 1vjm s PRO 70 Cb -0.13 -3.83 0.04 0.00 0.04 0.00 0.00 34.50 30.62 1vjm s PRO 70 CO -0.03 -1.09 0.45 -0.59 0.04 0.00 0.00 177.00 175.78 1vjm s PHE 71 N 3.81 -0.44 0.00 0.56 -0.12 0.11 -4.52 117.98 117.38 1vjm s PHE 71 Ca 0.42 0.97 0.00 0.00 -0.05 0.00 0.00 56.93 58.27 1vjm s PHE 71 Cb -0.10 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1vjm s PHE 71 CO 0.22 -0.32 0.00 0.41 -0.05 0.00 0.00 175.22 175.48 1vjm n GLY 72 N 2.20 0.45 1.05 1.99 0.00 -1.26 -2.09 105.19 107.53 1vjm n GLY 72 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1vjm n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vjm n GLY 73 N -1.86 0.68 3.11 -0.02 0.00 -1.26 -5.06 105.19 100.79 1vjm n GLY 73 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 1vjm n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vjm s GLU 74 N -0.96 0.67 -0.48 1.61 2.02 -0.89 -5.10 118.70 115.57 1vjm s GLU 74 Ca 0.00 -0.87 -0.23 0.00 0.02 0.00 0.00 54.97 53.89 1vjm s GLU 74 Cb 0.00 -0.52 0.03 0.00 0.10 0.00 0.00 34.13 33.74 1vjm s GLU 74 CO 0.00 0.10 0.79 -1.14 0.02 0.00 0.00 175.26 175.04 1vjm s GLN 75 N -1.75 3.34 -0.43 1.61 2.00 -1.26 0.09 119.66 123.26 1vjm s GLN 75 Ca -0.06 -0.27 -0.12 0.00 -2.00 0.00 0.00 55.36 52.92 1vjm s GLN 75 Cb -0.09 -3.99 0.07 0.00 0.80 0.00 0.00 33.01 29.79 1vjm s GLN 75 CO 0.01 -1.21 0.30 -0.80 -0.50 0.00 0.00 175.29 173.08 1vjm s ASN 76 N 2.37 5.84 -0.15 6.67 -0.87 0.65 -4.76 114.94 124.69 1vjm s ASN 76 Ca 0.27 -1.35 -0.29 0.00 -1.57 0.00 0.00 52.86 49.93 1vjm s ASN 76 Cb -0.13 -2.06 -0.05 0.00 -0.02 0.00 0.00 41.25 38.98 1vjm s ASN 76 CO 0.20 -0.55 1.90 -2.16 -2.57 0.00 0.00 177.10 173.92 1vjm s PRO 77 N 1.53 3.68 -0.40 -0.60 0.04 -1.25 -0.59 135.00 137.40 1vjm s PRO 77 Ca 0.03 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1vjm s PRO 77 Cb -0.23 -4.18 0.06 0.00 0.04 0.00 0.00 34.50 30.19 1vjm s PRO 77 CO 0.05 -1.46 0.23 0.42 0.04 0.00 0.00 177.00 176.28 1vjm s ILE 78 N 5.97 4.38 -0.66 0.56 -1.09 0.97 -4.84 121.20 126.48 1vjm s ILE 78 Ca 0.85 -1.16 -0.26 0.00 -2.23 0.00 0.00 60.65 57.85 1vjm s ILE 78 Cb -0.32 -3.57 -0.23 0.00 -1.58 0.00 0.00 42.46 36.75 1vjm s ILE 78 CO 0.34 -0.38 1.86 -1.22 -1.23 0.00 0.00 174.94 174.31 1vjm n TYR 79 N 4.96 1.26 0.28 3.97 4.01 -1.26 -0.86 117.16 129.52 1vjm n TYR 79 Ca -0.11 -1.01 0.18 0.00 -0.16 0.00 0.00 57.90 56.79 1vjm n TYR 79 Cb 0.44 -1.75 0.88 0.00 -0.31 0.00 0.00 39.34 38.61 1vjm n TYR 79 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1vjm h TRP 80 N 9.63 0.00 0.00 -0.72 5.08 -1.78 -0.71 115.95 127.45 1vjm h TRP 80 Ca 0.25 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.22 1vjm h TRP 80 Cb 0.79 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.95 1vjm h TRP 80 CO 1.11 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 178.25 1vjm h ALA 81 N 1.54 1.12 -0.16 0.11 0.00 -1.56 -0.02 119.26 120.29 1vjm h ALA 81 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1vjm h ALA 81 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1vjm h ALA 81 CO -0.00 0.03 -0.36 -0.09 0.00 0.00 0.00 179.25 178.83 1vjm h ARG 82 N 0.00 0.33 0.09 0.00 2.43 -1.36 0.11 114.38 115.98 1vjm h ARG 82 Ca -0.00 -0.15 -0.25 0.00 -0.81 0.00 0.00 59.98 58.77 1vjm h ARG 82 Cb 0.16 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1vjm h ARG 82 CO 0.00 0.65 -1.14 1.88 -1.51 0.00 0.00 179.97 179.85 1vjm h TYR 83 N 0.29 0.43 -0.69 2.20 0.05 -1.20 -2.57 116.97 115.48 1vjm h TYR 83 Ca 0.03 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 58.56 1vjm h TYR 83 Cb 0.77 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.44 1vjm h TYR 83 CO 0.02 1.20 0.45 0.00 -1.05 0.00 0.00 178.16 178.78 1vjm h ALA 84 N 0.69 1.66 0.63 3.88 0.00 -0.82 0.18 119.26 125.48 1vjm h ALA 84 Ca -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1vjm h ALA 84 Cb 1.85 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1vjm h ALA 84 CO 0.18 0.26 -0.30 0.22 0.00 0.00 0.00 179.25 179.61 1vjm h ASP 85 N 0.78 -0.72 -0.90 0.00 3.58 -0.58 -3.19 116.42 115.40 1vjm h ASP 85 Ca 0.28 0.02 0.21 0.00 0.42 0.00 0.00 57.03 57.97 1vjm h ASP 85 Cb 0.14 0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 1vjm h ASP 85 CO -0.08 -0.45 0.60 -0.50 -2.88 0.00 0.00 179.24 175.92 1vjm h TRP 86 N -0.98 0.46 -0.59 0.28 6.55 -1.04 -1.83 115.95 118.80 1vjm h TRP 86 Ca -0.09 0.01 -0.05 0.00 0.95 0.00 0.00 58.89 59.72 1vjm h TRP 86 Cb 0.65 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.78 1vjm h TRP 86 CO 0.05 0.12 0.18 1.25 -1.05 0.00 0.00 178.44 178.98 1vjm h LEU 87 N 0.34 0.84 0.00 -4.49 5.85 -0.64 -2.79 115.31 114.42 1vjm h LEU 87 Ca 0.46 -0.14 -0.25 0.00 0.84 0.00 0.00 57.88 58.80 1vjm h LEU 87 Cb 1.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1vjm h LEU 87 CO -0.15 0.79 -1.77 0.49 -0.34 0.00 0.00 178.44 177.46 1vjm n PHE 88 N -4.28 0.70 -0.09 1.25 3.72 -0.77 -4.30 117.46 113.70 1vjm n PHE 88 Ca 0.05 0.24 -0.17 0.00 -0.05 0.00 0.00 57.45 57.52 1vjm n PHE 88 Cb 0.21 -1.06 -0.11 0.00 -0.94 0.00 0.00 39.48 37.58 1vjm n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1vjm h THR 89 N 0.00 1.13 -0.76 4.37 1.35 -1.41 -3.34 112.91 114.26 1vjm h THR 89 Ca -0.28 -2.12 0.22 0.00 -0.55 0.00 0.00 66.41 63.68 1vjm h THR 89 Cb 1.84 2.40 -0.03 0.00 -1.73 0.00 0.00 68.15 70.64 1vjm h THR 89 CO 0.05 0.38 0.62 0.71 -0.25 0.00 0.00 175.52 177.03 1vjm h THR 90 N -1.00 0.45 -0.09 6.82 1.35 -1.73 0.40 112.91 119.12 1vjm h THR 90 Ca -0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.63 1vjm h THR 90 Cb 1.10 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1vjm h THR 90 CO -0.12 0.00 -0.09 -0.65 -0.25 0.00 0.00 175.52 174.41 1vjm h PRO 91 N 0.00 0.21 -0.26 4.72 0.11 -1.75 -2.26 132.00 132.77 1vjm h PRO 91 Ca 0.36 -0.11 0.08 0.00 0.11 0.00 0.00 66.00 66.43 1vjm h PRO 91 Cb 1.60 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.70 1vjm h PRO 91 CO -0.00 0.65 0.21 -0.07 -0.21 0.00 0.00 178.00 178.57 1vjm h LEU 92 N -0.21 0.00 -0.36 2.35 3.38 -0.40 0.37 115.31 120.44 1vjm h LEU 92 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1vjm h LEU 92 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1vjm h LEU 92 CO 0.02 0.00 -0.66 -0.07 0.09 0.00 0.00 178.44 177.82 1vjm h LEU 93 N 0.00 0.00 -0.27 1.67 3.38 -0.97 -2.41 115.31 116.71 1vjm h LEU 93 Ca 0.13 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1vjm h LEU 93 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1vjm h LEU 93 CO -0.00 0.66 -0.52 -0.07 0.09 0.00 0.00 178.44 178.60 1vjm h LEU 94 N 0.00 0.93 -0.43 1.67 4.07 0.22 -3.14 115.31 118.63 1vjm h LEU 94 Ca -0.01 -0.53 0.01 0.00 0.08 0.00 0.00 57.88 57.43 1vjm h LEU 94 Cb 1.35 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 1vjm h LEU 94 CO 0.09 1.29 0.28 -0.07 -1.08 0.00 0.00 178.44 178.94 1vjm h LEU 95 N 0.60 0.47 -0.76 1.67 4.07 -0.73 0.16 115.31 120.80 1vjm h LEU 95 Ca 0.01 -0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.04 1vjm h LEU 95 Cb 1.12 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 1vjm h LEU 95 CO 0.12 0.34 0.42 0.44 -1.08 0.00 0.00 178.44 178.68 1vjm h ASP 96 N 0.56 0.61 -0.06 -0.43 3.32 -1.48 -1.14 116.42 117.80 1vjm h ASP 96 Ca 0.16 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1vjm h ASP 96 Cb -0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1vjm h ASP 96 CO -0.05 0.37 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.55 1vjm h LEU 97 N 0.74 0.47 0.50 1.55 3.38 -1.33 -2.73 115.31 117.89 1vjm h LEU 97 Ca 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1vjm h LEU 97 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vjm h LEU 97 CO -0.22 0.71 -0.24 0.00 0.09 0.00 0.00 178.44 178.77 1vjm h ALA 98 N 1.34 -0.67 0.00 1.53 0.00 0.20 -3.13 119.26 118.53 1vjm h ALA 98 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1vjm h ALA 98 Cb 0.63 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1vjm h ALA 98 CO 0.05 -0.73 -0.15 -0.07 0.00 0.00 0.00 179.25 178.35 1vjm h LEU 99 N -0.98 0.00 -1.91 0.00 4.07 -1.43 -1.69 115.31 113.38 1vjm h LEU 99 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1vjm h LEU 99 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1vjm h LEU 99 CO 0.11 0.15 0.02 0.25 -1.08 0.00 0.00 178.44 177.89 1vjm h LEU 100 N 0.00 0.00 -3.34 1.67 5.85 -1.42 -1.49 115.31 116.57 1vjm h LEU 100 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1vjm h LEU 100 Cb 0.51 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.20 1vjm h LEU 100 CO 0.02 0.00 -0.98 1.33 -0.34 0.00 0.00 178.44 178.47 1vjm n VAL 101 N -2.52 0.49 -3.37 1.05 0.24 -0.69 -4.87 118.33 108.66 1vjm n VAL 101 Ca -0.02 -1.60 -0.08 0.00 -2.04 0.00 0.00 64.34 60.61 1vjm n VAL 101 Cb 0.07 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1vjm n VAL 101 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1vjm n ASP 102 N 0.13 -0.90 -4.78 -1.34 8.00 -0.56 -4.83 116.55 112.27 1vjm n ASP 102 Ca 0.09 -0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.01 1vjm n ASP 102 Cb 1.04 -0.33 0.04 0.00 -0.02 0.00 0.00 41.12 41.85 1vjm n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vjm s ALA 103 N -3.66 2.56 0.64 2.24 0.00 -0.91 -5.02 121.76 117.63 1vjm s ALA 103 Ca 0.06 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 1vjm s ALA 103 Cb -0.03 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1vjm s ALA 103 CO 0.20 -1.12 1.05 0.34 0.00 0.00 0.00 175.76 176.22 1vjm s ASP 104 N -2.68 5.72 0.05 0.00 3.68 -1.26 -4.91 116.67 117.26 1vjm s ASP 104 Ca 0.66 1.64 0.13 0.00 2.13 0.00 0.00 52.55 57.11 1vjm s ASP 104 Cb -0.19 -2.50 0.56 0.00 -1.45 0.00 0.00 42.92 39.33 1vjm s ASP 104 CO 0.40 -1.21 1.40 0.00 0.13 0.00 0.00 175.17 175.90 1vjm n GLN 105 N -2.63 0.03 -0.03 4.34 3.00 -1.26 -2.18 117.38 118.65 1vjm n GLN 105 Ca 0.08 0.34 -0.14 0.00 -0.01 0.00 0.00 57.00 57.27 1vjm n GLN 105 Cb 0.53 -1.57 -0.09 0.00 0.00 0.00 0.00 30.24 29.12 1vjm n GLN 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1vjm h GLY 106 N 1.83 0.21 1.30 1.08 0.00 -2.00 -2.02 103.07 103.48 1vjm h GLY 106 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1vjm h GLY 106 CO 0.00 0.23 -0.31 -0.84 0.00 0.00 0.00 176.54 175.62 1vjm h THR 107 N -0.32 1.28 -0.11 4.70 2.02 -1.82 -2.39 112.91 116.28 1vjm h THR 107 Ca -0.00 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1vjm h THR 107 Cb 0.73 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1vjm h THR 107 CO 0.03 0.48 -0.10 0.40 0.37 0.00 0.00 175.52 176.70 1vjm h ILE 108 N 0.66 0.71 0.00 3.11 2.04 -1.43 0.00 117.51 122.61 1vjm h ILE 108 Ca 0.07 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 1vjm h ILE 108 Cb 0.85 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1vjm h ILE 108 CO 0.07 0.00 -0.32 0.25 0.00 0.00 0.00 178.15 178.15 1vjm h LEU 109 N -0.12 0.00 -0.54 1.44 5.85 -1.36 -0.43 115.31 120.15 1vjm h LEU 109 Ca 0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1vjm h LEU 109 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1vjm h LEU 109 CO -0.19 0.32 -0.10 0.00 -0.34 0.00 0.00 178.44 178.14 1vjm h ALA 110 N 1.68 0.74 0.08 1.25 0.00 -0.75 -0.82 119.26 121.43 1vjm h ALA 110 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 1vjm h ALA 110 Cb 0.68 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vjm h ALA 110 CO 0.04 0.64 -1.12 -0.07 0.00 0.00 0.00 179.25 178.74 1vjm h LEU 111 N 0.89 0.30 0.10 0.00 3.38 -0.71 -2.12 115.31 117.15 1vjm h LEU 111 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1vjm h LEU 111 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1vjm h LEU 111 CO 0.05 1.22 -0.05 0.58 0.09 0.00 0.00 178.44 180.33 1vjm h VAL 112 N 0.07 1.00 0.14 1.22 2.07 -1.04 0.56 116.25 120.26 1vjm h VAL 112 Ca -0.09 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1vjm h VAL 112 Cb 1.85 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1vjm h VAL 112 CO 0.18 0.09 -0.20 1.23 0.02 0.00 0.00 177.57 178.88 1vjm h GLY 113 N -0.30 -0.38 2.00 2.17 0.00 -1.22 0.32 103.07 105.66 1vjm h GLY 113 Ca -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1vjm h GLY 113 CO 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 176.54 176.34 1vjm h ALA 114 N 0.39 1.75 -0.00 3.60 0.00 -1.34 0.95 119.26 124.61 1vjm h ALA 114 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1vjm h ALA 114 Cb 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vjm h ALA 114 CO -0.09 0.05 -0.44 0.22 0.00 0.00 0.00 179.25 178.99 1vjm h ASP 115 N 0.00 0.39 -0.58 0.00 1.82 0.34 0.20 116.42 118.60 1vjm h ASP 115 Ca -0.00 -0.77 0.02 0.00 -0.39 0.00 0.00 57.03 55.89 1vjm h ASP 115 Cb 0.08 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 39.93 1vjm h ASP 115 CO 0.01 1.11 0.36 1.23 -1.61 0.00 0.00 179.24 180.33 1vjm h GLY 116 N -0.28 0.82 0.75 -0.78 0.00 0.10 -1.14 103.07 102.53 1vjm h GLY 116 Ca -0.05 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1vjm h GLY 116 CO 0.09 0.25 -0.20 -2.22 0.00 0.00 0.00 176.54 174.46 1vjm h ILE 117 N 0.72 0.57 -0.54 2.60 2.04 -0.83 0.18 117.51 122.25 1vjm h ILE 117 Ca 0.22 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.19 1vjm h ILE 117 Cb -0.02 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1vjm h ILE 117 CO -0.08 0.00 0.05 -0.03 0.00 0.00 0.00 178.15 178.09 1vjm h MET 118 N -0.42 0.17 0.06 2.37 4.05 -0.32 0.26 114.93 121.11 1vjm h MET 118 Ca 0.01 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.15 1vjm h MET 118 Cb 0.40 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1vjm h MET 118 CO -0.06 0.11 -1.11 0.82 0.23 0.00 0.00 176.91 176.90 1vjm h ILE 119 N 0.18 1.36 -0.33 1.77 1.08 -1.09 -2.09 117.51 118.39 1vjm h ILE 119 Ca 0.28 -2.53 -0.00 0.00 -0.39 0.00 0.00 64.86 62.21 1vjm h ILE 119 Cb 0.42 2.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.75 1vjm h ILE 119 CO -0.41 0.76 0.19 1.23 -0.69 0.00 0.00 178.15 179.23 1vjm h GLY 120 N 0.88 0.48 1.22 5.37 0.00 -0.13 0.91 103.07 111.80 1vjm h GLY 120 Ca -0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1vjm h GLY 120 CO 0.20 0.20 -0.09 -0.91 0.00 0.00 0.00 176.54 175.94 1vjm h THR 121 N 0.42 1.26 -0.30 4.70 1.35 -0.54 -0.44 112.91 119.37 1vjm h THR 121 Ca 0.12 -1.21 -0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1vjm h THR 121 Cb 0.03 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1vjm h THR 121 CO -0.02 0.42 0.19 1.23 -0.25 0.00 0.00 175.52 177.09 1vjm h GLY 122 N 0.97 0.44 0.95 5.82 0.00 -0.97 -1.37 103.07 108.90 1vjm h GLY 122 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1vjm h GLY 122 CO 0.04 0.18 0.29 -2.00 0.00 0.00 0.00 176.54 175.05 1vjm h LEU 123 N 0.39 0.49 -0.74 3.11 5.85 -0.55 0.11 115.31 123.96 1vjm h LEU 123 Ca 0.11 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1vjm h LEU 123 Cb 0.01 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1vjm h LEU 123 CO -0.02 0.35 0.41 0.58 -0.34 0.00 0.00 178.44 179.42 1vjm h VAL 124 N 0.59 0.92 -0.26 1.05 2.07 -0.77 0.66 116.25 120.52 1vjm h VAL 124 Ca 0.18 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1vjm h VAL 124 Cb -0.03 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1vjm h VAL 124 CO -0.06 0.13 -0.25 1.23 0.02 0.00 0.00 177.57 178.64 1vjm h GLY 125 N 0.72 0.53 1.02 2.17 0.00 -0.54 -0.94 103.07 106.03 1vjm h GLY 125 Ca 0.35 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1vjm h GLY 125 CO -0.23 0.40 0.33 0.00 0.00 0.00 0.00 176.54 177.04 1vjm h ALA 126 N 1.30 0.96 -0.01 3.60 0.00 0.13 -2.89 119.26 122.36 1vjm h ALA 126 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vjm h ALA 126 Cb 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vjm h ALA 126 CO 0.05 0.55 -0.14 1.28 0.00 0.00 0.00 179.25 180.99 1vjm n LEU 127 N -4.37 0.76 -4.76 0.00 4.77 -0.01 -4.93 117.00 108.46 1vjm n LEU 127 Ca 0.06 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 1vjm n LEU 127 Cb 0.15 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1vjm n LEU 127 CO 0.40 0.14 0.84 -0.89 -1.33 0.00 0.00 177.39 176.55 1vjm s THR 128 N -2.40 3.25 -0.14 -5.08 2.01 -0.39 -4.96 115.64 107.92 1vjm s THR 128 Ca 0.29 1.22 0.22 0.00 0.31 0.00 0.00 61.69 63.74 1vjm s THR 128 Cb 0.20 -3.76 -0.22 0.00 0.01 0.00 0.00 72.50 68.73 1vjm s THR 128 CO 0.47 0.26 0.70 0.29 -0.69 0.00 0.00 174.62 175.65 1vjm n LYS 129 N 0.90 0.61 -3.06 4.92 5.02 -1.26 -4.74 118.16 120.55 1vjm n LYS 129 Ca 0.00 -0.08 -0.44 0.00 -2.02 0.00 0.00 58.31 55.77 1vjm n LYS 129 Cb 0.44 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1vjm n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vjm s VAL 130 N -3.44 4.71 0.00 -0.18 1.01 -1.26 -4.37 120.40 116.87 1vjm s VAL 130 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1vjm s VAL 130 Cb 0.13 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1vjm s VAL 130 CO 0.86 -1.09 0.26 0.00 0.00 0.00 0.00 175.10 175.13 1vjm n TYR 131 N 6.63 0.00 -0.51 5.22 9.36 -1.26 -1.59 117.16 135.01 1vjm n TYR 131 Ca -0.07 0.00 0.42 0.00 3.32 0.00 0.00 57.90 61.57 1vjm n TYR 131 Cb 0.44 0.00 0.70 0.00 -0.63 0.00 0.00 39.34 39.86 1vjm n TYR 131 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1vjm h SER 132 N 0.00 0.17 0.17 2.98 4.64 -1.99 0.36 113.55 119.87 1vjm h SER 132 Ca 0.00 0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1vjm h SER 132 Cb 0.00 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1vjm h SER 132 CO 0.00 -0.17 -0.39 1.88 -0.87 0.00 0.00 176.83 177.28 1vjm h TYR 133 N 0.03 0.35 -1.00 4.77 0.05 -1.72 -2.81 116.97 116.64 1vjm h TYR 133 Ca 0.87 -0.09 0.24 0.00 0.05 0.00 0.00 58.73 59.79 1vjm h TYR 133 Cb 2.93 -0.08 -0.09 0.00 1.01 0.00 0.00 36.73 40.51 1vjm h TYR 133 CO -0.00 0.65 0.65 0.00 -1.05 0.00 0.00 178.16 178.41 1vjm h ARG 134 N 0.26 0.41 -0.01 4.88 3.08 -0.15 0.20 114.38 123.04 1vjm h ARG 134 Ca 0.03 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1vjm h ARG 134 Cb 0.81 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1vjm h ARG 134 CO 0.06 0.27 -0.76 0.74 -1.07 0.00 0.00 179.97 179.21 1vjm h PHE 135 N 0.42 0.18 -0.63 3.04 0.04 -1.61 -1.00 116.94 117.39 1vjm h PHE 135 Ca 0.56 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.24 1vjm h PHE 135 Cb 1.37 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.47 1vjm h PHE 135 CO -0.00 0.84 0.39 0.28 -0.60 0.00 0.00 178.31 179.22 1vjm h VAL 136 N 0.08 1.18 -0.29 -0.55 2.07 -0.67 0.31 116.25 118.37 1vjm h VAL 136 Ca -0.02 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1vjm h VAL 136 Cb 1.34 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1vjm h VAL 136 CO 0.11 0.18 0.09 -0.50 0.02 0.00 0.00 177.57 177.46 1vjm h TRP 137 N 0.85 0.48 -0.35 1.57 4.06 -1.14 -1.08 115.95 120.33 1vjm h TRP 137 Ca 0.23 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 61.18 1vjm h TRP 137 Cb -0.05 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 27.95 1vjm h TRP 137 CO -0.02 0.50 0.24 2.35 -3.56 0.00 0.00 178.44 177.95 1vjm h TRP 138 N 0.31 0.23 0.26 0.49 7.01 -0.72 -0.14 115.95 123.40 1vjm h TRP 138 Ca 0.09 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1vjm h TRP 138 Cb 0.25 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1vjm h TRP 138 CO 0.01 0.13 -0.13 0.00 -2.79 0.00 0.00 178.44 175.66 1vjm h ALA 139 N 1.81 -0.35 -0.08 2.65 0.00 0.78 0.14 119.26 124.21 1vjm h ALA 139 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vjm h ALA 139 Cb 0.32 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vjm h ALA 139 CO -0.03 -0.50 0.04 0.82 0.00 0.00 0.00 179.25 179.58 1vjm h ILE 140 N -0.74 1.10 0.03 0.00 2.04 -1.09 -1.65 117.51 117.21 1vjm h ILE 140 Ca -0.04 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1vjm h ILE 140 Cb 0.49 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1vjm h ILE 140 CO 0.06 0.09 -0.19 -1.28 0.00 0.00 0.00 178.15 176.83 1vjm h SER 141 N 0.02 -0.54 -0.71 1.72 0.87 -1.06 0.20 113.55 114.05 1vjm h SER 141 Ca 0.03 0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.78 1vjm h SER 141 Cb 0.10 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1vjm h SER 141 CO -0.00 -0.26 0.47 0.74 -0.53 0.00 0.00 176.83 177.25 1vjm h THR 142 N -0.32 0.86 -0.05 2.23 2.02 -0.57 -1.83 112.91 115.25 1vjm h THR 142 Ca 0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1vjm h THR 142 Cb 0.38 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1vjm h THR 142 CO -0.15 0.09 -0.09 0.00 0.37 0.00 0.00 175.52 175.73 1vjm h ALA 143 N 1.65 0.08 -1.08 6.16 0.00 -0.18 -2.16 119.26 123.73 1vjm h ALA 143 Ca 0.34 -0.32 0.30 0.00 0.00 0.00 0.00 54.91 55.23 1vjm h ALA 143 Cb 0.66 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1vjm h ALA 143 CO -0.11 -0.07 0.75 0.00 0.00 0.00 0.00 179.25 179.82 1vjm h ALA 144 N 0.48 2.72 -0.04 0.00 0.00 -0.41 0.59 119.26 122.59 1vjm h ALA 144 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vjm h ALA 144 Cb 0.66 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vjm h ALA 144 CO 0.02 -1.07 -0.04 1.98 0.00 0.00 0.00 179.25 180.14 1vjm h MET 145 N 0.16 0.10 -0.33 0.00 -1.53 -0.83 -1.22 114.93 111.29 1vjm h MET 145 Ca 0.56 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.71 1vjm h MET 145 Cb 1.88 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.91 1vjm h MET 145 CO -0.13 0.55 -0.04 -0.07 0.14 0.00 0.00 176.91 177.36 1vjm h LEU 146 N -0.35 0.49 0.08 3.39 3.38 -0.45 0.21 115.31 122.06 1vjm h LEU 146 Ca 0.01 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1vjm h LEU 146 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1vjm h LEU 146 CO 0.01 0.59 -0.11 0.22 0.09 0.00 0.00 178.44 179.25 1vjm h TYR 147 N 0.50 -0.28 -0.78 1.13 3.20 -0.90 1.00 116.97 120.84 1vjm h TYR 147 Ca 0.10 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.06 1vjm h TYR 147 Cb 0.39 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 1vjm h TYR 147 CO 0.01 -0.17 0.44 0.82 -1.64 0.00 0.00 178.16 177.62 1vjm h ILE 148 N -0.22 0.91 -0.05 1.81 2.04 -0.41 0.41 117.51 121.99 1vjm h ILE 148 Ca 0.02 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1vjm h ILE 148 Cb 0.23 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1vjm h ILE 148 CO -0.05 0.14 -0.30 -0.07 0.00 0.00 0.00 178.15 177.86 1vjm h LEU 149 N 0.75 0.09 -0.87 1.44 3.38 -0.10 -2.34 115.31 117.66 1vjm h LEU 149 Ca 0.37 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1vjm h LEU 149 Cb 0.33 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1vjm h LEU 149 CO -0.24 0.39 0.09 0.22 0.09 0.00 0.00 178.44 179.00 1vjm h TYR 150 N 0.09 0.98 0.00 1.13 3.20 0.53 -1.97 116.97 120.94 1vjm h TYR 150 Ca 0.01 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1vjm h TYR 150 Cb 0.58 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1vjm h TYR 150 CO 0.00 0.84 -0.06 0.28 -1.64 0.00 0.00 178.16 177.59 1vjm h VAL 151 N 0.89 0.12 -0.01 1.81 2.07 -0.66 -2.14 116.25 118.33 1vjm h VAL 151 Ca 0.18 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1vjm h VAL 151 Cb 0.39 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1vjm h VAL 151 CO 0.01 0.05 -0.04 0.18 0.02 0.00 0.00 177.57 177.80 1vjm n LEU 152 N -3.14 0.91 0.00 2.57 4.32 -0.76 -2.59 117.00 118.30 1vjm n LEU 152 Ca 0.02 -0.27 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1vjm n LEU 152 Cb 0.41 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1vjm n LEU 152 CO 0.31 0.16 0.12 0.49 -1.22 0.00 0.00 177.39 177.24 1vjm n PHE 153 N -0.37 0.00 -2.34 -1.77 3.72 -1.07 -3.65 117.46 111.98 1vjm n PHE 153 Ca 0.19 -0.03 0.02 0.00 -0.05 0.00 0.00 57.45 57.58 1vjm n PHE 153 Cb 0.28 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1vjm n PHE 153 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1vjm n PHE 154 N -0.03 0.00 0.00 1.38 3.72 -0.82 -4.76 117.46 116.96 1vjm n PHE 154 Ca 0.00 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1vjm n PHE 154 Cb 0.21 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1vjm n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vjm n GLY 155 N 0.34 0.00 0.08 1.37 0.00 -1.22 -4.94 105.19 100.82 1vjm n GLY 155 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1vjm n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vjm n PHE 156 N -0.09 0.00 0.33 1.61 3.01 -1.07 -4.10 117.46 117.15 1vjm n PHE 156 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.51 1vjm n PHE 156 Cb 0.00 -0.18 0.28 0.00 -0.01 0.00 0.00 39.48 39.57 1vjm n PHE 156 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1vjm h THR 157 N -0.37 0.00 0.00 4.37 2.02 -1.83 0.75 112.91 117.85 1vjm h THR 157 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1vjm h THR 157 Cb 0.37 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1vjm h THR 157 CO 0.00 0.00 -1.03 0.77 0.37 0.00 0.00 175.52 175.63 1vjm h SER 158 N 0.00 0.00 0.16 4.18 4.64 -1.89 -3.37 113.55 117.27 1vjm h SER 158 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1vjm h SER 158 Cb 1.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.61 1vjm h SER 158 CO 0.00 0.15 -1.99 1.17 -0.87 0.00 0.00 176.83 175.30 1vjm n LYS 159 N -2.77 0.74 -0.34 4.77 4.81 0.26 -4.17 118.16 121.46 1vjm n LYS 159 Ca -0.02 0.26 0.20 0.00 -0.87 0.00 0.00 58.31 57.88 1vjm n LYS 159 Cb 0.62 -1.71 0.44 0.00 0.02 0.00 0.00 35.03 34.40 1vjm n LYS 159 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vjm h ALA 160 N 0.18 1.97 0.70 3.14 0.00 -1.65 -1.55 119.26 122.05 1vjm h ALA 160 Ca -0.41 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1vjm h ALA 160 Cb 2.03 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.85 1vjm h ALA 160 CO 0.08 -0.42 -0.34 0.93 0.00 0.00 0.00 179.25 179.50 1vjm h GLU 161 N 0.51 -0.90 -0.12 0.00 5.08 -1.72 -1.25 114.58 116.16 1vjm h GLU 161 Ca 0.63 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1vjm h GLU 161 Cb 1.35 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1vjm h GLU 161 CO -0.40 -0.59 0.00 0.43 -1.00 0.00 0.00 179.01 177.45 1vjm n SER 162 N -5.48 0.12 -3.61 1.42 7.64 -0.60 -4.53 113.62 108.58 1vjm n SER 162 Ca -0.14 -0.42 -0.16 0.00 1.01 0.00 0.00 58.87 59.17 1vjm n SER 162 Cb 0.38 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.52 1vjm n SER 162 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1vjm n MET 163 N 0.02 1.08 -1.74 1.43 2.81 -0.47 -5.09 117.12 115.16 1vjm n MET 163 Ca 0.00 -2.02 -0.38 0.00 -1.81 0.00 0.00 57.70 53.49 1vjm n MET 163 Cb 0.03 0.29 0.04 0.00 -0.71 0.00 0.00 33.22 32.88 1vjm n MET 163 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1vjm n ARG 164 N -1.13 1.64 0.00 0.03 1.74 -1.25 -4.92 116.66 112.77 1vjm n ARG 164 Ca -0.04 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1vjm n ARG 164 Cb 0.36 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.24 1vjm n ARG 164 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1vjm n PRO 165 N -1.06 0.00 -0.13 5.56 -0.02 -1.26 -1.46 135.00 136.62 1vjm n PRO 165 Ca 0.11 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 1vjm n PRO 165 Cb 0.45 -1.08 0.52 0.00 -0.02 0.00 0.00 33.50 33.37 1vjm n PRO 165 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1vjm h GLU 166 N 0.00 0.38 -3.26 -0.52 4.11 -1.96 -1.32 114.58 112.00 1vjm h GLU 166 Ca 0.00 -0.02 -0.60 0.00 0.07 0.00 0.00 59.36 58.80 1vjm h GLU 166 Cb 0.00 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.19 1vjm h GLU 166 CO 0.00 0.25 3.44 0.28 0.07 0.00 0.00 179.01 183.05 1vjm n VAL 167 N -4.47 3.70 0.00 -1.06 0.31 -0.54 -0.26 118.33 116.01 1vjm n VAL 167 Ca 0.13 -2.32 0.00 0.00 -0.01 0.00 0.00 64.34 62.13 1vjm n VAL 167 Cb 0.50 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 1vjm n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vjm n ALA 168 N 4.13 0.00 0.46 3.52 0.00 -0.82 -3.85 120.51 123.94 1vjm n ALA 168 Ca 0.67 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.91 1vjm n ALA 168 Cb 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 1vjm n ALA 168 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vjm h SER 169 N 0.00 -1.08 -0.76 0.00 0.02 0.48 -0.46 113.55 111.75 1vjm h SER 169 Ca 0.00 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1vjm h SER 169 Cb 0.00 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1vjm h SER 169 CO 0.00 -0.73 0.50 0.74 -1.14 0.00 0.00 176.83 176.20 1vjm h THR 170 N -1.20 0.99 0.35 -2.27 2.02 -1.04 -2.53 112.91 109.23 1vjm h THR 170 Ca -0.12 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1vjm h THR 170 Cb 0.93 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1vjm h THR 170 CO 0.17 0.14 -0.30 0.15 0.37 0.00 0.00 175.52 176.05 1vjm h PHE 171 N 0.75 -0.79 -0.78 3.16 3.57 -1.57 -0.44 116.94 120.84 1vjm h PHE 171 Ca 0.34 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.91 1vjm h PHE 171 Cb 0.35 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1vjm h PHE 171 CO -0.00 -0.43 0.51 -0.22 -2.23 0.00 0.00 178.31 175.94 1vjm h LYS 172 N -0.66 0.82 0.10 1.11 3.64 -0.67 0.65 116.57 121.56 1vjm h LYS 172 Ca -0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1vjm h LYS 172 Cb 0.58 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1vjm h LYS 172 CO -0.03 0.54 -0.05 -0.39 -2.27 0.00 0.00 179.45 177.26 1vjm h VAL 173 N 0.85 1.08 -0.70 2.00 -1.51 -1.29 -1.85 116.25 114.83 1vjm h VAL 173 Ca 0.34 -0.69 0.07 0.00 -1.23 0.00 0.00 66.70 65.19 1vjm h VAL 173 Cb 0.23 1.52 -0.06 0.00 -2.13 0.00 0.00 31.29 30.85 1vjm h VAL 173 CO -0.12 0.17 0.37 -0.07 -1.23 0.00 0.00 177.57 176.70 1vjm h LEU 174 N -0.45 0.53 -0.14 4.19 3.38 -0.46 0.67 115.31 123.03 1vjm h LEU 174 Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vjm h LEU 174 Cb 0.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1vjm h LEU 174 CO 0.02 0.33 0.08 -0.09 0.09 0.00 0.00 178.44 178.87 1vjm h ARG 175 N 0.67 0.19 -0.41 1.13 2.43 -0.84 -0.88 114.38 116.67 1vjm h ARG 175 Ca 0.33 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1vjm h ARG 175 Cb 0.26 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1vjm h ARG 175 CO -0.22 0.18 0.08 -0.91 -1.51 0.00 0.00 179.97 177.60 1vjm h ASN 176 N 0.14 0.56 0.34 -3.80 -0.26 -0.85 0.53 115.58 112.24 1vjm h ASN 176 Ca 0.05 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 1vjm h ASN 176 Cb 0.04 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1vjm h ASN 176 CO -0.01 0.57 -0.25 0.58 -1.06 0.00 0.00 177.43 177.26 1vjm h VAL 177 N 0.59 1.02 0.23 2.81 2.07 -0.43 -2.73 116.25 119.81 1vjm h VAL 177 Ca 0.13 -0.90 -0.31 0.00 0.82 0.00 0.00 66.70 66.45 1vjm h VAL 177 Cb 0.25 1.51 0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1vjm h VAL 177 CO -0.00 0.24 -1.38 0.74 0.02 0.00 0.00 177.57 177.20 1vjm h THR 178 N 0.00 1.29 -0.18 2.57 2.02 0.30 -3.08 112.91 115.82 1vjm h THR 178 Ca -0.00 -2.64 0.03 0.00 0.77 0.00 0.00 66.41 64.56 1vjm h THR 178 Cb 0.49 3.05 -0.05 0.00 -1.74 0.00 0.00 68.15 69.90 1vjm h THR 178 CO 0.03 0.79 -0.34 0.58 0.37 0.00 0.00 175.52 176.95 1vjm h VAL 179 N 0.03 0.00 -0.00 3.16 2.07 0.31 -0.61 116.25 121.21 1vjm h VAL 179 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1vjm h VAL 179 Cb 2.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1vjm h VAL 179 CO 0.24 0.00 -0.04 0.52 0.02 0.00 0.00 177.57 178.31 1vjm n VAL 180 N -4.34 0.00 -0.07 2.57 0.31 -1.16 -2.37 118.33 113.26 1vjm n VAL 180 Ca -0.03 -0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 1vjm n VAL 180 Cb 0.22 -0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.72 1vjm n VAL 180 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1vjm h LEU 181 N 0.08 0.00 -0.59 7.52 3.38 -1.38 -3.16 115.31 121.16 1vjm h LEU 181 Ca 0.00 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1vjm h LEU 181 Cb 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1vjm h LEU 181 CO 0.00 0.80 0.18 -0.50 0.09 0.00 0.00 178.44 179.01 1vjm h TRP 182 N -1.00 0.31 -0.38 1.13 4.06 -1.25 -1.84 115.95 116.99 1vjm h TRP 182 Ca -0.03 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.97 1vjm h TRP 182 Cb 0.54 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1vjm h TRP 182 CO -0.18 0.05 0.25 0.77 -3.56 0.00 0.00 178.44 175.78 1vjm h SER 183 N 0.34 0.40 0.10 -3.49 0.02 -1.63 -2.73 113.55 106.56 1vjm h SER 183 Ca 0.30 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1vjm h SER 183 Cb 0.40 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1vjm h SER 183 CO -0.33 0.28 -0.28 0.00 -1.14 0.00 0.00 176.83 175.36 1vjm h ALA 184 N 1.77 1.24 -0.32 3.77 0.00 -1.29 -3.24 119.26 121.19 1vjm h ALA 184 Ca 0.14 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1vjm h ALA 184 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1vjm h ALA 184 CO -0.03 0.51 0.11 1.88 0.00 0.00 0.00 179.25 181.71 1vjm h TYR 185 N 0.26 0.19 -0.09 0.00 -1.99 -1.45 -0.60 116.97 113.30 1vjm h TYR 185 Ca 0.04 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 1vjm h TYR 185 Cb 0.63 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 1vjm h TYR 185 CO 0.01 0.08 -0.14 -1.00 -0.00 0.00 0.00 178.16 177.11 1vjm h PRO 186 N 0.24 0.14 -0.35 4.88 0.13 -1.70 0.19 132.00 135.53 1vjm h PRO 186 Ca 0.14 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 1vjm h PRO 186 Cb 0.12 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1vjm h PRO 186 CO -0.15 0.28 -0.37 0.28 -0.23 0.00 0.00 178.00 177.81 1vjm h VAL 187 N 0.13 1.28 -0.37 1.56 2.07 -1.49 -0.56 116.25 118.87 1vjm h VAL 187 Ca 0.03 -1.55 -0.13 0.00 0.82 0.00 0.00 66.70 65.86 1vjm h VAL 187 Cb 0.33 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1vjm h VAL 187 CO 0.02 0.51 -0.29 0.58 0.02 0.00 0.00 177.57 178.41 1vjm h VAL 188 N 0.67 1.28 -0.64 2.57 2.07 -0.51 -1.90 116.25 119.79 1vjm h VAL 188 Ca 0.05 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1vjm h VAL 188 Cb 0.97 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1vjm h VAL 188 CO 0.09 0.48 0.29 -0.25 0.02 0.00 0.00 177.57 178.21 1vjm h TRP 189 N 0.65 0.90 -0.00 1.57 7.01 -0.57 -0.07 115.95 125.44 1vjm h TRP 189 Ca 0.07 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1vjm h TRP 189 Cb 0.87 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1vjm h TRP 189 CO 0.06 0.67 -0.00 1.25 -2.79 0.00 0.00 178.44 177.63 1vjm h LEU 190 N 0.90 0.00 -0.69 0.65 5.85 -0.91 -2.34 115.31 118.78 1vjm h LEU 190 Ca 0.22 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1vjm h LEU 190 Cb 0.11 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1vjm h LEU 190 CO -0.03 0.39 -0.01 2.30 -0.34 0.00 0.00 178.44 180.76 1vjm n ILE 191 N -4.90 0.00 -2.09 4.05 -5.35 -0.73 0.14 119.36 110.48 1vjm n ILE 191 Ca -0.08 -0.18 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 1vjm n ILE 191 Cb 0.21 0.23 0.08 0.00 -1.74 0.00 0.00 39.64 38.41 1vjm n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vjm n GLY 192 N 1.14 -0.01 0.27 3.28 0.00 -0.05 -1.24 105.19 108.57 1vjm n GLY 192 Ca 0.20 -1.89 0.16 0.00 0.00 0.00 0.00 46.02 44.49 1vjm n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vjm h SER 193 N -0.51 0.00 0.74 1.61 0.02 -1.84 -0.12 113.55 113.45 1vjm h SER 193 Ca -0.19 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1vjm h SER 193 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1vjm h SER 193 CO 0.17 0.05 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.36 1vjm h GLU 194 N 0.00 0.00 0.00 3.45 5.08 -1.91 -3.43 114.58 117.77 1vjm h GLU 194 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vjm h GLU 194 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1vjm h GLU 194 CO 0.01 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 1vjm n GLY 195 N -0.09 0.06 0.09 -3.84 0.00 -0.68 -4.92 105.19 95.81 1vjm n GLY 195 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1vjm n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vjm n ALA 196 N -1.79 2.72 -1.26 4.61 0.00 0.37 -4.95 120.51 120.21 1vjm n ALA 196 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 1vjm n ALA 196 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1vjm n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vjm n GLY 197 N 1.24 1.04 0.06 0.00 0.00 -0.14 -4.85 105.19 102.53 1vjm n GLY 197 Ca 0.01 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1vjm n GLY 197 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vjm n ILE 198 N -2.60 0.00 -3.78 -0.61 -0.00 -1.15 -4.82 119.36 106.40 1vjm n ILE 198 Ca -0.09 -0.03 -0.13 0.00 -0.00 0.00 0.00 62.75 62.50 1vjm n ILE 198 Cb 0.36 -0.09 -0.10 0.00 -0.00 0.00 0.00 39.64 39.81 1vjm n ILE 198 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1vjm s VAL 199 N -2.77 0.02 0.32 1.39 1.01 -0.38 -5.00 120.40 115.00 1vjm s VAL 199 Ca 0.19 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1vjm s VAL 199 Cb 0.19 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.99 1vjm s VAL 199 CO 0.56 -0.11 0.93 -2.16 0.00 0.00 0.00 175.10 174.32 1vjm s PRO 200 N -0.39 4.53 0.27 2.72 0.04 -1.26 -3.27 135.00 137.65 1vjm s PRO 200 Ca -0.05 1.27 0.17 0.00 0.04 0.00 0.00 61.00 62.43 1vjm s PRO 200 Cb -0.03 -2.76 0.98 0.00 0.04 0.00 0.00 34.50 32.72 1vjm s PRO 200 CO 0.02 0.27 1.11 -0.11 0.04 0.00 0.00 177.00 178.32 1vjm n LEU 201 N 0.49 0.22 -0.24 -3.56 7.94 -1.26 0.24 117.00 120.83 1vjm n LEU 201 Ca 0.02 1.12 0.03 0.00 -1.11 0.00 0.00 56.01 56.07 1vjm n LEU 201 Cb 0.50 -0.55 0.15 0.00 0.53 0.00 0.00 43.42 44.06 1vjm n LEU 201 CO 0.44 -1.25 1.03 -1.13 -1.11 0.00 0.00 177.39 175.37 1vjm h ASN 202 N 0.00 0.33 0.70 1.96 -1.24 -1.96 0.32 115.58 115.69 1vjm h ASN 202 Ca 0.60 0.09 -0.24 0.00 0.71 0.00 0.00 56.30 57.46 1vjm h ASN 202 Cb 1.69 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.75 1vjm h ASN 202 CO -0.49 0.16 -1.43 0.40 -1.29 0.00 0.00 177.43 174.79 1vjm h ILE 203 N 0.49 0.93 0.33 2.57 1.08 0.27 -2.99 117.51 120.19 1vjm h ILE 203 Ca 0.37 -2.65 -0.00 0.00 -0.39 0.00 0.00 64.86 62.19 1vjm h ILE 203 Cb 0.49 2.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 1vjm h ILE 203 CO -0.34 0.53 -0.35 -0.08 -0.69 0.00 0.00 178.15 177.23 1vjm h GLU 204 N 0.00 -0.68 -0.34 2.37 4.81 -0.56 -2.03 114.58 118.15 1vjm h GLU 204 Ca -0.19 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1vjm h GLU 204 Cb 1.83 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 31.28 1vjm h GLU 204 CO 0.08 -0.45 -0.24 1.15 -0.73 0.00 0.00 179.01 178.82 1vjm h THR 205 N -0.71 0.37 -0.62 0.32 2.02 -0.45 -1.95 112.91 111.89 1vjm h THR 205 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1vjm h THR 205 Cb 0.65 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1vjm h THR 205 CO -0.07 0.00 0.39 0.25 0.37 0.00 0.00 175.52 176.46 1vjm h LEU 206 N -0.20 0.66 -0.20 2.58 5.85 -1.45 -1.50 115.31 121.04 1vjm h LEU 206 Ca 0.17 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1vjm h LEU 206 Cb 0.46 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1vjm h LEU 206 CO -0.45 0.47 0.05 -0.07 -0.34 0.00 0.00 178.44 178.10 1vjm h LEU 207 N 0.79 0.31 -1.11 2.25 3.38 -1.09 -1.66 115.31 118.18 1vjm h LEU 207 Ca 0.24 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1vjm h LEU 207 Cb -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1vjm h LEU 207 CO -0.08 0.46 0.10 -0.26 0.09 0.00 0.00 178.44 178.76 1vjm h PHE 208 N 0.15 0.75 -0.10 1.13 0.04 -1.28 -1.17 116.94 116.46 1vjm h PHE 208 Ca 0.06 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1vjm h PHE 208 Cb 0.27 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1vjm h PHE 208 CO 0.01 0.65 0.02 1.98 -0.60 0.00 0.00 178.31 180.37 1vjm h MET 209 N 0.71 0.16 -0.66 1.51 4.05 -1.04 0.54 114.93 120.21 1vjm h MET 209 Ca 0.16 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1vjm h MET 209 Cb 0.28 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 1vjm h MET 209 CO -0.00 0.35 0.37 0.28 0.23 0.00 0.00 176.91 178.15 1vjm h VAL 210 N -0.05 1.19 -0.04 -5.77 2.07 -1.23 0.14 116.25 112.56 1vjm h VAL 210 Ca 0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1vjm h VAL 210 Cb 0.27 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1vjm h VAL 210 CO 0.00 0.21 -0.04 -0.07 0.02 0.00 0.00 177.57 177.69 1vjm h LEU 211 N 0.92 0.11 -1.52 2.57 3.38 -0.88 -2.03 115.31 117.86 1vjm h LEU 211 Ca 0.24 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1vjm h LEU 211 Cb 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vjm h LEU 211 CO -0.04 0.58 0.01 0.44 0.09 0.00 0.00 178.44 179.52 1vjm h ASP 212 N -0.36 0.29 -0.04 -0.43 3.32 0.50 -1.63 116.42 118.08 1vjm h ASP 212 Ca 0.01 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1vjm h ASP 212 Cb 0.55 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1vjm h ASP 212 CO 0.01 0.34 -0.43 0.58 -1.72 0.00 0.00 179.24 178.01 1vjm h VAL 213 N 0.31 1.44 -0.14 -1.35 2.07 -0.77 0.42 116.25 118.23 1vjm h VAL 213 Ca 0.07 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1vjm h VAL 213 Cb 0.20 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1vjm h VAL 213 CO 0.00 0.55 0.10 0.28 0.02 0.00 0.00 177.57 178.52 1vjm h SER 214 N -0.16 0.15 0.25 0.57 0.02 -1.03 -0.83 113.55 112.52 1vjm h SER 214 Ca -0.04 -0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.56 1vjm h SER 214 Cb 1.12 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1vjm h SER 214 CO 0.09 0.11 -1.85 0.00 -1.14 0.00 0.00 176.83 174.03 1vjm h ALA 215 N 1.91 0.46 -0.08 3.77 0.00 -1.28 1.03 119.26 125.07 1vjm h ALA 215 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1vjm h ALA 215 Cb 0.01 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vjm h ALA 215 CO -0.01 1.32 0.00 1.63 0.00 0.00 0.00 179.25 182.19 1vjm n LYS 216 N -3.40 1.79 0.00 0.00 5.02 0.15 -4.12 118.16 117.60 1vjm n LYS 216 Ca -0.26 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 1vjm n LYS 216 Cb 1.05 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1vjm n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vjm n VAL 217 N 0.39 0.00 0.29 -0.18 0.31 -0.43 -4.16 118.33 114.56 1vjm n VAL 217 Ca 0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.39 1vjm n VAL 217 Cb 0.38 -0.02 -0.05 0.00 -0.91 0.00 0.00 33.84 33.24 1vjm n VAL 217 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1vjm h GLY 218 N 0.00 -0.78 0.18 2.92 0.00 -0.23 0.12 103.07 105.29 1vjm h GLY 218 Ca 0.00 0.29 0.19 0.00 0.00 0.00 0.00 47.33 47.80 1vjm h GLY 218 CO 0.00 -0.28 0.61 -2.75 0.00 0.00 0.00 176.54 174.12 1vjm h PHE 219 N -0.77 1.00 -0.13 5.60 3.04 0.90 -0.29 116.94 126.28 1vjm h PHE 219 Ca -0.08 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.95 1vjm h PHE 219 Cb 0.57 -0.30 -0.05 0.00 2.56 0.00 0.00 35.95 38.73 1vjm h PHE 219 CO 0.09 0.24 -0.18 0.78 -2.02 0.00 0.00 178.31 177.22 1vjm h GLY 220 N 0.73 -0.14 1.90 2.40 0.00 -1.60 -2.36 103.07 104.00 1vjm h GLY 220 Ca 0.56 0.23 0.01 0.00 0.00 0.00 0.00 47.33 48.12 1vjm h GLY 220 CO -0.34 -0.17 0.05 1.41 0.00 0.00 0.00 176.54 177.49 1vjm h LEU 221 N -0.23 0.06 -0.01 3.11 3.38 0.10 0.16 115.31 121.88 1vjm h LEU 221 Ca 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1vjm h LEU 221 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1vjm h LEU 221 CO -0.27 0.05 -0.09 0.40 0.09 0.00 0.00 178.44 178.62 1vjm h ILE 222 N 0.07 1.55 -0.06 1.22 2.04 -1.00 -3.04 117.51 118.29 1vjm h ILE 222 Ca 0.03 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 1vjm h ILE 222 Cb 0.03 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1vjm h ILE 222 CO -0.00 0.46 -0.01 0.25 0.00 0.00 0.00 178.15 178.85 1vjm h LEU 223 N -0.61 0.12 -1.98 1.44 5.85 -1.30 -3.26 115.31 115.56 1vjm h LEU 223 Ca -0.01 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1vjm h LEU 223 Cb 0.81 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1vjm h LEU 223 CO 0.02 0.43 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.38 1vjm h LEU 224 N -0.20 0.00 -3.67 2.25 3.38 -1.10 -2.84 115.31 113.13 1vjm h LEU 224 Ca 0.02 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.60 1vjm h LEU 224 Cb 0.38 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.90 1vjm h LEU 224 CO 0.00 0.10 0.49 0.54 0.09 0.00 0.00 178.44 179.67 1vjm n ARG 225 N -3.97 2.42 -4.44 1.13 1.74 -1.15 -4.93 116.66 107.46 1vjm n ARG 225 Ca -0.02 -2.64 -0.25 0.00 -0.77 0.00 0.00 57.85 54.17 1vjm n ARG 225 Cb 0.19 -2.05 -0.10 0.00 -1.02 0.00 0.00 32.46 29.48 1vjm n ARG 225 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1vjm s SER 226 N -0.95 3.62 0.03 0.55 1.04 -1.07 -5.04 113.70 111.88 1vjm s SER 226 Ca 0.49 -0.95 0.28 0.00 0.48 0.00 0.00 55.95 56.26 1vjm s SER 226 Cb 0.41 -0.33 1.15 0.00 0.10 0.00 0.00 66.02 67.35 1vjm s SER 226 CO 0.10 0.06 1.88 -2.11 0.98 0.00 0.00 173.24 174.16 1vjm n ARG 227 N -0.38 0.03 0.13 4.02 0.00 -1.26 -3.84 116.66 115.36 1vjm n ARG 227 Ca -0.07 0.03 0.17 0.00 -0.00 0.00 0.00 57.85 57.97 1vjm n ARG 227 Cb 0.59 -1.54 0.72 0.00 -0.00 0.00 0.00 32.46 32.23 1vjm n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vjm h ALA 228 N 2.94 2.16 0.00 2.89 0.00 -1.89 -2.66 119.26 122.71 1vjm h ALA 228 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1vjm h ALA 228 Cb 0.53 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1vjm h ALA 228 CO 0.00 -0.39 -0.04 -0.84 0.00 0.00 0.00 179.25 177.97 1vjm h ILE 229 N 0.00 0.09 -2.17 0.00 3.07 -1.86 -3.46 117.51 113.17 1vjm h ILE 229 Ca 0.14 -0.79 -0.45 0.00 1.55 0.00 0.00 64.86 65.30 1vjm h ILE 229 Cb 0.62 1.73 0.06 0.00 -0.27 0.00 0.00 36.82 38.96 1vjm h ILE 229 CO -0.00 0.04 0.02 -0.36 -1.05 0.00 0.00 178.15 176.80 1vjm s PHE 230 N -3.49 2.16 -1.74 0.16 0.40 -1.00 -3.81 117.98 110.66 1vjm s PHE 230 Ca 0.03 -0.20 0.22 0.00 -0.60 0.00 0.00 56.93 56.37 1vjm s PHE 230 Cb 0.08 -2.80 0.68 0.00 0.51 0.00 0.00 43.02 41.48 1vjm s PHE 230 CO 0.60 -1.26 1.57 0.41 0.70 0.00 0.00 175.22 177.24 1vjm n GLY 231 N -2.54 2.58 2.47 4.36 0.00 -1.26 -5.03 105.19 105.76 1vjm n GLY 231 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1vjm n GLY 231 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50