#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1b h TRP 44 N 0.00 0.00 -0.67 -1.55 5.08 -2.05 -2.14 115.95 114.62 1p1b h TRP 44 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1p1b h TRP 44 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1p1b h TRP 44 CO 0.00 0.00 0.00 -0.85 -1.28 0.00 0.00 178.44 176.31 1p1b n GLU 45 N -2.57 2.69 -0.12 0.12 0.00 -1.26 -4.52 120.64 114.98 1p1b n GLU 45 Ca -0.01 -2.47 -0.05 0.00 0.00 0.00 0.00 57.16 54.63 1p1b n GLU 45 Cb 0.11 -1.57 0.01 0.00 0.00 0.00 0.00 31.44 29.99 1p1b n GLU 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1p1b h THR 46 N 3.96 0.46 -0.96 3.84 2.02 -1.81 0.15 112.91 120.57 1p1b h THR 46 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1p1b h THR 46 Cb 0.97 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 67.75 1p1b h THR 46 CO 0.03 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 175.88 1p1b h PRO 47 N -0.09 0.61 -0.11 6.66 0.11 -1.85 0.15 132.00 137.49 1p1b h PRO 47 Ca 0.20 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 1p1b h PRO 47 Cb 0.39 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1p1b h PRO 47 CO -0.46 0.40 -0.80 -0.92 -0.21 0.00 0.00 178.00 176.01 1p1b h TYR 48 N 0.63 1.01 -0.33 0.65 5.03 -1.46 -2.33 116.97 120.17 1p1b h TYR 48 Ca 0.53 -0.48 0.03 0.00 2.58 0.00 0.00 58.73 61.39 1p1b h TYR 48 Cb 0.99 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 1p1b h TYR 48 CO -0.00 1.31 0.22 0.52 -1.32 0.00 0.00 178.16 178.88 1p1b h MET 49 N 0.43 0.31 0.00 1.82 2.86 0.14 -0.82 114.93 119.67 1p1b h MET 49 Ca -0.07 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 1p1b h MET 49 Cb 1.45 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 1p1b h MET 49 CO 0.16 0.20 -0.69 0.45 1.06 0.00 0.00 176.91 178.09 1p1b h HIS 50 N 0.32 0.00 -0.29 -0.22 3.86 -0.61 -2.69 115.15 115.51 1p1b h HIS 50 Ca 0.13 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1p1b h HIS 50 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1p1b h HIS 50 CO -0.00 0.69 -0.48 1.03 0.86 0.00 0.00 177.93 180.03 1p1b h SER 51 N 0.00 0.93 -0.59 2.45 0.87 -0.61 -0.07 113.55 116.52 1p1b h SER 51 Ca -0.01 -0.52 -0.10 0.00 -1.23 0.00 0.00 61.79 59.93 1p1b h SER 51 Cb 1.39 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1p1b h SER 51 CO 0.09 1.27 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.58 1p1b h LEU 52 N 0.62 1.04 -0.09 2.23 3.38 -1.42 -1.61 115.31 119.45 1p1b h LEU 52 Ca 0.02 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1p1b h LEU 52 Cb 1.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1p1b h LEU 52 CO 0.11 1.10 0.02 0.00 0.09 0.00 0.00 178.44 179.76 1p1b h ALA 53 N 0.98 0.12 -0.89 1.53 0.00 -1.36 -0.55 119.26 119.09 1p1b h ALA 53 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1p1b h ALA 53 Cb 0.58 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1p1b h ALA 53 CO 0.03 -0.25 0.57 0.00 0.00 0.00 0.00 179.25 179.61 1p1b h ALA 54 N 0.81 1.17 -0.31 0.00 0.00 -0.95 -1.06 119.26 118.92 1p1b h ALA 54 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1p1b h ALA 54 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1p1b h ALA 54 CO 0.00 0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.78 1p1b h ALA 55 N 1.37 0.40 0.00 0.00 0.00 -0.99 0.81 119.26 120.86 1p1b h ALA 55 Ca 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1p1b h ALA 55 Cb 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1p1b h ALA 55 CO -0.12 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 178.99 1p1b h ALA 56 N 0.95 1.20 -0.08 0.00 0.00 -0.70 -2.38 119.26 118.24 1p1b h ALA 56 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p1b h ALA 56 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p1b h ALA 56 CO -0.01 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1p1b n ALA 57 N -2.27 2.47 0.00 0.00 0.00 -0.44 -4.23 120.51 116.04 1p1b n ALA 57 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1p1b n ALA 57 Cb 0.30 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1p1b n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p1b n SER 58 N 1.25 0.00 0.00 0.00 3.41 0.24 -0.76 113.62 117.77 1p1b n SER 58 Ca 0.15 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1p1b n SER 58 Cb 0.58 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1p1b n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p1b n ARG 59 N -1.33 -0.10 0.00 4.33 5.12 -1.26 -5.10 116.66 118.32 1p1b n ARG 59 Ca 0.00 -0.64 0.00 0.00 -1.93 0.00 0.00 57.85 55.28 1p1b n ARG 59 Cb 0.03 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1p1b n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p1b n GLY 60 N -0.10 0.99 7.00 -0.13 0.00 0.06 -4.92 105.19 108.09 1p1b n GLY 60 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1p1b n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1b n GLY 61 N 0.00 1.50 3.71 -0.02 0.00 -1.26 -4.63 105.19 104.48 1p1b n GLY 61 Ca 0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1p1b n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p1b s ARG 62 N 0.00 4.25 -0.13 1.61 3.52 -1.26 0.67 118.95 127.62 1p1b s ARG 62 Ca 0.00 0.20 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 1p1b s ARG 62 Cb 0.00 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1p1b s ARG 62 CO 0.00 0.14 -0.22 0.08 -0.81 0.00 0.00 175.30 174.49 1p1b s VAL 63 N 0.75 2.18 -0.25 7.11 1.01 -0.09 -0.35 120.40 130.76 1p1b s VAL 63 Ca 0.19 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1p1b s VAL 63 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1p1b s VAL 63 CO 0.06 0.55 0.14 -0.22 0.00 0.00 0.00 175.10 175.63 1p1b s LEU 64 N 0.61 3.88 -0.12 3.92 2.96 -0.36 -0.95 118.68 128.61 1p1b s LEU 64 Ca -0.12 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1p1b s LEU 64 Cb -0.16 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1p1b s LEU 64 CO 0.03 0.01 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.14 1p1b s GLU 65 N 1.41 3.06 -0.37 1.98 2.12 0.89 -0.47 118.70 127.31 1p1b s GLU 65 Ca 0.07 -0.85 -0.14 0.00 0.36 0.00 0.00 54.97 54.40 1p1b s GLU 65 Cb -0.15 -2.40 -0.00 0.00 0.26 0.00 0.00 34.13 31.84 1p1b s GLU 65 CO 0.07 0.07 0.30 0.08 -0.54 0.00 0.00 175.26 175.24 1p1b s VAL 66 N 0.60 5.24 0.00 3.70 1.01 -0.50 -0.87 120.40 129.58 1p1b s VAL 66 Ca -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1p1b s VAL 66 Cb -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1p1b s VAL 66 CO 0.03 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1p1b n GLY 67 N 5.09 -0.38 0.10 4.51 0.00 0.14 -3.21 105.19 111.44 1p1b n GLY 67 Ca -0.11 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 1p1b n GLY 67 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p1b h PHE 68 N 0.00 0.30 0.00 1.61 -0.00 -1.88 -3.47 116.94 113.50 1p1b h PHE 68 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.97 57.75 1p1b h PHE 68 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 1p1b h PHE 68 CO 0.00 1.22 0.00 0.41 -0.00 0.00 0.00 178.31 179.94 1p1b n GLY 69 N 1.64 3.63 1.61 2.40 0.00 -1.26 -1.89 105.19 111.31 1p1b n GLY 69 Ca -0.14 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1p1b n GLY 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p1b n MET 70 N 13.96 3.72 -1.53 1.61 0.00 -1.26 -4.95 117.12 128.68 1p1b n MET 70 Ca 0.00 -2.88 -0.18 0.00 0.00 0.00 0.00 57.70 54.64 1p1b n MET 70 Cb 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 33.22 31.25 1p1b n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1p1b n ALA 71 N 1.18 -0.28 0.04 3.04 0.00 -0.79 -4.87 120.51 118.82 1p1b n ALA 71 Ca 0.26 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1p1b n ALA 71 Cb 0.89 -1.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 1p1b n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1p1b h ILE 72 N 0.00 1.04 -0.02 0.00 1.08 -1.92 -0.88 117.51 116.81 1p1b h ILE 72 Ca -0.37 -0.18 -0.07 0.00 -0.39 0.00 0.00 64.86 63.85 1p1b h ILE 72 Cb 1.30 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1p1b h ILE 72 CO 0.55 0.05 -0.25 0.00 -0.69 0.00 0.00 178.15 177.81 1p1b h ALA 73 N 0.88 0.05 -0.29 1.87 0.00 -1.90 -3.19 119.26 116.68 1p1b h ALA 73 Ca -0.00 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.54 1p1b h ALA 73 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1p1b h ALA 73 CO 0.00 0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.61 1p1b h ALA 74 N 0.31 2.02 0.10 0.00 0.00 -1.87 -0.24 119.26 119.58 1p1b h ALA 74 Ca -0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1p1b h ALA 74 Cb 0.96 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1p1b h ALA 74 CO 0.05 -0.42 -1.16 0.77 0.00 0.00 0.00 179.25 178.48 1p1b h SER 75 N 0.00 0.46 -0.29 0.00 0.02 -1.19 -2.44 113.55 110.12 1p1b h SER 75 Ca 0.14 -0.46 -0.17 0.00 -0.84 0.00 0.00 61.79 60.46 1p1b h SER 75 Cb 0.68 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1p1b h SER 75 CO -0.00 1.33 -0.45 -0.09 -1.14 0.00 0.00 176.83 176.47 1p1b h ARG 76 N 0.12 0.86 -0.34 3.45 9.65 -1.13 -2.82 114.38 124.16 1p1b h ARG 76 Ca -0.12 -0.48 0.02 0.00 -1.10 0.00 0.00 59.98 58.30 1p1b h ARG 76 Cb 1.86 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 30.45 1p1b h ARG 76 CO 0.19 1.12 0.18 0.28 2.80 0.00 0.00 179.97 184.55 1p1b h VAL 77 N 0.68 1.00 -0.05 0.20 2.07 -1.14 -1.65 116.25 117.36 1p1b h VAL 77 Ca 0.04 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1p1b h VAL 77 Cb 1.04 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1p1b h VAL 77 CO 0.10 0.07 0.06 1.56 0.02 0.00 0.00 177.57 179.38 1p1b h GLN 78 N 0.37 0.00 -1.18 1.57 1.08 -1.28 -2.20 115.11 113.46 1p1b h GLN 78 Ca 0.14 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.80 1p1b h GLN 78 Cb 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.24 1p1b h GLN 78 CO -0.09 0.00 0.70 0.00 -0.95 0.00 0.00 178.83 178.49 1p1b n GLN 79 N -3.71 2.34 -4.30 1.46 10.64 -0.62 -4.74 117.38 118.45 1p1b n GLN 79 Ca -0.02 -2.64 -0.18 0.00 -1.83 0.00 0.00 57.00 52.33 1p1b n GLN 79 Cb 0.15 -2.03 -0.11 0.00 -0.86 0.00 0.00 30.24 27.39 1p1b n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p1b s ALA 80 N -3.06 1.81 -0.00 2.61 0.00 -0.83 -5.00 121.76 117.29 1p1b s ALA 80 Ca 0.52 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1p1b s ALA 80 Cb 0.41 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 1p1b s ALA 80 CO -0.00 0.09 1.39 -2.30 0.00 0.00 0.00 175.76 174.94 1p1b n PRO 81 N 0.02 0.57 -2.13 0.00 -0.02 -1.26 -4.83 135.00 127.35 1p1b n PRO 81 Ca -0.11 -0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 60.77 1p1b n PRO 81 Cb 0.59 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 1p1b n PRO 81 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p1b s ILE 82 N 2.43 4.62 0.00 4.25 1.09 -1.26 -4.20 121.20 128.13 1p1b s ILE 82 Ca 0.19 1.05 0.00 0.00 -1.10 0.00 0.00 60.65 60.79 1p1b s ILE 82 Cb 0.09 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 1p1b s ILE 82 CO -0.00 -0.92 0.00 1.17 -0.10 0.00 0.00 174.94 175.09 1p1b n LYS 83 N -2.17 0.00 -4.38 2.79 4.81 0.21 -4.76 118.16 114.66 1p1b n LYS 83 Ca 0.06 0.09 -0.27 0.00 -0.87 0.00 0.00 58.31 57.33 1p1b n LYS 83 Cb 0.54 -0.54 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 1p1b n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1p1b s GLU 84 N -0.86 1.30 -0.39 1.64 2.02 -0.59 -3.86 118.70 117.97 1p1b s GLU 84 Ca 0.00 -1.25 0.03 0.00 0.02 0.00 0.00 54.97 53.77 1p1b s GLU 84 Cb 0.00 -1.68 0.11 0.00 0.10 0.00 0.00 34.13 32.66 1p1b s GLU 84 CO 0.00 0.40 0.13 -1.58 0.02 0.00 0.00 175.26 174.23 1p1b s HIS 85 N -1.08 3.09 -0.24 1.61 2.46 0.12 -0.91 115.29 120.34 1p1b s HIS 85 Ca 0.11 -2.78 -0.18 0.00 0.47 0.00 0.00 55.06 52.67 1p1b s HIS 85 Cb -0.10 -2.59 -0.03 0.00 -0.13 0.00 0.00 32.58 29.73 1p1b s HIS 85 CO 0.05 -0.87 0.51 -1.58 -2.47 0.00 0.00 174.74 170.38 1p1b s TRP 86 N 0.65 3.29 -0.08 3.88 0.52 -0.13 0.14 118.94 127.22 1p1b s TRP 86 Ca 0.13 0.66 0.01 0.00 0.02 0.00 0.00 56.10 56.93 1p1b s TRP 86 Cb -0.21 -2.70 0.02 0.00 -1.15 0.00 0.00 33.47 29.43 1p1b s TRP 86 CO -0.08 -0.23 -0.11 -1.50 0.02 0.00 0.00 176.95 175.06 1p1b s ILE 87 N 2.11 1.11 0.06 2.03 1.10 -1.10 -0.08 121.20 126.43 1p1b s ILE 87 Ca 0.22 -0.43 -0.16 0.00 -0.51 0.00 0.00 60.65 59.77 1p1b s ILE 87 Cb -0.16 -1.05 -0.06 0.00 0.15 0.00 0.00 42.46 41.34 1p1b s ILE 87 CO 0.09 0.36 0.49 -0.63 -2.11 0.00 0.00 174.94 173.14 1p1b s ILE 88 N 0.97 4.90 -0.19 2.00 1.01 -0.05 -1.88 121.20 127.96 1p1b s ILE 88 Ca -0.09 0.94 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 1p1b s ILE 88 Cb -0.15 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.60 1p1b s ILE 88 CO -0.00 0.48 0.49 -0.70 0.00 0.00 0.00 174.94 175.21 1p1b s GLU 89 N -1.34 0.55 -0.09 2.79 2.56 -0.79 0.25 118.70 122.62 1p1b s GLU 89 Ca 0.29 0.75 0.16 0.00 0.00 0.00 0.00 54.97 56.17 1p1b s GLU 89 Cb -0.17 0.21 -0.23 0.00 2.00 0.00 0.00 34.13 35.93 1p1b s GLU 89 CO 0.17 -0.09 0.22 0.00 -0.56 0.00 0.00 175.26 174.99 1p1b s ASN 91 N -4.47 7.09 0.20 0.00 3.84 -1.26 -4.57 114.94 115.77 1p1b s ASN 91 Ca -0.07 1.98 -0.09 0.00 0.21 0.00 0.00 52.86 54.89 1p1b s ASN 91 Cb 0.08 -2.58 0.13 0.00 -0.55 0.00 0.00 41.25 38.34 1p1b s ASN 91 CO 0.69 -0.47 1.77 0.44 -2.79 0.00 0.00 177.10 176.74 1p1b h ASP 92 N 6.84 1.00 -0.31 -4.21 3.32 -1.98 0.34 116.42 121.43 1p1b h ASP 92 Ca -0.41 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.44 1p1b h ASP 92 Cb 1.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1p1b h ASP 92 CO 0.81 0.89 0.06 1.23 -1.72 0.00 0.00 179.24 180.51 1p1b h GLY 93 N 1.05 0.55 1.70 2.75 0.00 -2.01 -2.64 103.07 104.49 1p1b h GLY 93 Ca 0.25 -0.36 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 1p1b h GLY 93 CO -0.02 0.34 -0.79 -2.08 0.00 0.00 0.00 176.54 173.98 1p1b h VAL 94 N 0.35 1.43 0.00 4.60 2.07 -1.93 -3.09 116.25 119.67 1p1b h VAL 94 Ca 0.10 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.23 1p1b h VAL 94 Cb 0.33 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1p1b h VAL 94 CO 0.00 0.69 -0.19 0.15 0.02 0.00 0.00 177.57 178.25 1p1b h PHE 95 N 0.18 0.00 0.04 1.57 3.04 -0.22 0.18 116.94 121.72 1p1b h PHE 95 Ca -0.04 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.64 1p1b h PHE 95 Cb 1.38 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.91 1p1b h PHE 95 CO 0.03 0.19 -1.10 0.37 -2.02 0.00 0.00 178.31 175.78 1p1b h GLN 96 N 0.00 0.66 -0.96 1.11 4.15 -1.45 -0.52 115.11 118.10 1p1b h GLN 96 Ca -0.00 -0.76 -0.00 0.00 0.77 0.00 0.00 58.65 58.66 1p1b h GLN 96 Cb 0.42 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 1p1b h GLN 96 CO 0.02 1.33 0.60 0.00 -1.93 0.00 0.00 178.83 178.86 1p1b h ARG 97 N 0.35 1.29 0.30 1.69 3.08 -1.30 -1.85 114.38 117.96 1p1b h ARG 97 Ca -0.14 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1p1b h ARG 97 Cb 1.76 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1p1b h ARG 97 CO 0.21 0.89 -0.15 1.25 -1.07 0.00 0.00 179.97 181.11 1p1b h LEU 98 N 1.32 -0.35 -0.74 3.04 5.85 -0.55 -1.52 115.31 122.35 1p1b h LEU 98 Ca 0.35 -0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.17 1p1b h LEU 98 Cb -0.09 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 40.91 1p1b h LEU 98 CO -0.07 -0.15 0.13 1.56 -0.34 0.00 0.00 178.44 179.57 1p1b h GLN 99 N -0.53 0.20 -0.18 1.25 4.20 -0.57 0.20 115.11 119.68 1p1b h GLN 99 Ca -0.04 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1p1b h GLN 99 Cb 0.39 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1p1b h GLN 99 CO 0.07 0.13 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.21 1p1b h ASN 100 N 0.21 0.53 -0.39 1.46 2.35 -1.29 -3.21 115.58 115.24 1p1b h ASN 100 Ca 0.42 -0.51 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1p1b h ASN 100 Cb 0.74 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 1p1b h ASN 100 CO -0.56 0.93 0.12 -0.25 -1.65 0.00 0.00 177.43 176.01 1p1b h TRP 101 N 0.14 0.20 -0.89 1.19 7.01 -0.21 -2.14 115.95 121.25 1p1b h TRP 101 Ca 0.02 0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.25 1p1b h TRP 101 Cb 0.80 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.77 1p1b h TRP 101 CO 0.09 0.07 0.59 0.00 -2.79 0.00 0.00 178.44 176.40 1p1b h ALA 102 N 1.27 2.23 0.00 2.65 0.00 -0.65 -1.14 119.26 123.61 1p1b h ALA 102 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p1b h ALA 102 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p1b h ALA 102 CO -0.20 -0.51 0.00 1.28 0.00 0.00 0.00 179.25 179.82 1p1b n LEU 103 N -4.50 0.00 -0.00 0.00 7.99 -0.80 -2.98 117.00 116.70 1p1b n LEU 103 Ca 0.19 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.60 1p1b n LEU 103 Cb 0.70 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1p1b n LEU 103 CO 0.31 -0.22 0.45 2.29 -1.51 0.00 0.00 177.39 178.71 1p1b n LYS 104 N -1.41 2.36 -2.84 3.23 2.85 -0.44 -5.05 118.16 116.87 1p1b n LYS 104 Ca 0.05 -1.31 -0.34 0.00 -1.05 0.00 0.00 58.31 55.65 1p1b n LYS 104 Cb 0.14 -0.91 -0.07 0.00 -0.65 0.00 0.00 35.03 33.55 1p1b n LYS 104 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1p1b s GLN 105 N -0.82 4.32 0.04 -1.58 -1.52 -1.16 -4.96 119.66 113.98 1p1b s GLN 105 Ca 0.00 1.15 0.22 0.00 -1.95 0.00 0.00 55.36 54.79 1p1b s GLN 105 Cb 0.00 -2.41 0.93 0.00 -0.22 0.00 0.00 33.01 31.32 1p1b s GLN 105 CO 0.00 0.09 1.71 -0.35 -0.25 0.00 0.00 175.29 176.49 1p1b n PRO 106 N -0.22 0.04 -4.10 2.91 -0.04 -1.26 -4.69 135.00 127.65 1p1b n PRO 106 Ca 0.05 0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 1p1b n PRO 106 Cb 0.53 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 32.26 1p1b n PRO 106 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1p1b s HIS 107 N -3.04 1.11 -0.30 0.54 3.76 -1.26 -5.07 115.29 111.04 1p1b s HIS 107 Ca 0.10 -0.43 -0.18 0.00 -0.15 0.00 0.00 55.06 54.40 1p1b s HIS 107 Cb 0.14 -0.95 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 1p1b s HIS 107 CO 0.42 -0.34 1.05 1.17 -0.85 0.00 0.00 174.74 176.19 1p1b n LYS 108 N 4.49 0.00 -3.66 1.40 3.00 -1.25 -4.44 118.16 117.70 1p1b n LYS 108 Ca -0.17 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.77 1p1b n LYS 108 Cb 0.51 -0.68 -0.07 0.00 0.00 0.00 0.00 35.03 34.79 1p1b n LYS 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1p1b s VAL 109 N 3.13 5.31 -0.54 3.15 1.01 -1.26 0.16 120.40 131.37 1p1b s VAL 109 Ca 0.57 0.48 0.04 0.00 0.00 0.00 0.00 61.98 63.06 1p1b s VAL 109 Cb -0.65 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.31 1p1b s VAL 109 CO 0.28 0.52 0.29 -0.69 0.00 0.00 0.00 175.10 175.49 1p1b s VAL 110 N -0.41 2.51 0.22 2.92 1.01 0.12 -4.91 120.40 121.87 1p1b s VAL 110 Ca 0.17 -3.40 -0.30 0.00 0.00 0.00 0.00 61.98 58.45 1p1b s VAL 110 Cb -0.13 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 1p1b s VAL 110 CO 0.06 -0.84 1.37 -2.84 0.00 0.00 0.00 175.10 172.84 1p1b s PRO 111 N -0.41 4.33 -0.28 2.72 0.02 -1.26 -2.72 135.00 137.40 1p1b s PRO 111 Ca 0.18 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1p1b s PRO 111 Cb -0.22 -3.15 0.08 0.00 0.02 0.00 0.00 34.50 31.23 1p1b s PRO 111 CO -0.03 -0.32 0.04 -0.51 -0.33 0.00 0.00 177.00 175.85 1p1b s LEU 112 N -0.27 2.78 0.20 -5.54 1.02 -0.79 -4.95 118.68 111.14 1p1b s LEU 112 Ca 0.58 -1.54 -0.30 0.00 0.02 0.00 0.00 54.13 52.89 1p1b s LEU 112 Cb -0.39 -1.10 -0.08 0.00 0.02 0.00 0.00 46.19 44.65 1p1b s LEU 112 CO 0.41 -0.34 1.05 -0.75 0.02 0.00 0.00 176.35 176.73 1p1b s LYS 113 N 1.42 4.67 0.00 1.70 2.47 -1.26 -1.89 119.74 126.86 1p1b s LYS 113 Ca 0.04 1.66 0.00 0.00 -1.56 0.00 0.00 55.97 56.11 1p1b s LYS 113 Cb -0.18 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.92 1p1b s LYS 113 CO -0.14 0.21 0.00 0.41 0.16 0.00 0.00 175.35 175.99 1p1b n GLY 114 N 1.77 0.97 3.77 5.54 0.00 0.27 -4.90 105.19 112.62 1p1b n GLY 114 Ca 0.01 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1p1b n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1b s LEU 115 N 0.00 4.54 0.63 0.99 1.43 -1.26 -2.27 118.68 122.73 1p1b s LEU 115 Ca 0.00 1.76 0.34 0.00 -1.03 0.00 0.00 54.13 55.21 1p1b s LEU 115 Cb 0.00 -3.58 1.93 0.00 0.03 0.00 0.00 46.19 44.57 1p1b s LEU 115 CO 0.00 0.12 2.17 4.11 0.23 0.00 0.00 176.35 182.98 1p1b h TRP 116 N 3.93 0.00 -0.17 0.29 5.08 -1.95 0.31 115.95 123.45 1p1b h TRP 116 Ca -0.46 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.46 1p1b h TRP 116 Cb 1.20 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 1p1b h TRP 116 CO 0.62 0.00 -0.09 0.93 -1.28 0.00 0.00 178.44 178.63 1p1b h GLU 117 N 0.00 0.26 0.00 0.12 3.07 -2.00 -2.02 114.58 114.01 1p1b h GLU 117 Ca 0.03 -0.05 -0.35 0.00 -0.50 0.00 0.00 59.36 58.49 1p1b h GLU 117 Cb 0.31 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 1p1b h GLU 117 CO -0.00 0.36 -2.33 -0.85 -1.40 0.00 0.00 179.01 174.80 1p1b n GLU 118 N -4.30 0.75 -0.03 2.33 0.28 0.87 -4.46 120.64 116.08 1p1b n GLU 118 Ca -0.00 0.07 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 1p1b n GLU 118 Cb 0.24 -1.48 -0.11 0.00 1.43 0.00 0.00 31.44 31.52 1p1b n GLU 118 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1p1b h VAL 119 N 0.00 1.51 -0.78 3.84 2.07 -0.94 -3.34 116.25 118.62 1p1b h VAL 119 Ca -0.52 -1.55 0.17 0.00 0.82 0.00 0.00 66.70 65.61 1p1b h VAL 119 Cb 1.97 2.56 -0.11 0.00 -1.52 0.00 0.00 31.29 34.19 1p1b h VAL 119 CO -0.03 0.40 0.25 0.00 0.02 0.00 0.00 177.57 178.21 1p1b h ALA 120 N 0.31 1.08 0.00 1.67 0.00 -1.58 0.12 119.26 120.86 1p1b h ALA 120 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1p1b h ALA 120 Cb 0.66 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p1b h ALA 120 CO 0.00 -0.31 0.11 -2.30 0.00 0.00 0.00 179.25 176.75 1p1b n PRO 121 N -5.09 0.08 0.00 0.00 -0.02 -1.25 -0.65 135.00 128.06 1p1b n PRO 121 Ca 0.16 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1p1b n PRO 121 Cb 0.49 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1p1b n PRO 121 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1p1b n THR 122 N -1.90 0.02 -2.89 3.45 -2.24 0.40 -4.92 114.28 106.19 1p1b n THR 122 Ca -0.01 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 1p1b n THR 122 Cb 0.12 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 1p1b n THR 122 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p1b s LEU 123 N -3.15 4.24 0.34 3.22 1.02 0.17 -5.05 118.68 119.48 1p1b s LEU 123 Ca 0.08 1.67 -0.19 0.00 0.02 0.00 0.00 54.13 55.71 1p1b s LEU 123 Cb 0.16 -4.03 -0.10 0.00 0.02 0.00 0.00 46.19 42.25 1p1b s LEU 123 CO 0.82 -0.11 0.83 -2.16 0.02 0.00 0.00 176.35 175.75 1p1b s PRO 124 N -2.33 4.20 0.84 1.29 0.04 -1.26 -5.04 135.00 132.74 1p1b s PRO 124 Ca 0.51 0.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 1p1b s PRO 124 Cb -0.16 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1p1b s PRO 124 CO 0.20 0.15 0.18 -0.25 0.04 0.00 0.00 177.00 177.32 1p1b n ASP 125 N -0.15 -2.63 -3.45 6.66 9.92 -1.26 -2.79 116.55 122.85 1p1b n ASP 125 Ca 0.03 0.42 -0.16 0.00 -0.53 0.00 0.00 54.79 54.56 1p1b n ASP 125 Cb 0.53 -1.10 -0.05 0.00 -0.64 0.00 0.00 41.12 39.86 1p1b n ASP 125 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p1b n GLY 126 N 2.02 -0.07 0.03 0.44 0.00 0.42 -4.78 105.19 103.25 1p1b n GLY 126 Ca 0.06 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1p1b n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1p1b n HIS 127 N -2.88 0.23 -4.37 1.61 -0.00 -0.64 -4.42 115.22 104.76 1p1b n HIS 127 Ca -0.17 0.07 -0.28 0.00 -0.00 0.00 0.00 57.72 57.34 1p1b n HIS 127 Cb 0.36 -0.41 -0.13 0.00 -0.00 0.00 0.00 29.99 29.81 1p1b n HIS 127 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1p1b s PHE 128 N -3.21 2.17 -0.19 1.57 0.08 -0.28 -4.81 117.98 113.30 1p1b s PHE 128 Ca 0.03 -0.39 0.19 0.00 0.12 0.00 0.00 56.93 56.88 1p1b s PHE 128 Cb 0.14 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 1p1b s PHE 128 CO 0.82 0.30 1.00 -0.44 -0.10 0.00 0.00 175.22 176.80 1p1b h ASP 129 N 3.95 0.00 -5.00 1.36 3.32 -0.96 0.03 116.42 119.12 1p1b h ASP 129 Ca -0.50 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 1p1b h ASP 129 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 1p1b h ASP 129 CO 0.39 0.30 -0.01 -0.83 -1.72 0.00 0.00 179.24 177.37 1p1b s GLY 130 N -4.56 -0.39 -0.01 2.75 0.00 -1.15 -0.88 107.32 103.08 1p1b s GLY 130 Ca -0.01 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.50 1p1b s GLY 130 CO 0.79 0.47 -0.09 -0.42 0.00 0.00 0.00 173.10 173.85 1p1b s ILE 131 N -1.63 0.71 -0.31 0.90 1.01 0.07 -1.22 121.20 120.73 1p1b s ILE 131 Ca -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1p1b s ILE 131 Cb -0.02 -0.59 0.10 0.00 0.01 0.00 0.00 42.46 41.95 1p1b s ILE 131 CO 0.05 0.20 0.08 -0.22 0.00 0.00 0.00 174.94 175.04 1p1b s LEU 132 N -0.22 2.72 -0.35 2.97 2.96 0.38 -1.22 118.68 125.91 1p1b s LEU 132 Ca 0.03 -1.69 -0.13 0.00 -0.22 0.00 0.00 54.13 52.12 1p1b s LEU 132 Cb -0.03 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1p1b s LEU 132 CO -0.00 -0.40 0.25 -0.47 -1.32 0.00 0.00 176.35 174.41 1p1b s TYR 133 N 1.48 3.23 -0.29 5.38 6.14 -0.74 -1.41 117.35 131.14 1p1b s TYR 133 Ca 0.09 -0.23 0.01 0.00 0.64 0.00 0.00 57.07 57.57 1p1b s TYR 133 Cb -0.18 -2.49 0.15 0.00 0.42 0.00 0.00 41.96 39.86 1p1b s TYR 133 CO -0.21 -0.38 0.35 0.34 0.64 0.00 0.00 175.55 176.29 1p1b s ASP 134 N 1.72 1.12 0.00 4.32 2.15 -1.20 -2.86 116.67 121.92 1p1b s ASP 134 Ca 0.06 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1p1b s ASP 134 Cb -0.17 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 1p1b s ASP 134 CO 0.11 -0.37 0.00 0.35 -0.17 0.00 0.00 175.17 175.08 1p1b n THR 135 N 5.33 0.00 -4.06 1.71 -2.24 -1.26 -4.43 114.28 109.32 1p1b n THR 135 Ca -0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1p1b n THR 135 Cb 0.48 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 1p1b n THR 135 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1p1b s TYR 136 N -0.92 0.63 0.12 4.78 -0.00 -1.26 -4.96 117.35 115.74 1p1b s TYR 136 Ca 0.00 -0.56 -0.31 0.00 -0.00 0.00 0.00 57.07 56.20 1p1b s TYR 136 Cb 0.00 -0.38 -0.10 0.00 -0.00 0.00 0.00 41.96 41.47 1p1b s TYR 136 CO 0.00 -0.11 1.87 -0.35 -0.00 0.00 0.00 175.55 176.95 1p1b n PRO 137 N 1.29 2.85 -0.06 -3.49 -0.04 -1.26 -4.82 135.00 129.46 1p1b n PRO 137 Ca -0.22 1.04 0.10 0.00 -0.04 0.00 0.00 63.50 64.38 1p1b n PRO 137 Cb 0.55 -2.95 0.41 0.00 -0.04 0.00 0.00 33.50 31.48 1p1b n PRO 137 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1p1b n LEU 138 N 5.92 1.22 -3.66 1.53 4.32 -1.26 -4.91 117.00 120.16 1p1b n LEU 138 Ca 0.18 -0.51 -0.06 0.00 -0.02 0.00 0.00 56.01 55.60 1p1b n LEU 138 Cb 0.38 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 1p1b n LEU 138 CO 0.66 0.26 0.63 -0.94 -1.22 0.00 0.00 177.39 176.78 1p1b s SER 139 N -1.55 -0.29 0.05 -1.43 1.04 -1.26 -5.06 113.70 105.20 1p1b s SER 139 Ca 0.31 -0.27 -0.26 0.00 0.48 0.00 0.00 55.95 56.20 1p1b s SER 139 Cb 0.16 0.51 -0.17 0.00 0.10 0.00 0.00 66.02 66.62 1p1b s SER 139 CO 0.24 -0.90 1.53 -0.08 0.98 0.00 0.00 173.24 175.01 1p1b h GLU 140 N 2.00 -0.30 -0.36 4.02 4.81 -2.01 -3.03 114.58 119.71 1p1b h GLU 140 Ca -0.24 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1p1b h GLU 140 Cb 1.25 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1p1b h GLU 140 CO 0.28 -0.10 0.00 -0.85 -0.73 0.00 0.00 179.01 177.61 1p1b n GLU 141 N -5.16 0.50 -1.33 1.92 0.28 -1.26 -2.05 120.64 113.54 1p1b n GLU 141 Ca -0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.92 1p1b n GLU 141 Cb 0.19 -1.18 -0.00 0.00 1.43 0.00 0.00 31.44 31.88 1p1b n GLU 141 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1p1b n THR 142 N 0.04 0.00 0.38 3.84 -2.24 -1.15 -4.93 114.28 110.23 1p1b n THR 142 Ca 0.00 -0.71 -0.15 0.00 -2.27 0.00 0.00 64.05 60.92 1p1b n THR 142 Cb 0.09 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1p1b n THR 142 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1p1b h TRP 143 N 0.71 -0.95 -0.23 4.78 2.91 -1.42 -2.75 115.95 119.00 1p1b h TRP 143 Ca -0.30 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.70 1p1b h TRP 143 Cb 1.75 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 30.72 1p1b h TRP 143 CO 0.08 -0.58 0.00 0.72 -1.03 0.00 0.00 178.44 177.63 1p1b n HIS 144 N -4.73 0.28 0.09 2.65 8.25 -1.26 -4.53 115.22 115.97 1p1b n HIS 144 Ca -0.12 -0.15 0.03 0.00 -0.26 0.00 0.00 57.72 57.22 1p1b n HIS 144 Cb 0.40 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1p1b n HIS 144 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1p1b n THR 145 N 1.35 0.00 -0.17 1.59 -2.24 -1.25 -4.82 114.28 108.74 1p1b n THR 145 Ca 0.16 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1p1b n THR 145 Cb 0.58 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1p1b n THR 145 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1p1b h HIS 146 N 0.00 -1.28 -0.95 4.78 2.07 -1.72 0.13 115.15 118.18 1p1b h HIS 146 Ca 0.00 0.08 0.28 0.00 -2.85 0.00 0.00 60.37 57.87 1p1b h HIS 146 Cb 0.23 0.63 -0.04 0.00 2.57 0.00 0.00 27.41 30.80 1p1b h HIS 146 CO 0.00 -0.43 0.72 -0.56 -3.07 0.00 0.00 177.93 174.58 1p1b h GLN 147 N -0.27 0.00 0.00 5.12 -0.00 -1.87 0.66 115.11 118.75 1p1b h GLN 147 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.77 1p1b h GLN 147 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.04 1p1b h GLN 147 CO -0.64 0.00 -0.21 0.74 -0.00 0.00 0.00 178.83 178.72 1p1b h PHE 148 N 0.00 0.00 0.24 0.06 0.05 -1.07 -0.33 116.94 115.89 1p1b h PHE 148 Ca 0.45 0.00 -0.33 0.00 3.82 0.00 0.00 57.97 61.91 1p1b h PHE 148 Cb 1.88 0.00 0.03 0.00 2.00 0.00 0.00 35.95 39.86 1p1b h PHE 148 CO 0.00 0.21 -1.49 -0.91 -0.18 0.00 0.00 178.31 175.94 1p1b h ASN 149 N 0.00 0.79 -0.37 2.17 2.35 0.49 -0.30 115.58 120.70 1p1b h ASN 149 Ca -0.00 -0.87 -0.14 0.00 -0.55 0.00 0.00 56.30 54.73 1p1b h ASN 149 Cb 0.79 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1p1b h ASN 149 CO 0.03 1.69 -0.33 0.15 -1.65 0.00 0.00 177.43 177.31 1p1b h PHE 150 N 0.14 1.04 0.64 1.19 3.57 -1.41 -2.00 116.94 120.12 1p1b h PHE 150 Ca -0.25 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 60.91 1p1b h PHE 150 Cb 2.15 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 40.67 1p1b h PHE 150 CO 0.12 1.11 -0.31 0.82 -2.23 0.00 0.00 178.31 177.82 1p1b h ILE 151 N 0.68 0.34 -0.76 1.41 2.04 -1.10 0.61 117.51 120.72 1p1b h ILE 151 Ca 0.06 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1p1b h ILE 151 Cb 0.92 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1p1b h ILE 151 CO 0.08 0.02 0.48 0.11 0.00 0.00 0.00 178.15 178.84 1p1b h LYS 152 N -0.95 0.90 0.15 2.37 1.57 -1.10 -2.51 116.57 117.00 1p1b h LYS 152 Ca -0.09 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.34 1p1b h LYS 152 Cb 0.68 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1p1b h LYS 152 CO 0.14 0.60 -1.40 1.15 -0.57 0.00 0.00 179.45 179.37 1p1b h THR 153 N 0.93 1.32 0.00 -0.16 2.02 -1.32 -3.44 112.91 112.27 1p1b h THR 153 Ca 0.31 -2.90 0.00 0.00 0.77 0.00 0.00 66.41 64.59 1p1b h THR 153 Cb 0.03 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1p1b h THR 153 CO -0.12 0.85 -0.85 1.41 0.37 0.00 0.00 175.52 177.19 1p1b n HIS 154 N -3.53 0.00 -0.04 3.16 8.25 0.20 -4.75 115.22 118.51 1p1b n HIS 154 Ca -0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.24 1p1b n HIS 154 Cb 1.05 0.01 -0.02 0.00 1.12 0.00 0.00 29.99 32.14 1p1b n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p1b h ALA 155 N 0.00 -0.17 -0.14 -1.41 0.00 -0.90 0.90 119.26 117.54 1p1b h ALA 155 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1p1b h ALA 155 Cb 0.85 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1p1b h ALA 155 CO 0.00 -0.69 -0.05 0.35 0.00 0.00 0.00 179.25 178.86 1p1b h PHE 156 N -0.27 -0.11 -0.11 0.00 3.04 -1.81 -2.83 116.94 114.86 1p1b h PHE 156 Ca 0.13 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.97 1p1b h PHE 156 Cb 0.47 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1p1b h PHE 156 CO -0.40 -0.08 -0.47 0.07 -2.02 0.00 0.00 178.31 175.41 1p1b h ARG 157 N -0.02 0.27 0.00 1.11 0.11 -1.79 -3.14 114.38 110.91 1p1b h ARG 157 Ca 0.07 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1p1b h ARG 157 Cb 0.13 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1p1b h ARG 157 CO -0.16 0.69 0.00 1.28 0.10 0.00 0.00 179.97 181.88 1p1b n LEU 158 N -3.98 0.12 -4.81 0.08 4.77 0.29 0.16 117.00 113.63 1p1b n LEU 158 Ca -0.02 0.52 -0.39 0.00 -0.03 0.00 0.00 56.01 56.10 1p1b n LEU 158 Cb 0.53 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1p1b n LEU 158 CO 0.43 -0.18 0.25 -0.76 -1.33 0.00 0.00 177.39 175.80 1p1b s LEU 159 N -3.24 4.52 0.55 2.23 1.43 -1.08 -1.13 118.68 121.96 1p1b s LEU 159 Ca 0.10 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.27 1p1b s LEU 159 Cb 0.13 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 1p1b s LEU 159 CO 0.40 0.28 1.00 -0.54 0.23 0.00 0.00 176.35 177.72 1p1b s LYS 160 N -1.10 3.83 0.32 1.70 1.02 -0.00 -4.09 119.74 121.42 1p1b s LYS 160 Ca 0.28 0.91 -0.29 0.00 0.02 0.00 0.00 55.97 56.88 1p1b s LYS 160 Cb -0.19 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 34.89 1p1b s LYS 160 CO 0.18 -0.37 1.53 -2.30 -0.92 0.00 0.00 175.35 173.47 1p1b n PRO 161 N -1.92 2.62 -0.06 -1.68 -0.02 -1.26 0.18 135.00 132.84 1p1b n PRO 161 Ca 0.06 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1p1b n PRO 161 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1p1b n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p1b n GLY 162 N 1.51 1.83 3.72 -1.23 0.00 0.19 -4.99 105.19 106.22 1p1b n GLY 162 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1p1b n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1b s GLY 163 N -1.97 2.04 -0.05 -0.02 0.00 0.13 -4.61 107.32 102.84 1p1b s GLY 163 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 44.72 45.45 1p1b s GLY 163 CO 0.00 1.07 -0.20 -1.50 0.00 0.00 0.00 173.10 172.47 1p1b s ILE 164 N -2.35 2.58 -0.16 0.90 2.07 -0.06 -0.58 121.20 123.60 1p1b s ILE 164 Ca 0.69 -0.90 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1p1b s ILE 164 Cb -0.25 -1.97 0.02 0.00 0.13 0.00 0.00 42.46 40.39 1p1b s ILE 164 CO 0.50 0.58 -0.18 -0.22 -1.91 0.00 0.00 174.94 173.72 1p1b s LEU 165 N -0.53 1.92 0.03 8.50 2.96 0.14 -0.76 118.68 130.94 1p1b s LEU 165 Ca 0.07 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1p1b s LEU 165 Cb -0.11 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 1p1b s LEU 165 CO 0.01 -0.01 -0.21 0.28 -1.32 0.00 0.00 176.35 175.10 1p1b s THR 166 N 1.30 1.66 0.09 3.68 -1.32 -0.36 -1.86 115.64 118.83 1p1b s THR 166 Ca 0.03 -1.11 -0.01 0.00 -1.21 0.00 0.00 61.69 59.39 1p1b s THR 166 Cb -0.13 -1.42 0.01 0.00 -1.51 0.00 0.00 72.50 69.44 1p1b s THR 166 CO -0.10 0.28 0.14 0.00 -2.21 0.00 0.00 174.62 172.73 1p1b n TYR 167 N 2.06 -0.85 -3.63 9.09 4.11 -1.26 -1.79 117.16 124.89 1p1b n TYR 167 Ca -0.17 -0.55 -0.03 0.00 -0.00 0.00 0.00 57.90 57.15 1p1b n TYR 167 Cb 0.53 0.16 -0.03 0.00 -0.00 0.00 0.00 39.34 40.00 1p1b n TYR 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1p1b s ASN 169 N -1.38 1.07 0.23 0.00 3.84 -1.26 -4.66 114.94 112.79 1p1b s ASN 169 Ca 0.09 -2.91 -0.07 0.00 0.21 0.00 0.00 52.86 50.18 1p1b s ASN 169 Cb -0.01 -0.16 0.28 0.00 -0.55 0.00 0.00 41.25 40.81 1p1b s ASN 169 CO -0.06 -0.16 1.86 -0.07 -2.79 0.00 0.00 177.10 175.89 1p1b h LEU 170 N 5.57 0.84 -0.54 3.21 4.07 -1.97 -0.33 115.31 126.16 1p1b h LEU 170 Ca 0.24 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 1p1b h LEU 170 Cb 0.93 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 1p1b h LEU 170 CO 0.33 0.56 0.04 0.71 -1.08 0.00 0.00 178.44 179.00 1p1b h THR 171 N 0.98 1.26 -0.33 0.22 1.35 -1.96 0.32 112.91 114.75 1p1b h THR 171 Ca 0.34 -1.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.11 1p1b h THR 171 Cb 0.08 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 1p1b h THR 171 CO -0.14 0.37 0.01 -1.28 -0.25 0.00 0.00 175.52 174.23 1p1b h SER 172 N 0.80 0.57 0.37 5.36 0.87 -1.82 -1.35 113.55 118.35 1p1b h SER 172 Ca 0.16 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 1p1b h SER 172 Cb 0.48 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1p1b h SER 172 CO 0.02 0.73 -0.37 -0.50 -0.53 0.00 0.00 176.83 176.18 1p1b h TRP 173 N 0.39 0.01 -0.06 2.24 6.55 -0.91 -0.80 115.95 123.37 1p1b h TRP 173 Ca 0.10 -0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.81 1p1b h TRP 173 Cb 0.43 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1p1b h TRP 173 CO 0.03 0.38 -0.52 0.78 -1.05 0.00 0.00 178.44 178.06 1p1b h GLY 174 N 1.11 0.17 0.41 1.49 0.00 -0.07 -0.69 103.07 105.49 1p1b h GLY 174 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1p1b h GLY 174 CO 0.05 0.17 -0.20 -2.09 0.00 0.00 0.00 176.54 174.47 1p1b h GLU 175 N 0.12 -0.53 -0.91 4.80 4.81 -0.56 -3.05 114.58 119.25 1p1b h GLU 175 Ca 0.00 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.43 1p1b h GLU 175 Cb 0.96 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1p1b h GLU 175 CO 0.08 -0.35 0.59 -0.07 -0.73 0.00 0.00 179.01 178.52 1p1b h LEU 176 N -1.12 0.64 -0.09 1.64 4.07 -1.19 -0.57 115.31 118.69 1p1b h LEU 176 Ca -0.06 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1p1b h LEU 176 Cb 0.42 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1p1b h LEU 176 CO 0.09 0.30 -0.08 0.23 -1.08 0.00 0.00 178.44 177.90 1p1b n MET 177 N -4.58 0.44 0.01 1.13 2.81 -0.27 -1.31 117.12 115.34 1p1b n MET 177 Ca 0.18 -0.09 -0.21 0.00 -1.81 0.00 0.00 57.70 55.77 1p1b n MET 177 Cb 0.52 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.39 1p1b n MET 177 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1p1b n LYS 178 N -1.20 0.76 0.00 0.03 4.81 -0.24 -4.69 118.16 117.63 1p1b n LYS 178 Ca 0.13 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1p1b n LYS 178 Cb 0.28 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1p1b n LYS 178 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1p1b n SER 179 N -3.48 0.00 -0.31 3.14 3.41 -1.08 -4.89 113.62 110.40 1p1b n SER 179 Ca -0.32 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1p1b n SER 179 Cb 1.05 -0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.34 1p1b n SER 179 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1p1b h LYS 180 N 0.00 0.21 -6.17 4.33 1.79 -1.77 -3.44 116.57 111.51 1p1b h LYS 180 Ca 0.00 -0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 57.88 1p1b h LYS 180 Cb 0.00 -0.05 -0.16 0.00 -1.58 0.00 0.00 32.23 30.44 1p1b h LYS 180 CO 0.00 0.14 -0.78 0.71 -1.08 0.00 0.00 179.45 178.44 1p1b s TYR 181 N -5.86 2.10 0.00 -1.35 1.51 -0.43 -5.02 117.35 108.29 1p1b s TYR 181 Ca -0.12 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1p1b s TYR 181 Cb 0.27 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 41.14 1p1b s TYR 181 CO 0.78 0.51 0.00 0.25 -1.11 0.00 0.00 175.55 175.97 1p1b n THR 182 N -0.09 0.00 -4.11 -0.71 -2.24 -1.26 -4.52 114.28 101.35 1p1b n THR 182 Ca -0.10 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 1p1b n THR 182 Cb 0.58 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1p1b n THR 182 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p1b s ASP 183 N -1.52 3.91 0.42 3.42 2.15 -1.26 -5.02 116.67 118.77 1p1b s ASP 183 Ca 0.00 -0.46 0.12 0.00 0.43 0.00 0.00 52.55 52.64 1p1b s ASP 183 Cb 0.00 -1.64 0.91 0.00 -0.30 0.00 0.00 42.92 41.89 1p1b s ASP 183 CO 0.00 0.01 1.98 -0.29 -0.17 0.00 0.00 175.17 176.70 1p1b h ILE 184 N 5.73 1.14 0.00 4.11 2.10 -1.96 -2.56 117.51 126.07 1p1b h ILE 184 Ca -0.40 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 64.94 1p1b h ILE 184 Cb 1.16 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 1p1b h ILE 184 CO 0.61 0.18 -0.12 0.71 -1.08 0.00 0.00 178.15 178.45 1p1b h THR 185 N 0.16 0.00 0.09 2.19 1.35 -1.99 -2.96 112.91 111.75 1p1b h THR 185 Ca 0.03 -0.78 -0.26 0.00 -0.55 0.00 0.00 66.41 64.86 1p1b h THR 185 Cb 0.28 1.71 0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1p1b h THR 185 CO 0.02 0.00 -1.15 0.00 -0.25 0.00 0.00 175.52 174.14 1p1b h ALA 186 N 2.22 0.18 -0.06 6.62 0.00 -1.89 -2.02 119.26 124.30 1p1b h ALA 186 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 1p1b h ALA 186 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1p1b h ALA 186 CO 0.00 0.90 -0.46 0.00 0.00 0.00 0.00 179.25 179.69 1p1b h MET 187 N 0.13 0.15 -0.19 0.00 3.00 -1.50 -1.21 114.93 115.32 1p1b h MET 187 Ca -0.12 -0.08 -0.17 0.00 0.00 0.00 0.00 59.70 59.32 1p1b h MET 187 Cb 1.84 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 33.44 1p1b h MET 187 CO 0.19 0.59 -0.60 0.35 0.00 0.00 0.00 176.91 177.45 1p1b h PHE 188 N 0.13 0.79 -0.22 -0.10 3.04 -1.48 0.13 116.94 119.24 1p1b h PHE 188 Ca 0.01 -0.30 -0.02 0.00 3.98 0.00 0.00 57.97 61.64 1p1b h PHE 188 Cb 0.87 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1p1b h PHE 188 CO 0.01 1.06 0.04 1.49 -2.02 0.00 0.00 178.31 178.89 1p1b h GLU 189 N 0.46 0.35 -0.03 1.11 4.57 -0.98 0.22 114.58 120.29 1p1b h GLU 189 Ca -0.00 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1p1b h GLU 189 Cb 1.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1p1b h GLU 189 CO 0.12 0.48 -0.16 0.93 -1.18 0.00 0.00 179.01 179.19 1p1b h GLU 190 N 0.16 0.16 0.00 1.92 5.08 -1.22 -3.34 114.58 117.34 1p1b h GLU 190 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1p1b h GLU 190 Cb 0.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1p1b h GLU 190 CO 0.00 0.80 -1.17 0.25 -1.00 0.00 0.00 179.01 177.90 1p1b n THR 191 N -4.59 0.19 -0.04 1.13 -2.24 0.46 -4.68 114.28 104.52 1p1b n THR 191 Ca -0.09 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1p1b n THR 191 Cb 0.42 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1p1b n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p1b n GLN 192 N -2.07 0.25 -0.28 -0.78 1.13 -0.02 -4.79 117.38 110.82 1p1b n GLN 192 Ca 0.01 0.11 0.01 0.00 -1.94 0.00 0.00 57.00 55.18 1p1b n GLN 192 Cb 0.46 -0.94 0.08 0.00 0.11 0.00 0.00 30.24 29.96 1p1b n GLN 192 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1p1b h VAL 193 N -0.46 0.18 -0.97 5.09 2.07 -1.44 -1.76 116.25 118.96 1p1b h VAL 193 Ca -0.14 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.64 1p1b h VAL 193 Cb 0.81 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1p1b h VAL 193 CO -0.08 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.38 1p1b h PRO 194 N -0.03 0.45 0.06 1.57 0.11 -1.83 -0.64 132.00 131.69 1p1b h PRO 194 Ca 0.36 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 66.20 1p1b h PRO 194 Cb 0.58 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1p1b h PRO 194 CO -0.82 0.30 -1.07 0.00 -0.21 0.00 0.00 178.00 176.19 1p1b h ALA 195 N 1.76 0.27 -0.64 -0.75 0.00 -1.64 -2.35 119.26 115.91 1p1b h ALA 195 Ca 0.64 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1p1b h ALA 195 Cb 1.28 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1p1b h ALA 195 CO -0.53 0.96 0.11 -0.07 0.00 0.00 0.00 179.25 179.72 1p1b h LEU 196 N 0.10 0.99 -0.31 0.00 4.07 -0.91 0.48 115.31 119.73 1p1b h LEU 196 Ca -0.09 -0.22 -0.12 0.00 0.08 0.00 0.00 57.88 57.52 1p1b h LEU 196 Cb 1.77 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 43.24 1p1b h LEU 196 CO 0.17 0.98 -0.30 -0.07 -1.08 0.00 0.00 178.44 178.14 1p1b h LEU 197 N 0.97 0.79 -1.44 1.67 4.07 -1.21 -2.27 115.31 117.89 1p1b h LEU 197 Ca 0.20 -0.47 0.03 0.00 0.08 0.00 0.00 57.88 57.72 1p1b h LEU 197 Cb 0.41 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1p1b h LEU 197 CO 0.01 1.10 0.40 -0.08 -1.08 0.00 0.00 178.44 178.79 1p1b h GLU 198 N 0.50 0.71 0.00 1.13 4.81 -0.91 0.16 114.58 120.99 1p1b h GLU 198 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1p1b h GLU 198 Cb 0.87 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1p1b h GLU 198 CO 0.07 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 1p1b n ALA 199 N -2.45 1.56 0.00 2.92 0.00 0.16 -4.86 120.51 117.84 1p1b n ALA 199 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1p1b n ALA 199 Cb 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1p1b n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1b n GLY 200 N -0.22 1.81 3.63 0.00 0.00 0.56 -4.77 105.19 106.21 1p1b n GLY 200 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1p1b n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1b s PHE 201 N -1.52 1.48 0.07 1.61 0.40 -0.88 -4.97 117.98 114.17 1p1b s PHE 201 Ca 0.00 0.81 0.08 0.00 -0.60 0.00 0.00 56.93 57.22 1p1b s PHE 201 Cb 0.00 -3.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.18 1p1b s PHE 201 CO 0.00 -3.33 -0.23 -0.65 0.70 0.00 0.00 175.22 171.71 1p1b s GLN 202 N -5.09 1.41 0.35 0.44 -1.52 -1.26 -4.32 119.66 109.67 1p1b s GLN 202 Ca 0.67 -1.08 0.14 0.00 -1.95 0.00 0.00 55.36 53.14 1p1b s GLN 202 Cb -0.16 -1.63 1.13 0.00 -0.22 0.00 0.00 33.01 32.14 1p1b s GLN 202 CO 0.57 0.40 1.58 -0.09 -0.25 0.00 0.00 175.29 177.51 1p1b h ARG 203 N 4.53 0.01 0.00 2.91 9.65 -1.97 1.27 114.38 130.78 1p1b h ARG 203 Ca -0.45 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 1p1b h ARG 203 Cb 1.16 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1p1b h ARG 203 CO 0.42 0.01 -0.03 1.05 2.80 0.00 0.00 179.97 184.22 1p1b h GLU 204 N 0.01 0.00 0.00 0.20 9.09 -2.00 -2.36 114.58 119.52 1p1b h GLU 204 Ca 0.76 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 60.04 1p1b h GLU 204 Cb 1.87 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.95 1p1b h GLU 204 CO -0.83 0.03 -0.61 -0.91 0.05 0.00 0.00 179.01 176.74 1p1b h ASN 205 N 0.00 0.00 -3.06 3.06 2.35 0.13 -3.45 115.58 114.62 1p1b h ASN 205 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1p1b h ASN 205 Cb 0.31 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.60 1p1b h ASN 205 CO 0.00 0.61 -0.32 0.27 -1.65 0.00 0.00 177.43 176.34 1p1b s ILE 206 N -3.06 5.27 0.22 2.81 -5.25 -0.89 -1.36 121.20 118.94 1p1b s ILE 206 Ca 0.02 0.56 0.00 0.00 -0.99 0.00 0.00 60.65 60.24 1p1b s ILE 206 Cb 0.09 -3.60 -0.04 0.00 2.95 0.00 0.00 42.46 41.86 1p1b s ILE 206 CO 0.75 0.50 0.13 0.00 -1.79 0.00 0.00 174.94 174.53 1p1b s THR 208 N -4.01 0.11 -0.19 0.00 -4.23 -1.26 -1.03 115.64 105.02 1p1b s THR 208 Ca 0.39 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1p1b s THR 208 Cb 0.07 -0.70 0.06 0.00 1.34 0.00 0.00 72.50 73.26 1p1b s THR 208 CO 0.13 -0.51 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.00 1p1b s GLU 209 N -2.11 1.06 -0.11 3.99 2.12 -0.19 -4.94 118.70 118.52 1p1b s GLU 209 Ca -0.09 -0.57 -0.17 0.00 0.36 0.00 0.00 54.97 54.50 1p1b s GLU 209 Cb -0.04 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 1p1b s GLU 209 CO -0.02 -0.58 0.43 0.08 -0.54 0.00 0.00 175.26 174.63 1p1b s VAL 210 N 1.69 5.19 0.10 3.70 1.01 -1.26 -0.27 120.40 130.56 1p1b s VAL 210 Ca -0.02 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.90 1p1b s VAL 210 Cb -0.17 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1p1b s VAL 210 CO -0.07 0.37 -0.21 0.00 0.00 0.00 0.00 175.10 175.19 1p1b s MET 211 N 0.38 1.18 0.02 2.72 0.23 0.18 -4.95 119.30 119.05 1p1b s MET 211 Ca 0.24 -1.14 -0.29 0.00 -1.03 0.00 0.00 55.69 53.47 1p1b s MET 211 Cb -0.15 -1.43 -0.04 0.00 -1.53 0.00 0.00 34.83 31.68 1p1b s MET 211 CO 0.09 0.34 0.93 0.00 -2.03 0.00 0.00 175.02 174.36 1p1b s ALA 212 N -1.10 3.21 -0.30 3.16 0.00 -1.26 0.43 121.76 125.89 1p1b s ALA 212 Ca 0.07 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 1p1b s ALA 212 Cb -0.10 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 19.91 1p1b s ALA 212 CO 0.04 -0.16 0.65 -1.17 0.00 0.00 0.00 175.76 175.12 1p1b s LEU 213 N 0.74 -1.21 -0.33 0.00 0.20 -0.40 -4.86 118.68 112.82 1p1b s LEU 213 Ca 0.49 1.22 -0.14 0.00 0.69 0.00 0.00 54.13 56.38 1p1b s LEU 213 Cb -0.21 2.20 -0.02 0.00 -0.43 0.00 0.00 46.19 47.73 1p1b s LEU 213 CO 0.27 -0.23 0.31 -0.69 -0.29 0.00 0.00 176.35 175.72 1p1b s VAL 214 N 2.87 5.22 0.70 1.68 1.01 -1.26 -3.03 120.40 127.59 1p1b s VAL 214 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1p1b s VAL 214 Cb -0.13 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1p1b s VAL 214 CO -0.20 -0.00 1.13 -2.84 0.00 0.00 0.00 175.10 173.19 1p1b s PRO 215 N 1.91 2.50 0.70 2.72 0.02 -1.26 -4.99 135.00 136.60 1p1b s PRO 215 Ca 0.10 1.43 -0.15 0.00 0.02 0.00 0.00 61.00 62.40 1p1b s PRO 215 Cb -0.17 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.47 1p1b s PRO 215 CO 0.11 -1.49 1.18 -2.14 -0.33 0.00 0.00 177.00 174.33 1p1b s PRO 216 N -4.22 2.38 0.46 5.54 0.02 -1.26 -4.90 135.00 133.02 1p1b s PRO 216 Ca 0.67 1.65 0.22 0.00 0.02 0.00 0.00 61.00 63.57 1p1b s PRO 216 Cb -0.22 -1.87 1.22 0.00 0.02 0.00 0.00 34.50 33.65 1p1b s PRO 216 CO 0.45 -1.62 1.87 0.00 -0.33 0.00 0.00 177.00 177.37 1p1b h ALA 217 N -0.12 2.41 -0.60 -1.55 0.00 -1.98 -1.49 119.26 115.94 1p1b h ALA 217 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1p1b h ALA 217 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1p1b h ALA 217 CO 0.51 -0.69 0.00 -0.40 0.00 0.00 0.00 179.25 178.67 1p1b n ASP 218 N -4.44 4.40 -4.64 0.00 5.75 -1.26 -4.93 116.55 111.43 1p1b n ASP 218 Ca 0.19 -2.40 -0.42 0.00 -0.01 0.00 0.00 54.79 52.15 1p1b n ASP 218 Cb 0.78 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1p1b n ASP 218 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p1b h ARG 220 N 10.91 0.00 0.00 0.00 3.08 -1.91 -3.37 114.38 123.08 1p1b h ARG 220 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1p1b h ARG 220 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1p1b h ARG 220 CO 0.97 0.00 0.00 2.48 -1.07 0.00 0.00 179.97 182.35 1p1b n TYR 221 N -2.73 0.00 -3.70 3.04 4.11 -1.26 -5.02 117.16 111.59 1p1b n TYR 221 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.82 1p1b n TYR 221 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 1p1b n TYR 221 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1p1b s TYR 222 N -0.46 -0.47 0.00 -3.48 6.14 -1.26 -4.11 117.35 113.71 1p1b s TYR 222 Ca 0.00 1.04 0.00 0.00 0.64 0.00 0.00 57.07 58.75 1p1b s TYR 222 Cb 0.00 0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.51 1p1b s TYR 222 CO 0.00 -0.31 0.19 0.00 0.64 0.00 0.00 175.55 176.08 1p1b n ALA 223 N 4.48 1.41 -2.01 3.97 0.00 -1.26 -4.74 120.51 122.36 1p1b n ALA 223 Ca -0.21 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1p1b n ALA 223 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1p1b n ALA 223 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1p1b s PHE 224 N -0.22 3.61 -1.93 0.00 5.36 -1.26 -4.87 117.98 118.67 1p1b s PHE 224 Ca 0.00 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1p1b s PHE 224 Cb 0.00 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1p1b s PHE 224 CO 0.00 -0.54 0.60 -0.35 -1.46 0.00 0.00 175.22 173.47 1p1b n PRO 225 N 2.17 0.62 -3.67 10.12 -0.04 -1.26 -4.50 135.00 138.43 1p1b n PRO 225 Ca 0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 1p1b n PRO 225 Cb 0.46 -1.02 -0.07 0.00 -0.04 0.00 0.00 33.50 32.83 1p1b n PRO 225 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1p1b s GLN 226 N -1.93 0.84 0.17 0.54 -2.07 -1.17 -1.28 119.66 114.76 1p1b s GLN 226 Ca 0.00 -0.11 0.08 0.00 -1.82 0.00 0.00 55.36 53.51 1p1b s GLN 226 Cb 0.00 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.26 1p1b s GLN 226 CO 0.00 -0.26 -0.03 -1.64 -1.32 0.00 0.00 175.29 172.05 1p1b s MET 227 N -1.56 2.31 -0.08 9.60 -1.94 0.17 -4.86 119.30 122.94 1p1b s MET 227 Ca -0.11 -1.14 0.04 0.00 -1.71 0.00 0.00 55.69 52.78 1p1b s MET 227 Cb -0.03 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.50 1p1b s MET 227 CO 0.04 0.45 -0.23 -1.50 -0.01 0.00 0.00 175.02 173.78 1p1b s ILE 228 N -1.69 1.95 -0.28 2.53 2.07 -1.26 0.49 121.20 125.00 1p1b s ILE 228 Ca 0.27 -0.97 -0.03 0.00 -1.41 0.00 0.00 60.65 58.50 1p1b s ILE 228 Cb -0.09 -1.68 0.03 0.00 0.13 0.00 0.00 42.46 40.85 1p1b s ILE 228 CO 0.18 0.54 -0.00 -0.89 -1.91 0.00 0.00 174.94 172.85 1p1b s THR 229 N 0.22 3.20 0.21 4.00 2.01 0.63 -4.93 115.64 120.98 1p1b s THR 229 Ca -0.14 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.51 1p1b s THR 229 Cb -0.16 -2.70 -0.08 0.00 0.01 0.00 0.00 72.50 69.56 1p1b s THR 229 CO 0.07 0.07 1.04 -2.84 -0.69 0.00 0.00 174.62 172.26 1p1b s PRO 230 N 1.35 4.69 -0.42 4.92 0.02 -1.26 -1.02 135.00 143.27 1p1b s PRO 230 Ca -0.01 1.65 0.02 0.00 0.02 0.00 0.00 61.00 62.68 1p1b s PRO 230 Cb -0.18 -3.27 0.12 0.00 0.02 0.00 0.00 34.50 31.20 1p1b s PRO 230 CO -0.02 0.24 0.19 -0.51 -0.33 0.00 0.00 177.00 176.58 1p1b s LEU 231 N -0.81 3.40 -0.38 -5.54 1.43 -0.19 -4.31 118.68 112.27 1p1b s LEU 231 Ca 0.46 -2.50 -0.13 0.00 -1.03 0.00 0.00 54.13 50.93 1p1b s LEU 231 Cb -0.28 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.68 1p1b s LEU 231 CO 0.35 -0.30 0.24 -0.69 0.23 0.00 0.00 176.35 176.18 1p1b s VAL 232 N 0.47 4.91 -0.05 -1.59 1.01 -0.78 -1.66 120.40 122.72 1p1b s VAL 232 Ca 0.15 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1p1b s VAL 232 Cb -0.23 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1p1b s VAL 232 CO -0.05 -0.22 0.34 -0.89 0.00 0.00 0.00 175.10 174.28 1p1b s THR 233 N 1.62 5.17 0.05 3.92 2.01 -0.47 -0.69 115.64 127.27 1p1b s THR 233 Ca 0.04 0.68 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 1p1b s THR 233 Cb -0.19 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1p1b s THR 233 CO 0.08 0.55 0.63 -0.75 -0.69 0.00 0.00 174.62 174.44 1p1b s LYS 234 N -0.81 4.32 0.00 4.92 2.47 0.25 -4.73 119.74 126.17 1p1b s LYS 234 Ca 0.21 0.82 0.28 0.00 -1.56 0.00 0.00 55.97 55.72 1p1b s LYS 234 Cb -0.15 -3.29 1.66 0.00 -1.46 0.00 0.00 37.83 34.58 1p1b s LYS 234 CO 0.10 0.49 2.00 1.58 0.16 0.00 0.00 175.35 179.69