#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 -0.69 -1.55 5.08 -2.05 -2.41 115.95 114.33 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 -2.44 3.43 -0.13 0.12 0.00 -1.26 -4.53 120.64 115.83 1p1b n GLU 45 Ca 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 57.16 54.29 1p1b n GLU 45 Cb 0.16 -1.80 0.03 0.00 0.00 0.00 0.00 31.44 29.83 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 4.23 0.71 -0.99 3.84 2.02 -1.86 0.57 112.91 121.43 1p1b h THR 46 Ca 0.00 -0.05 0.14 0.00 0.77 0.00 0.00 66.41 67.27 1p1b h THR 46 Cb 1.31 0.56 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 1p1b h THR 46 CO 0.16 0.02 0.62 -0.65 0.37 0.00 0.00 175.52 176.04 1p1b h PRO 47 N 0.13 0.88 -0.22 6.66 0.11 -1.85 0.26 132.00 137.97 1p1b h PRO 47 Ca 0.20 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.06 1p1b h PRO 47 Cb 0.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1p1b h PRO 47 CO -0.32 0.58 -0.66 -0.92 -0.21 0.00 0.00 178.00 176.47 1p1b h TYR 48 N 0.91 1.05 -0.40 0.65 -0.00 -1.60 -2.25 116.97 115.34 1p1b h TYR 48 Ca 0.50 -0.42 -0.00 0.00 -0.00 0.00 0.00 58.73 58.81 1p1b h TYR 48 Cb 0.59 -0.18 -0.02 0.00 -0.00 0.00 0.00 36.73 37.12 1p1b h TYR 48 CO -0.00 1.24 0.23 0.52 -0.00 0.00 0.00 178.16 180.15 1p1b h MET 49 N 0.59 0.53 -0.05 1.82 2.86 0.17 -1.84 114.93 119.01 1p1b h MET 49 Ca -0.02 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 1p1b h MET 49 Cb 1.27 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1p1b h MET 49 CO 0.14 0.38 -0.73 0.45 1.06 0.00 0.00 176.91 178.21 1p1b h HIS 50 N 0.54 0.36 -0.46 -0.22 3.86 -0.77 -2.39 115.15 116.07 1p1b h HIS 50 Ca 0.14 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 1p1b h HIS 50 Cb -0.01 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1p1b h HIS 50 CO 0.00 0.90 -0.17 1.03 0.86 0.00 0.00 177.93 180.55 1p1b h SER 51 N 0.17 0.95 -0.45 2.45 0.87 -0.75 0.14 113.55 116.93 1p1b h SER 51 Ca -0.03 -0.38 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 1p1b h SER 51 Cb 1.29 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1p1b h SER 51 CO 0.11 1.12 0.01 -0.07 -0.53 0.00 0.00 176.83 177.47 1p1b h LEU 52 N 0.77 0.77 -0.13 2.23 3.38 -1.38 -1.66 115.31 119.28 1p1b h LEU 52 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1p1b h LEU 52 Cb 0.74 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1p1b h LEU 52 CO 0.06 0.88 0.06 0.00 0.09 0.00 0.00 178.44 179.52 1p1b h ALA 53 N 0.91 0.17 -0.86 1.53 0.00 -1.17 -0.80 119.26 119.04 1p1b h ALA 53 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1p1b h ALA 53 Cb 0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1p1b h ALA 53 CO 0.02 -0.26 0.57 0.00 0.00 0.00 0.00 179.25 179.57 1p1b h ALA 54 N 0.92 1.42 -0.41 0.00 0.00 -0.68 -1.47 119.26 119.04 1p1b h ALA 54 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1p1b h ALA 54 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1p1b h ALA 54 CO -0.00 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.81 1p1b h ALA 55 N 1.48 0.55 0.00 0.00 0.00 -0.91 0.46 119.26 120.84 1p1b h ALA 55 Ca 0.33 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1p1b h ALA 55 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1p1b h ALA 55 CO -0.08 0.29 -0.25 0.00 0.00 0.00 0.00 179.25 179.20 1p1b h ALA 56 N 0.92 1.15 -0.08 0.00 0.00 -0.79 -2.71 119.26 117.75 1p1b h ALA 56 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1p1b h ALA 56 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1p1b h ALA 56 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1p1b n ALA 57 N -2.30 2.46 0.00 0.00 0.00 -0.58 -4.22 120.51 115.87 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 0.38 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.29 0.00 0.00 0.00 3.41 0.13 -0.72 113.62 117.73 1p1b n SER 58 Ca 0.15 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1p1b n SER 58 Cb 0.58 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.23 -0.63 0.00 4.33 5.12 -1.26 -5.10 116.66 117.90 1p1b n ARG 59 Ca 0.00 -0.44 0.00 0.00 -1.93 0.00 0.00 57.85 55.48 1p1b n ARG 59 Cb 0.02 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 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 -0.02 0.98 7.00 -0.13 0.00 0.10 -4.92 105.19 108.21 1p1b n GLY 60 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.08 3.68 -0.02 0.00 -1.26 -4.62 105.19 105.05 1p1b n GLY 61 Ca 0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 4.14 -0.12 1.61 3.52 -1.26 0.12 118.95 126.95 1p1b s ARG 62 Ca 0.00 -0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 1p1b s ARG 62 Cb 0.00 -3.51 -0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1p1b s ARG 62 CO 0.00 0.07 -0.19 0.08 -0.81 0.00 0.00 175.30 174.46 1p1b s VAL 63 N 1.00 2.48 -0.24 7.11 1.01 0.16 -0.40 120.40 131.52 1p1b s VAL 63 Ca 0.12 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1p1b s VAL 63 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1p1b s VAL 63 CO 0.05 0.54 0.10 -0.22 0.00 0.00 0.00 175.10 175.57 1p1b s LEU 64 N 0.48 3.73 -0.11 3.92 2.96 -0.02 -0.61 118.68 129.02 1p1b s LEU 64 Ca -0.13 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1p1b s LEU 64 Cb -0.17 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1p1b s LEU 64 CO 0.05 0.03 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.19 1p1b s GLU 65 N 1.24 2.88 -0.39 1.98 2.12 0.91 -0.22 118.70 127.22 1p1b s GLU 65 Ca 0.05 -0.81 -0.14 0.00 0.36 0.00 0.00 54.97 54.43 1p1b s GLU 65 Cb -0.14 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 31.99 1p1b s GLU 65 CO 0.04 0.07 0.28 0.08 -0.54 0.00 0.00 175.26 175.20 1p1b s VAL 66 N 0.61 5.27 0.00 3.70 1.01 -0.48 -0.88 120.40 129.63 1p1b s VAL 66 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1p1b s VAL 66 Cb -0.17 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1p1b s VAL 66 CO 0.03 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1p1b n GLY 67 N 5.14 -0.22 0.12 4.51 0.00 0.18 -4.21 105.19 110.71 1p1b n GLY 67 Ca -0.12 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 0.47 0.00 1.61 -0.00 -1.89 -3.48 116.94 113.66 1p1b h PHE 68 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.97 57.63 1p1b h PHE 68 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 35.93 1p1b h PHE 68 CO 0.00 1.43 0.00 0.41 -0.00 0.00 0.00 178.31 180.15 1p1b n GLY 69 N 1.69 3.64 1.39 2.40 0.00 -1.26 -1.87 105.19 111.18 1p1b n GLY 69 Ca -0.20 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 14.00 2.98 -1.53 1.61 0.00 -1.26 -4.95 117.12 127.97 1p1b n MET 70 Ca 0.00 -2.61 -0.18 0.00 0.00 0.00 0.00 57.70 54.91 1p1b n MET 70 Cb 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 33.22 31.48 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 1.39 -0.28 0.07 3.04 0.00 -0.78 -4.89 120.51 119.07 1p1b n ALA 71 Ca 0.24 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.84 1p1b n ALA 71 Cb 0.69 -1.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.22 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 1.00 -0.06 0.00 1.08 -1.93 -1.55 117.51 116.05 1p1b h ILE 72 Ca -0.37 -0.36 -0.19 0.00 -0.39 0.00 0.00 64.86 63.55 1p1b h ILE 72 Cb 1.17 1.22 0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1p1b h ILE 72 CO 0.53 0.09 -0.72 0.00 -0.69 0.00 0.00 178.15 177.36 1p1b h ALA 73 N 0.58 0.17 0.00 1.87 0.00 -1.90 -3.21 119.26 116.77 1p1b h ALA 73 Ca -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1p1b h ALA 73 Cb 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p1b h ALA 73 CO 0.02 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 1p1b h ALA 74 N 0.43 1.66 0.05 0.00 0.00 -1.88 -0.77 119.26 118.75 1p1b h ALA 74 Ca -0.07 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1p1b h ALA 74 Cb 1.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1p1b h ALA 74 CO 0.15 0.03 -1.12 0.77 0.00 0.00 0.00 179.25 179.07 1p1b h SER 75 N 0.00 0.17 -0.25 0.00 0.02 -1.32 -2.41 113.55 109.76 1p1b h SER 75 Ca -0.00 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.58 1p1b h SER 75 Cb 0.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1p1b h SER 75 CO 0.00 1.14 -0.59 -0.09 -1.14 0.00 0.00 176.83 176.16 1p1b h ARG 76 N 0.03 0.84 -0.26 3.45 9.65 -1.33 -2.90 114.38 123.86 1p1b h ARG 76 Ca -0.07 -0.57 0.02 0.00 -1.10 0.00 0.00 59.98 58.26 1p1b h ARG 76 Cb 1.86 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 30.49 1p1b h ARG 76 CO 0.16 1.20 0.11 0.28 2.80 0.00 0.00 179.97 184.52 1p1b h VAL 77 N 0.61 0.97 -0.01 0.20 2.07 -1.21 -1.18 116.25 117.70 1p1b h VAL 77 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1p1b h VAL 77 Cb 1.20 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1p1b h VAL 77 CO 0.13 0.04 0.05 1.56 0.02 0.00 0.00 177.57 179.37 1p1b h GLN 78 N 0.25 0.00 -1.20 1.57 1.08 -1.32 -2.03 115.11 113.46 1p1b h GLN 78 Ca 0.11 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.61 1p1b h GLN 78 Cb 0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.20 1p1b h GLN 78 CO -0.09 0.00 0.91 0.00 -0.95 0.00 0.00 178.83 178.70 1p1b n GLN 79 N -3.18 2.71 -4.25 1.46 10.64 -0.44 -4.73 117.38 119.59 1p1b n GLN 79 Ca -0.03 -3.34 -0.16 0.00 -1.83 0.00 0.00 57.00 51.64 1p1b n GLN 79 Cb 0.12 -2.29 -0.11 0.00 -0.86 0.00 0.00 30.24 27.11 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 -3.88 1.49 -0.10 2.61 0.00 -0.76 -5.01 121.76 116.10 1p1b s ALA 80 Ca 0.62 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1p1b s ALA 80 Cb 0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.52 1p1b s ALA 80 CO -0.09 0.01 1.56 -2.30 0.00 0.00 0.00 175.76 174.94 1p1b n PRO 81 N 0.18 0.77 -1.94 0.00 -0.02 -1.26 -4.84 135.00 127.90 1p1b n PRO 81 Ca -0.13 -0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 60.58 1p1b n PRO 81 Cb 0.59 -1.78 0.02 0.00 -0.02 0.00 0.00 33.50 32.31 1p1b n PRO 81 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1p1b s ILE 82 N 2.66 4.28 -0.06 4.25 1.10 -1.26 -4.19 121.20 127.98 1p1b s ILE 82 Ca 0.22 0.68 -0.07 0.00 -0.51 0.00 0.00 60.65 60.97 1p1b s ILE 82 Cb 0.10 -3.73 -0.02 0.00 0.15 0.00 0.00 42.46 38.96 1p1b s ILE 82 CO -0.00 -0.94 -0.13 1.17 -2.11 0.00 0.00 174.94 172.93 1p1b n LYS 83 N -2.80 0.20 -4.38 3.50 4.81 0.31 -4.73 118.16 115.07 1p1b n LYS 83 Ca 0.06 0.08 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 1p1b n LYS 83 Cb 0.55 -0.83 -0.13 0.00 0.02 0.00 0.00 35.03 34.64 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 -1.73 1.08 -0.36 1.64 2.02 -0.26 -3.88 118.70 117.22 1p1b s GLU 84 Ca -0.11 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 53.97 1p1b s GLU 84 Cb 0.01 -1.19 0.10 0.00 0.10 0.00 0.00 34.13 33.16 1p1b s GLU 84 CO 0.16 0.29 0.09 -1.58 0.02 0.00 0.00 175.26 174.23 1p1b s HIS 85 N -0.99 3.38 -0.26 1.61 2.46 0.15 -0.66 115.29 120.97 1p1b s HIS 85 Ca 0.04 -2.85 -0.16 0.00 0.47 0.00 0.00 55.06 52.56 1p1b s HIS 85 Cb -0.09 -2.73 -0.03 0.00 -0.13 0.00 0.00 32.58 29.60 1p1b s HIS 85 CO 0.02 -0.91 0.44 -1.58 -2.47 0.00 0.00 174.74 170.24 1p1b s TRP 86 N 0.84 3.26 -0.08 3.88 0.52 0.22 0.27 118.94 127.85 1p1b s TRP 86 Ca 0.12 0.52 0.02 0.00 0.02 0.00 0.00 56.10 56.78 1p1b s TRP 86 Cb -0.20 -2.63 0.02 0.00 -1.15 0.00 0.00 33.47 29.50 1p1b s TRP 86 CO -0.09 -0.24 -0.12 -1.50 0.02 0.00 0.00 176.95 175.02 1p1b s ILE 87 N 2.13 1.20 0.01 2.03 1.10 -1.07 -0.06 121.20 126.54 1p1b s ILE 87 Ca 0.18 -0.48 -0.16 0.00 -0.51 0.00 0.00 60.65 59.68 1p1b s ILE 87 Cb -0.16 -1.11 -0.06 0.00 0.15 0.00 0.00 42.46 41.28 1p1b s ILE 87 CO 0.09 0.38 0.45 -0.63 -2.11 0.00 0.00 174.94 173.12 1p1b s ILE 88 N 0.90 4.96 -0.18 2.00 1.01 -0.05 -1.79 121.20 128.05 1p1b s ILE 88 Ca -0.10 0.94 -0.14 0.00 0.00 0.00 0.00 60.65 61.36 1p1b s ILE 88 Cb -0.15 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1p1b s ILE 88 CO 0.01 0.56 0.46 -0.70 0.00 0.00 0.00 174.94 175.27 1p1b s GLU 89 N -1.02 0.50 -0.11 2.79 2.56 -0.86 0.48 118.70 123.03 1p1b s GLU 89 Ca 0.25 0.72 0.16 0.00 0.00 0.00 0.00 54.97 56.11 1p1b s GLU 89 Cb -0.17 0.16 -0.24 0.00 2.00 0.00 0.00 34.13 35.88 1p1b s GLU 89 CO 0.15 -0.10 0.19 0.00 -0.56 0.00 0.00 175.26 174.94 1p1b s ASN 91 N -4.69 7.03 0.21 0.00 3.84 -1.26 -4.58 114.94 115.49 1p1b s ASN 91 Ca -0.08 1.98 -0.09 0.00 0.21 0.00 0.00 52.86 54.88 1p1b s ASN 91 Cb 0.08 -2.57 0.16 0.00 -0.55 0.00 0.00 41.25 38.36 1p1b s ASN 91 CO 0.72 -0.54 1.83 0.44 -2.79 0.00 0.00 177.10 176.75 1p1b h ASP 92 N 7.14 0.97 -0.44 -4.21 3.32 -1.98 0.50 116.42 121.71 1p1b h ASP 92 Ca -0.39 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 1p1b h ASP 92 Cb 1.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1p1b h ASP 92 CO 0.85 0.79 0.01 1.23 -1.72 0.00 0.00 179.24 180.39 1p1b h GLY 93 N 1.08 0.84 1.89 2.75 0.00 -2.01 -2.61 103.07 105.01 1p1b h GLY 93 Ca 0.27 -0.62 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 1p1b h GLY 93 CO -0.04 0.57 -0.85 -2.08 0.00 0.00 0.00 176.54 174.14 1p1b h VAL 94 N 0.62 1.54 0.00 4.60 2.07 -1.92 -3.14 116.25 120.03 1p1b h VAL 94 Ca 0.13 -2.70 -0.07 0.00 0.82 0.00 0.00 66.70 64.88 1p1b h VAL 94 Cb 0.49 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1p1b h VAL 94 CO 0.02 0.78 -0.31 0.15 0.02 0.00 0.00 177.57 178.23 1p1b h PHE 95 N 0.05 0.00 0.04 1.57 3.04 0.12 0.14 116.94 121.91 1p1b h PHE 95 Ca -0.03 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.69 1p1b h PHE 95 Cb 1.48 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.99 1p1b h PHE 95 CO 0.01 0.31 -1.03 0.37 -2.02 0.00 0.00 178.31 175.96 1p1b h GLN 96 N 0.00 0.34 -0.64 1.11 4.15 -1.48 0.04 115.11 118.62 1p1b h GLN 96 Ca -0.00 -0.42 -0.06 0.00 0.77 0.00 0.00 58.65 58.94 1p1b h GLN 96 Cb 0.65 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 1p1b h GLN 96 CO 0.04 1.12 0.16 0.00 -1.93 0.00 0.00 178.83 178.22 1p1b h ARG 97 N 0.16 1.02 0.35 1.69 3.08 -1.39 -2.29 114.38 117.01 1p1b h ARG 97 Ca -0.09 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1p1b h ARG 97 Cb 1.69 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1p1b h ARG 97 CO 0.17 0.92 -0.17 1.25 -1.07 0.00 0.00 179.97 181.07 1p1b h LEU 98 N 0.94 -0.40 -0.78 3.04 5.85 -0.59 -1.35 115.31 122.01 1p1b h LEU 98 Ca 0.20 -0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.08 1p1b h LEU 98 Cb 0.35 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 1p1b h LEU 98 CO 0.00 -0.23 0.14 1.56 -0.34 0.00 0.00 178.44 179.57 1p1b h GLN 99 N -0.53 0.20 -0.17 1.25 4.20 -0.76 0.10 115.11 119.39 1p1b h GLN 99 Ca -0.05 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1p1b h GLN 99 Cb 0.40 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1p1b h GLN 99 CO 0.08 0.13 -0.43 -0.91 -0.67 0.00 0.00 178.83 177.03 1p1b h ASN 100 N 0.20 0.67 -0.53 1.46 2.35 -1.32 -3.24 115.58 115.17 1p1b h ASN 100 Ca 0.45 -0.58 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1p1b h ASN 100 Cb 0.83 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 1p1b h ASN 100 CO -0.60 1.12 0.29 -0.25 -1.65 0.00 0.00 177.43 176.34 1p1b h TRP 101 N 0.24 0.53 -0.68 1.19 7.01 -0.49 -2.44 115.95 121.32 1p1b h TRP 101 Ca -0.01 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.15 1p1b h TRP 101 Cb 1.04 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.89 1p1b h TRP 101 CO 0.10 0.28 0.46 0.00 -2.79 0.00 0.00 178.44 176.48 1p1b h ALA 102 N 1.27 2.17 0.00 2.65 0.00 -0.85 -1.67 119.26 122.83 1p1b h ALA 102 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p1b h ALA 102 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p1b h ALA 102 CO -0.14 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.04 1p1b n LEU 103 N -4.46 0.00 0.00 0.00 7.99 -0.92 -3.05 117.00 116.57 1p1b n LEU 103 Ca 0.13 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.42 1p1b n LEU 103 Cb 0.51 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1p1b n LEU 103 CO 0.34 -0.13 0.31 2.29 -1.51 0.00 0.00 177.39 178.69 1p1b n LYS 104 N -1.30 0.82 -2.61 3.23 2.85 -0.63 -5.06 118.16 115.46 1p1b n LYS 104 Ca 0.08 -0.82 -0.36 0.00 -1.05 0.00 0.00 58.31 56.16 1p1b n LYS 104 Cb 0.14 -0.86 -0.05 0.00 -0.65 0.00 0.00 35.03 33.60 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 -0.39 4.17 0.00 -1.58 -1.52 -1.17 -4.96 119.66 114.21 1p1b s GLN 105 Ca 0.00 1.41 0.20 0.00 -1.95 0.00 0.00 55.36 55.02 1p1b s GLN 105 Cb 0.00 -2.45 0.92 0.00 -0.22 0.00 0.00 33.01 31.26 1p1b s GLN 105 CO 0.00 -0.12 1.65 -0.35 -0.25 0.00 0.00 175.29 176.23 1p1b n PRO 106 N -0.21 0.09 -3.85 2.91 -0.04 -1.26 -4.66 135.00 127.97 1p1b n PRO 106 Ca 0.06 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1p1b n PRO 106 Cb 0.51 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.87 0.69 -0.20 0.54 3.76 -1.26 -5.08 115.29 110.87 1p1b s HIS 107 Ca 0.13 -0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 54.71 1p1b s HIS 107 Cb 0.13 -0.77 -0.07 0.00 1.11 0.00 0.00 32.58 32.99 1p1b s HIS 107 CO 0.35 -0.30 0.76 1.17 -0.85 0.00 0.00 174.74 175.88 1p1b n LYS 108 N 4.88 0.00 -3.73 1.40 4.81 -1.25 -4.40 118.16 119.87 1p1b n LYS 108 Ca -0.12 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.96 1p1b n LYS 108 Cb 0.50 -0.51 -0.06 0.00 0.02 0.00 0.00 35.03 34.97 1p1b n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1p1b s VAL 109 N 2.21 5.37 -0.53 3.15 1.01 -1.26 0.32 120.40 130.66 1p1b s VAL 109 Ca 0.42 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1p1b s VAL 109 Cb -0.50 -3.51 0.14 0.00 0.00 0.00 0.00 36.38 32.51 1p1b s VAL 109 CO 0.22 0.55 0.29 -0.69 0.00 0.00 0.00 175.10 175.46 1p1b s VAL 110 N -0.57 2.47 0.16 2.92 1.01 0.14 -4.91 120.40 121.62 1p1b s VAL 110 Ca 0.16 -3.35 -0.30 0.00 0.00 0.00 0.00 61.98 58.48 1p1b s VAL 110 Cb -0.13 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 1p1b s VAL 110 CO 0.05 -0.84 1.31 -2.84 0.00 0.00 0.00 175.10 172.78 1p1b s PRO 111 N -0.37 4.38 -0.29 2.72 0.02 -1.26 -2.60 135.00 137.60 1p1b s PRO 111 Ca 0.18 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.24 1p1b s PRO 111 Cb -0.23 -3.23 0.08 0.00 0.02 0.00 0.00 34.50 31.15 1p1b s PRO 111 CO -0.02 -0.29 0.00 -0.51 -0.33 0.00 0.00 177.00 175.85 1p1b s LEU 112 N 0.31 3.35 0.19 -5.54 1.02 -0.74 -4.96 118.68 112.31 1p1b s LEU 112 Ca 0.59 -1.62 -0.30 0.00 0.02 0.00 0.00 54.13 52.82 1p1b s LEU 112 Cb -0.36 -1.32 -0.08 0.00 0.02 0.00 0.00 46.19 44.46 1p1b s LEU 112 CO 0.35 -0.31 1.09 -0.75 0.02 0.00 0.00 176.35 176.75 1p1b s LYS 113 N 1.24 4.61 0.00 1.70 2.47 -1.26 -2.03 119.74 126.46 1p1b s LYS 113 Ca 0.02 1.71 0.00 0.00 -1.56 0.00 0.00 55.97 56.14 1p1b s LYS 113 Cb -0.19 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.91 1p1b s LYS 113 CO -0.10 0.11 0.00 0.41 0.16 0.00 0.00 175.35 175.93 1p1b n GLY 114 N 1.94 1.12 3.78 5.54 0.00 0.32 -4.90 105.19 112.98 1p1b n GLY 114 Ca 0.02 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 4.39 0.65 0.99 1.43 -1.26 -2.19 118.68 122.69 1p1b s LEU 115 Ca 0.00 1.80 0.42 0.00 -1.03 0.00 0.00 54.13 55.32 1p1b s LEU 115 Cb 0.00 -3.89 2.32 0.00 0.03 0.00 0.00 46.19 44.65 1p1b s LEU 115 CO 0.00 -0.02 2.35 4.11 0.23 0.00 0.00 176.35 183.03 1p1b h TRP 116 N 3.37 0.00 -0.14 0.29 5.08 -1.94 0.82 115.95 123.42 1p1b h TRP 116 Ca -0.47 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.44 1p1b h TRP 116 Cb 1.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 1p1b h TRP 116 CO 0.62 0.00 -0.19 0.93 -1.28 0.00 0.00 178.44 178.52 1p1b h GLU 117 N 0.00 0.24 0.00 0.12 3.07 -2.00 -1.61 114.58 114.40 1p1b h GLU 117 Ca 0.00 -0.07 -0.36 0.00 -0.50 0.00 0.00 59.36 58.43 1p1b h GLU 117 Cb 0.01 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.82 1p1b h GLU 117 CO -0.00 0.43 -2.37 -0.85 -1.40 0.00 0.00 179.01 174.82 1p1b n GLU 118 N -4.22 0.69 -0.03 2.33 0.28 0.07 -4.48 120.64 115.28 1p1b n GLU 118 Ca -0.01 0.10 -0.15 0.00 -0.16 0.00 0.00 57.16 56.95 1p1b n GLU 118 Cb 0.31 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.59 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 1.46 -0.78 3.84 2.07 -1.03 -3.33 116.25 118.49 1p1b h VAL 119 Ca -0.54 -1.69 0.14 0.00 0.82 0.00 0.00 66.70 65.43 1p1b h VAL 119 Cb 1.94 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 34.05 1p1b h VAL 119 CO -0.05 0.47 0.36 0.00 0.02 0.00 0.00 177.57 178.37 1p1b h ALA 120 N 0.39 1.13 0.00 1.67 0.00 -1.50 0.07 119.26 121.02 1p1b h ALA 120 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p1b h ALA 120 Cb 0.88 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1p1b h ALA 120 CO 0.05 -0.14 0.07 -2.30 0.00 0.00 0.00 179.25 176.92 1p1b n PRO 121 N -4.93 0.12 0.00 0.00 -0.02 -1.25 -0.63 135.00 128.28 1p1b n PRO 121 Ca 0.15 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 1p1b n PRO 121 Cb 0.40 -1.96 0.11 0.00 -0.02 0.00 0.00 33.50 32.03 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 -2.15 0.00 -3.13 3.45 -2.24 0.01 -4.92 114.28 105.30 1p1b n THR 122 Ca -0.01 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.23 1p1b n THR 122 Cb 0.10 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.59 4.45 0.44 3.22 1.02 0.20 -5.05 118.68 120.36 1p1b s LEU 123 Ca 0.18 1.41 -0.22 0.00 0.02 0.00 0.00 54.13 55.52 1p1b s LEU 123 Cb 0.18 -3.32 -0.10 0.00 0.02 0.00 0.00 46.19 42.97 1p1b s LEU 123 CO 0.61 0.14 1.00 -2.16 0.02 0.00 0.00 176.35 175.96 1p1b s PRO 124 N -1.56 4.09 0.76 1.29 0.04 -1.26 -5.02 135.00 133.34 1p1b s PRO 124 Ca 0.37 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 1p1b s PRO 124 Cb -0.19 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1p1b s PRO 124 CO 0.22 -0.17 0.45 -0.25 0.04 0.00 0.00 177.00 177.29 1p1b n ASP 125 N -0.55 -1.54 -3.64 6.66 9.92 -1.26 -2.81 116.55 123.33 1p1b n ASP 125 Ca 0.07 0.54 -0.20 0.00 -0.53 0.00 0.00 54.79 54.67 1p1b n ASP 125 Cb 0.52 -1.19 -0.06 0.00 -0.64 0.00 0.00 41.12 39.75 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 1.70 -0.10 0.02 0.44 0.00 0.60 -4.79 105.19 103.06 1p1b n GLY 126 Ca 0.09 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.23 0.17 -4.58 1.61 -0.00 -0.48 -4.41 115.22 104.31 1p1b n HIS 127 Ca -0.20 0.05 -0.28 0.00 -0.00 0.00 0.00 57.72 57.29 1p1b n HIS 127 Cb 0.43 -0.35 -0.14 0.00 -0.00 0.00 0.00 29.99 29.93 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 -3.19 2.19 -0.33 1.57 0.08 -0.11 -4.81 117.98 113.37 1p1b s PHE 128 Ca 0.03 -0.40 0.23 0.00 0.12 0.00 0.00 56.93 56.92 1p1b s PHE 128 Cb 0.15 -1.24 0.13 0.00 -0.57 0.00 0.00 43.02 41.49 1p1b s PHE 128 CO 0.82 0.22 1.22 -0.44 -0.10 0.00 0.00 175.22 176.95 1p1b h ASP 129 N 4.33 0.00 -4.65 1.36 3.32 -0.99 -0.52 116.42 119.27 1p1b h ASP 129 Ca -0.48 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 1p1b h ASP 129 Cb 1.16 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.51 1p1b h ASP 129 CO 0.41 0.01 0.21 -0.83 -1.72 0.00 0.00 179.24 177.33 1p1b s GLY 130 N -4.25 -0.53 -0.00 2.75 0.00 -1.16 -0.97 107.32 103.16 1p1b s GLY 130 Ca 0.02 1.57 0.05 0.00 0.00 0.00 0.00 44.72 46.36 1p1b s GLY 130 CO 0.75 1.16 -0.15 -0.42 0.00 0.00 0.00 173.10 174.44 1p1b s ILE 131 N -0.80 1.20 -0.15 0.90 1.01 0.28 -0.84 121.20 122.79 1p1b s ILE 131 Ca -0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 1p1b s ILE 131 Cb -0.01 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1p1b s ILE 131 CO 0.07 0.29 -0.08 -0.22 0.00 0.00 0.00 174.94 175.01 1p1b s LEU 132 N -0.47 1.56 -0.36 2.97 2.96 0.69 -1.14 118.68 124.88 1p1b s LEU 132 Ca 0.05 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1p1b s LEU 132 Cb -0.06 -0.96 0.11 0.00 0.50 0.00 0.00 46.19 45.78 1p1b s LEU 132 CO -0.00 -0.14 0.11 -0.47 -1.32 0.00 0.00 176.35 174.53 1p1b s TYR 133 N 1.61 2.63 -0.88 5.38 6.04 -0.73 -1.39 117.35 130.01 1p1b s TYR 133 Ca 0.02 -2.42 -0.17 0.00 0.04 0.00 0.00 57.07 54.54 1p1b s TYR 133 Cb -0.14 -2.28 0.16 0.00 -1.04 0.00 0.00 41.96 38.66 1p1b s TYR 133 CO -0.08 -0.88 0.98 0.34 -1.54 0.00 0.00 175.55 174.37 1p1b s ASP 134 N 1.03 6.67 0.26 4.32 2.15 -1.26 -1.78 116.67 128.05 1p1b s ASP 134 Ca 0.12 -2.27 -0.30 0.00 0.43 0.00 0.00 52.55 50.54 1p1b s ASP 134 Cb -0.20 -2.33 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1p1b s ASP 134 CO -0.13 -0.88 1.14 0.28 -0.17 0.00 0.00 175.17 175.40 1p1b s THR 135 N 1.75 3.46 -0.38 1.71 -1.32 -0.44 -4.95 115.64 115.48 1p1b s THR 135 Ca 0.27 1.40 0.04 0.00 -1.21 0.00 0.00 61.69 62.18 1p1b s THR 135 Cb -0.07 -3.89 0.11 0.00 -1.51 0.00 0.00 72.50 67.13 1p1b s THR 135 CO -0.09 0.30 0.10 -0.31 -2.21 0.00 0.00 174.62 172.42 1p1b s TYR 136 N -0.86 3.42 0.67 9.09 4.12 -1.26 -4.58 117.35 127.94 1p1b s TYR 136 Ca 0.47 -2.92 -0.17 0.00 0.02 0.00 0.00 57.07 54.47 1p1b s TYR 136 Cb -0.33 -2.77 -0.02 0.00 -1.52 0.00 0.00 41.96 37.32 1p1b s TYR 136 CO 0.41 -0.90 0.93 -0.35 0.02 0.00 0.00 175.55 175.66 1p1b n PRO 137 N 4.05 0.67 -0.06 -1.71 -0.04 -1.26 -4.99 135.00 131.66 1p1b n PRO 137 Ca 0.04 0.28 -0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1p1b n PRO 137 Cb 0.40 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 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 -1.15 1.45 -5.01 1.53 4.77 -1.26 -5.01 117.00 112.31 1p1b n LEU 138 Ca 0.13 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.41 1p1b n LEU 138 Cb 0.49 -0.76 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1p1b n LEU 138 CO 0.49 -0.44 0.16 -0.94 -1.33 0.00 0.00 177.39 175.33 1p1b s SER 139 N -5.32 5.63 0.08 -1.43 1.04 -1.26 -5.00 113.70 107.44 1p1b s SER 139 Ca -0.15 -0.43 0.24 0.00 0.48 0.00 0.00 55.95 56.09 1p1b s SER 139 Cb 0.02 -0.62 0.31 0.00 0.10 0.00 0.00 66.02 65.82 1p1b s SER 139 CO 0.22 -0.79 1.27 -1.84 0.98 0.00 0.00 173.24 173.08 1p1b n GLU 140 N -1.87 0.25 -1.20 4.02 0.28 -1.26 -2.24 120.64 118.61 1p1b n GLU 140 Ca 0.08 0.05 -0.28 0.00 -0.16 0.00 0.00 57.16 56.86 1p1b n GLU 140 Cb 0.59 -1.64 0.11 0.00 1.43 0.00 0.00 31.44 31.94 1p1b n GLU 140 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1p1b n GLU 141 N -1.98 2.37 0.00 3.44 0.28 -1.26 -3.15 120.64 120.35 1p1b n GLU 141 Ca 0.03 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.13 1p1b n GLU 141 Cb 0.42 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.16 1p1b n GLU 141 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1p1b n THR 142 N -0.84 0.00 -0.29 3.84 5.66 -1.23 -5.01 114.28 116.41 1p1b n THR 142 Ca 0.56 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.53 1p1b n THR 142 Cb 1.05 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.82 1p1b n THR 142 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 1p1b n TRP 143 N 0.00 -0.11 1.44 1.09 -0.00 -0.95 -0.36 117.44 118.55 1p1b n TRP 143 Ca 0.00 0.89 0.13 0.00 -0.00 0.00 0.00 57.50 58.52 1p1b n TRP 143 Cb 0.06 -0.69 0.49 0.00 -0.00 0.00 0.00 31.31 31.18 1p1b n TRP 143 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1p1b n HIS 144 N -4.99 0.04 0.00 5.87 8.25 -1.26 -4.27 115.22 118.85 1p1b n HIS 144 Ca 0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1p1b n HIS 144 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.23 0.00 -0.36 1.59 -2.24 -0.33 -4.88 114.28 108.29 1p1b n THR 145 Ca 0.18 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1p1b n THR 145 Cb 0.36 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 1p1b n THR 145 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1p1b h HIS 146 N 0.00 -1.32 -0.80 4.78 6.17 -0.88 -0.55 115.15 122.55 1p1b h HIS 146 Ca 0.00 0.11 0.23 0.00 0.71 0.00 0.00 60.37 61.42 1p1b h HIS 146 Cb 0.00 0.71 -0.03 0.00 2.52 0.00 0.00 27.41 30.60 1p1b h HIS 146 CO 0.00 -0.40 0.76 -0.56 0.71 0.00 0.00 177.93 178.45 1p1b h GLN 147 N -0.04 0.00 0.00 5.26 -0.00 -1.89 0.03 115.11 118.47 1p1b h GLN 147 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1p1b h GLN 147 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 1p1b h GLN 147 CO -0.93 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 179.09 1p1b n PHE 148 N -3.72 0.00 0.10 0.06 0.99 -0.22 -2.64 117.46 112.04 1p1b n PHE 148 Ca 0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.44 1p1b n PHE 148 Cb 1.04 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 39.38 1p1b n PHE 148 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1p1b h ASN 149 N 0.00 0.48 0.18 4.37 2.35 -1.14 -2.34 115.58 119.48 1p1b h ASN 149 Ca 0.00 -0.54 -0.27 0.00 -0.55 0.00 0.00 56.30 54.94 1p1b h ASN 149 Cb 0.00 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.23 1p1b h ASN 149 CO 0.00 1.43 -1.25 0.15 -1.65 0.00 0.00 177.43 176.11 1p1b h PHE 150 N 0.08 0.68 0.59 1.19 3.57 -1.71 -2.98 116.94 118.37 1p1b h PHE 150 Ca -0.17 -0.50 -0.03 0.00 3.53 0.00 0.00 57.97 60.80 1p1b h PHE 150 Cb 2.01 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.73 1p1b h PHE 150 CO 0.07 1.48 -0.28 0.82 -2.23 0.00 0.00 178.31 178.17 1p1b h ILE 151 N -0.15 0.40 -0.94 1.41 2.04 -1.62 0.60 117.51 119.26 1p1b h ILE 151 Ca -0.23 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1p1b h ILE 151 Cb 1.88 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 1p1b h ILE 151 CO 0.18 0.02 0.62 0.11 0.00 0.00 0.00 178.15 179.07 1p1b h LYS 152 N -0.86 1.22 0.20 2.37 1.57 -1.58 -2.55 116.57 116.94 1p1b h LYS 152 Ca -0.08 -0.07 -0.34 0.00 -1.87 0.00 0.00 60.65 58.29 1p1b h LYS 152 Cb 0.63 -0.27 0.02 0.00 0.08 0.00 0.00 32.23 32.69 1p1b h LYS 152 CO 0.13 0.81 -1.59 1.15 -0.57 0.00 0.00 179.45 179.38 1p1b h THR 153 N 1.26 1.14 0.00 -0.16 2.02 -1.44 -3.44 112.91 112.28 1p1b h THR 153 Ca 0.35 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1p1b h THR 153 Cb -0.12 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1p1b h THR 153 CO -0.08 0.84 -0.98 1.41 0.37 0.00 0.00 175.52 177.07 1p1b n HIS 154 N -3.62 0.00 -0.05 3.16 8.25 0.20 -4.73 115.22 118.43 1p1b n HIS 154 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.13 1p1b n HIS 154 Cb 1.08 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.11 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 -0.71 -0.41 -1.41 0.00 -0.89 0.70 119.26 116.55 1p1b h ALA 155 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1p1b h ALA 155 Cb 0.98 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 1p1b h ALA 155 CO 0.00 -1.00 0.06 0.35 0.00 0.00 0.00 179.25 178.66 1p1b h PHE 156 N -0.48 0.08 -0.01 0.00 3.04 -1.82 -2.80 116.94 114.96 1p1b h PHE 156 Ca 0.07 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.90 1p1b h PHE 156 Cb 0.64 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 1p1b h PHE 156 CO -0.60 -0.02 -0.69 0.07 -2.02 0.00 0.00 178.31 175.05 1p1b h ARG 157 N 0.18 0.05 0.00 1.11 0.11 -1.80 -3.22 114.38 110.81 1p1b h ARG 157 Ca 0.20 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.24 1p1b h ARG 157 Cb 0.26 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1p1b h ARG 157 CO -0.28 0.72 0.00 1.28 0.10 0.00 0.00 179.97 181.79 1p1b n LEU 158 N -3.74 0.22 -4.80 0.08 4.77 0.22 0.22 117.00 113.97 1p1b n LEU 158 Ca -0.01 0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 56.11 1p1b n LEU 158 Cb 0.68 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1p1b n LEU 158 CO 0.44 -0.15 0.29 -0.76 -1.33 0.00 0.00 177.39 175.87 1p1b s LEU 159 N -3.43 4.52 0.54 2.23 1.43 -1.08 -0.93 118.68 121.96 1p1b s LEU 159 Ca 0.11 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1p1b s LEU 159 Cb 0.14 -2.93 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 1p1b s LEU 159 CO 0.46 0.26 1.00 -0.54 0.23 0.00 0.00 176.35 177.76 1p1b s LYS 160 N -1.03 3.83 0.26 1.70 1.02 -0.20 -4.10 119.74 121.22 1p1b s LYS 160 Ca 0.30 0.92 -0.31 0.00 0.02 0.00 0.00 55.97 56.90 1p1b s LYS 160 Cb -0.20 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 34.87 1p1b s LYS 160 CO 0.19 -0.37 1.56 -2.30 -0.92 0.00 0.00 175.35 173.51 1p1b n PRO 161 N -1.87 2.48 -0.05 -1.68 -0.02 -1.26 0.37 135.00 132.98 1p1b n PRO 161 Ca 0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1p1b n PRO 161 Cb 0.54 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 2.45 1.60 3.72 -1.23 0.00 0.32 -4.99 105.19 107.07 1p1b n GLY 162 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.96 2.11 -0.07 -0.02 0.00 0.16 -4.59 107.32 102.94 1p1b s GLY 163 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.49 1p1b s GLY 163 CO 0.00 1.13 -0.18 -1.50 0.00 0.00 0.00 173.10 172.55 1p1b s ILE 164 N -2.26 2.68 -0.17 0.90 2.07 -0.14 -0.61 121.20 123.67 1p1b s ILE 164 Ca 0.71 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1p1b s ILE 164 Cb -0.26 -2.04 0.01 0.00 0.13 0.00 0.00 42.46 40.30 1p1b s ILE 164 CO 0.49 0.57 -0.18 -0.22 -1.91 0.00 0.00 174.94 173.69 1p1b s LEU 165 N -0.31 2.29 0.06 8.50 2.96 0.38 -0.56 118.68 131.99 1p1b s LEU 165 Ca 0.02 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.44 1p1b s LEU 165 Cb -0.13 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1p1b s LEU 165 CO 0.02 0.04 -0.21 0.28 -1.32 0.00 0.00 176.35 175.17 1p1b s THR 166 N 1.05 1.71 0.34 3.68 -1.32 -0.29 -1.82 115.64 118.99 1p1b s THR 166 Ca -0.01 -1.31 -0.10 0.00 -1.21 0.00 0.00 61.69 59.06 1p1b s THR 166 Cb -0.14 -1.51 0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1p1b s THR 166 CO -0.06 0.14 0.62 0.00 -2.21 0.00 0.00 174.62 173.12 1p1b n TYR 167 N 1.62 -1.97 -3.61 9.09 4.11 -1.26 -1.78 117.16 123.34 1p1b n TYR 167 Ca -0.18 -1.76 -0.05 0.00 -0.00 0.00 0.00 57.90 55.91 1p1b n TYR 167 Cb 0.53 0.73 -0.04 0.00 -0.00 0.00 0.00 39.34 40.56 1p1b n TYR 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1p1b n ASN 169 N 0.56 0.22 -0.21 0.00 2.85 -1.26 -1.33 115.26 116.10 1p1b n ASN 169 Ca -0.04 -2.57 -0.00 0.00 -0.11 0.00 0.00 54.58 51.86 1p1b n ASN 169 Cb 0.58 -0.60 0.11 0.00 1.24 0.00 0.00 39.78 41.11 1p1b n ASN 169 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1p1b h LEU 170 N 5.31 0.28 -1.14 1.20 4.07 -1.98 -0.13 115.31 122.93 1p1b h LEU 170 Ca 0.22 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.20 1p1b h LEU 170 Cb 0.88 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1p1b h LEU 170 CO 0.45 0.17 0.09 0.71 -1.08 0.00 0.00 178.44 178.78 1p1b h THR 171 N 0.45 1.21 -0.10 0.22 1.35 -1.91 0.62 112.91 114.75 1p1b h THR 171 Ca 0.30 -0.76 -0.08 0.00 -0.55 0.00 0.00 66.41 65.32 1p1b h THR 171 Cb 0.35 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1p1b h THR 171 CO -0.28 0.28 -0.25 -1.28 -0.25 0.00 0.00 175.52 173.73 1p1b h SER 172 N 0.68 0.40 0.47 5.36 0.87 -1.77 -2.12 113.55 117.43 1p1b h SER 172 Ca 0.15 -0.59 -0.04 0.00 -1.23 0.00 0.00 61.79 60.08 1p1b h SER 172 Cb 0.28 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1p1b h SER 172 CO 0.00 0.91 -0.21 -0.50 -0.53 0.00 0.00 176.83 176.50 1p1b h TRP 173 N -0.10 0.00 -0.02 2.24 6.55 -0.67 -0.09 115.95 123.86 1p1b h TRP 173 Ca -0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 1p1b h TRP 173 Cb 0.86 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.15 1p1b h TRP 173 CO 0.11 0.21 -0.73 0.78 -1.05 0.00 0.00 178.44 177.76 1p1b h GLY 174 N 1.15 0.17 0.41 1.49 0.00 0.34 -1.17 103.07 105.46 1p1b h GLY 174 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1p1b h GLY 174 CO 0.03 0.23 -0.12 -2.09 0.00 0.00 0.00 176.54 174.59 1p1b h GLU 175 N 0.10 -0.32 -0.89 4.80 4.81 -0.59 -3.04 114.58 119.45 1p1b h GLU 175 Ca -0.02 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1p1b h GLU 175 Cb 1.29 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 1p1b h GLU 175 CO 0.11 0.02 0.58 -0.07 -0.73 0.00 0.00 179.01 178.92 1p1b h LEU 176 N -0.93 0.85 -0.09 1.64 4.07 -1.10 -1.45 115.31 118.31 1p1b h LEU 176 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1p1b h LEU 176 Cb 0.49 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1p1b h LEU 176 CO 0.06 0.53 -0.06 0.23 -1.08 0.00 0.00 178.44 178.12 1p1b n MET 177 N -4.51 0.51 0.02 1.13 2.81 -0.44 -1.38 117.12 115.25 1p1b n MET 177 Ca 0.14 -0.09 -0.22 0.00 -1.81 0.00 0.00 57.70 55.73 1p1b n MET 177 Cb 0.25 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.12 1p1b n MET 177 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1p1b h LYS 178 N 0.21 0.28 0.00 0.03 3.64 -1.14 -3.44 116.57 116.16 1p1b h LYS 178 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1p1b h LYS 178 Cb 0.32 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1p1b h LYS 178 CO 0.00 1.23 0.00 -1.13 -2.27 0.00 0.00 179.45 177.28 1p1b n SER 179 N -3.69 0.00 -0.25 4.20 3.41 -1.13 -4.90 113.62 111.27 1p1b n SER 179 Ca -0.28 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.37 1p1b n SER 179 Cb 1.00 -0.08 0.15 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.11 -6.34 4.33 1.79 -1.75 -3.45 116.57 111.25 1p1b h LYS 180 Ca 0.00 -0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.84 1p1b h LYS 180 Cb 0.00 -0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 30.48 1p1b h LYS 180 CO 0.00 0.07 -0.77 0.71 -1.08 0.00 0.00 179.45 178.38 1p1b s TYR 181 N -6.12 2.35 0.00 -1.35 1.51 -0.48 -5.02 117.35 108.24 1p1b s TYR 181 Ca -0.13 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1p1b s TYR 181 Cb 0.22 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1p1b s TYR 181 CO 0.75 0.63 0.00 0.25 -1.11 0.00 0.00 175.55 176.07 1p1b n THR 182 N -0.34 0.00 -3.93 -0.71 -2.24 -1.26 -4.53 114.28 101.27 1p1b n THR 182 Ca -0.08 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 1p1b n THR 182 Cb 0.58 0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.75 4.17 0.43 3.42 2.15 -1.26 -5.01 116.67 118.82 1p1b s ASP 183 Ca 0.00 -0.44 0.12 0.00 0.43 0.00 0.00 52.55 52.67 1p1b s ASP 183 Cb 0.00 -1.71 0.95 0.00 -0.30 0.00 0.00 42.92 41.86 1p1b s ASP 183 CO 0.00 -0.02 1.99 -0.29 -0.17 0.00 0.00 175.17 176.68 1p1b h ILE 184 N 5.75 1.12 0.00 4.11 2.10 -1.96 -2.24 117.51 126.38 1p1b h ILE 184 Ca -0.42 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 64.98 1p1b h ILE 184 Cb 1.16 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1p1b h ILE 184 CO 0.61 0.17 -0.12 0.71 -1.08 0.00 0.00 178.15 178.44 1p1b h THR 185 N 0.13 0.00 0.08 2.19 1.35 -1.99 -2.94 112.91 111.73 1p1b h THR 185 Ca 0.03 -0.71 -0.28 0.00 -0.55 0.00 0.00 66.41 64.90 1p1b h THR 185 Cb 0.26 1.64 0.03 0.00 -1.73 0.00 0.00 68.15 68.34 1p1b h THR 185 CO 0.01 0.00 -1.13 0.00 -0.25 0.00 0.00 175.52 174.16 1p1b h ALA 186 N 2.29 0.03 -0.19 6.62 0.00 -1.84 -2.25 119.26 123.91 1p1b h ALA 186 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1p1b h ALA 186 Cb 0.86 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1p1b h ALA 186 CO 0.00 0.64 -0.22 0.00 0.00 0.00 0.00 179.25 179.68 1p1b h MET 187 N 0.25 0.34 -0.37 0.00 -0.00 -1.48 -0.91 114.93 112.76 1p1b h MET 187 Ca -0.16 -0.11 -0.15 0.00 -0.00 0.00 0.00 59.70 59.28 1p1b h MET 187 Cb 1.80 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 33.37 1p1b h MET 187 CO 0.22 0.55 -0.35 0.35 -0.00 0.00 0.00 176.91 177.67 1p1b h PHE 188 N 0.31 1.01 -0.24 -0.10 3.04 -1.51 0.18 116.94 119.63 1p1b h PHE 188 Ca 0.05 -0.29 -0.01 0.00 3.98 0.00 0.00 57.97 61.70 1p1b h PHE 188 Cb 0.56 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1p1b h PHE 188 CO 0.01 1.08 0.10 1.49 -2.02 0.00 0.00 178.31 178.97 1p1b h GLU 189 N 0.70 0.35 -0.04 1.11 4.57 -0.88 0.76 114.58 121.15 1p1b h GLU 189 Ca 0.07 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1p1b h GLU 189 Cb 0.92 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1p1b h GLU 189 CO 0.08 0.39 -0.26 0.93 -1.18 0.00 0.00 179.01 178.97 1p1b h GLU 190 N 0.24 0.25 0.00 1.92 5.08 -1.11 -3.34 114.58 117.62 1p1b h GLU 190 Ca 0.08 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1p1b h GLU 190 Cb 0.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1p1b h GLU 190 CO -0.01 0.88 -1.49 0.25 -1.00 0.00 0.00 179.01 177.64 1p1b n THR 191 N -4.49 0.19 -0.06 1.13 -2.24 0.64 -4.68 114.28 104.78 1p1b n THR 191 Ca -0.09 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1p1b n THR 191 Cb 0.48 0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.27 0.30 -0.18 -0.78 1.13 0.17 -4.77 117.38 110.99 1p1b n GLN 192 Ca -0.01 0.13 -0.02 0.00 -1.94 0.00 0.00 57.00 55.15 1p1b n GLN 192 Cb 0.52 -1.01 0.04 0.00 0.11 0.00 0.00 30.24 29.91 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 -0.52 0.41 -0.82 5.09 2.07 -1.43 -2.29 116.25 118.75 1p1b h VAL 193 Ca -0.29 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.43 1p1b h VAL 193 Cb 1.15 0.41 -0.13 0.00 -1.52 0.00 0.00 31.29 31.20 1p1b h VAL 193 CO -0.18 0.00 0.22 -0.65 0.02 0.00 0.00 177.57 176.98 1p1b h PRO 194 N -0.03 0.24 -0.02 1.57 0.11 -1.83 -0.19 132.00 131.86 1p1b h PRO 194 Ca 0.26 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.18 1p1b h PRO 194 Cb 0.43 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1p1b h PRO 194 CO -0.58 0.16 -0.78 0.00 -0.21 0.00 0.00 178.00 176.59 1p1b h ALA 195 N 1.70 0.65 -0.61 -0.75 0.00 -1.73 -1.91 119.26 116.61 1p1b h ALA 195 Ca 0.49 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1p1b h ALA 195 Cb 0.92 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1p1b h ALA 195 CO -0.59 0.86 0.13 -0.07 0.00 0.00 0.00 179.25 179.59 1p1b h LEU 196 N 0.11 0.94 -0.30 0.00 4.07 -0.70 0.46 115.31 119.90 1p1b h LEU 196 Ca -0.03 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.62 1p1b h LEU 196 Cb 1.36 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1p1b h LEU 196 CO 0.12 0.94 -0.09 -0.07 -1.08 0.00 0.00 178.44 178.26 1p1b h LEU 197 N 0.90 0.60 -1.69 1.67 4.07 -1.07 -2.05 115.31 117.74 1p1b h LEU 197 Ca 0.19 -0.38 0.07 0.00 0.08 0.00 0.00 57.88 57.85 1p1b h LEU 197 Cb 0.38 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1p1b h LEU 197 CO 0.01 0.83 0.34 -0.08 -1.08 0.00 0.00 178.44 178.46 1p1b h GLU 198 N 0.35 0.36 0.00 1.13 4.81 -0.93 0.48 114.58 120.78 1p1b h GLU 198 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1p1b h GLU 198 Cb 0.58 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1p1b h GLU 198 CO 0.03 0.24 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 1p1b n ALA 199 N -2.52 1.66 0.00 2.92 0.00 0.16 -4.85 120.51 117.88 1p1b n ALA 199 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1p1b n ALA 199 Cb 0.30 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.00 2.07 3.72 0.00 0.00 0.17 -4.76 105.19 106.38 1p1b n GLY 200 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.08 0.04 1.61 0.40 -0.98 -4.97 117.98 114.16 1p1b s PHE 201 Ca 0.00 0.85 0.09 0.00 -0.60 0.00 0.00 56.93 57.27 1p1b s PHE 201 Cb 0.00 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.13 1p1b s PHE 201 CO 0.00 -2.80 -0.26 -0.65 0.70 0.00 0.00 175.22 172.21 1p1b s GLN 202 N -5.17 1.76 0.33 0.44 -1.52 -1.26 -4.29 119.66 109.96 1p1b s GLN 202 Ca 0.66 -1.09 0.15 0.00 -1.95 0.00 0.00 55.36 53.12 1p1b s GLN 202 Cb -0.16 -1.93 1.13 0.00 -0.22 0.00 0.00 33.01 31.83 1p1b s GLN 202 CO 0.56 0.50 1.48 -2.13 -0.25 0.00 0.00 175.29 175.45 1p1b n ARG 203 N 1.79 -0.06 0.28 2.91 3.00 -1.26 0.24 116.66 123.56 1p1b n ARG 203 Ca -0.17 1.33 0.18 0.00 -0.00 0.00 0.00 57.85 59.19 1p1b n ARG 203 Cb 0.52 -2.31 0.82 0.00 0.00 0.00 0.00 32.46 31.49 1p1b n ARG 203 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1p1b h GLU 204 N 0.00 0.00 0.00 -0.14 9.09 -2.00 -2.33 114.58 119.21 1p1b h GLU 204 Ca 0.74 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.15 1p1b h GLU 204 Cb 1.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.97 1p1b h GLU 204 CO -0.77 0.00 -0.05 -0.91 0.05 0.00 0.00 179.01 177.33 1p1b h ASN 205 N 0.00 0.00 -3.20 3.06 2.35 0.28 -3.45 115.58 114.63 1p1b h ASN 205 Ca 0.00 -0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 1p1b h ASN 205 Cb 0.34 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.57 1p1b h ASN 205 CO 0.00 0.00 -0.56 0.27 -1.65 0.00 0.00 177.43 175.49 1p1b s ILE 206 N -3.20 4.84 0.24 2.81 -5.25 -0.88 -1.06 121.20 118.69 1p1b s ILE 206 Ca 0.07 -0.03 0.00 0.00 -0.99 0.00 0.00 60.65 59.71 1p1b s ILE 206 Cb 0.06 -3.15 -0.05 0.00 2.95 0.00 0.00 42.46 42.28 1p1b s ILE 206 CO 0.67 0.51 0.11 0.00 -1.79 0.00 0.00 174.94 174.43 1p1b s THR 208 N -3.90 0.08 -0.21 0.00 -4.23 -1.26 -1.14 115.64 105.00 1p1b s THR 208 Ca 0.38 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1p1b s THR 208 Cb 0.08 -0.39 0.05 0.00 1.34 0.00 0.00 72.50 73.58 1p1b s THR 208 CO 0.13 -0.38 -0.05 -0.70 -0.54 0.00 0.00 174.62 173.08 1p1b s GLU 209 N -1.31 1.51 -0.09 3.99 2.12 0.02 -4.93 118.70 120.02 1p1b s GLU 209 Ca -0.14 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.26 1p1b s GLU 209 Cb -0.08 -2.35 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 1p1b s GLU 209 CO 0.01 -0.53 0.42 0.08 -0.54 0.00 0.00 175.26 174.70 1p1b s VAL 210 N 1.52 5.16 0.14 3.70 1.01 -1.26 0.02 120.40 130.69 1p1b s VAL 210 Ca -0.03 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.88 1p1b s VAL 210 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1p1b s VAL 210 CO -0.07 0.41 -0.19 0.00 0.00 0.00 0.00 175.10 175.25 1p1b s MET 211 N 0.11 1.22 -0.11 2.72 0.23 0.14 -4.96 119.30 118.65 1p1b s MET 211 Ca 0.23 -1.31 -0.24 0.00 -1.03 0.00 0.00 55.69 53.34 1p1b s MET 211 Cb -0.15 -1.36 -0.03 0.00 -1.53 0.00 0.00 34.83 31.76 1p1b s MET 211 CO 0.10 0.29 0.73 0.00 -2.03 0.00 0.00 175.02 174.11 1p1b s ALA 212 N -1.70 3.42 -0.24 3.16 0.00 -1.26 -0.34 121.76 124.80 1p1b s ALA 212 Ca 0.12 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 1p1b s ALA 212 Cb -0.07 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.11 1p1b s ALA 212 CO 0.06 -0.34 0.50 -1.17 0.00 0.00 0.00 175.76 174.81 1p1b s LEU 213 N 1.37 -0.84 -0.32 0.00 0.20 -0.19 -4.89 118.68 114.01 1p1b s LEU 213 Ca 0.37 1.16 -0.11 0.00 0.69 0.00 0.00 54.13 56.23 1p1b s LEU 213 Cb -0.17 1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 47.27 1p1b s LEU 213 CO 0.15 -0.23 0.20 -0.69 -0.29 0.00 0.00 176.35 175.49 1p1b s VAL 214 N 2.72 5.04 0.72 1.68 1.01 -1.26 -3.10 120.40 127.22 1p1b s VAL 214 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1p1b s VAL 214 Cb -0.12 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1p1b s VAL 214 CO -0.15 0.06 1.12 -2.84 0.00 0.00 0.00 175.10 173.28 1p1b s PRO 215 N 1.69 2.42 0.88 2.72 0.02 -1.26 -5.00 135.00 136.46 1p1b s PRO 215 Ca 0.06 1.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.35 1p1b s PRO 215 Cb -0.17 -1.90 0.12 0.00 0.02 0.00 0.00 34.50 32.57 1p1b s PRO 215 CO 0.09 -1.55 1.11 -2.14 -0.33 0.00 0.00 177.00 174.18 1p1b s PRO 216 N -4.36 1.39 0.52 5.54 0.02 -1.26 -4.91 135.00 131.94 1p1b s PRO 216 Ca 0.66 1.26 0.19 0.00 0.02 0.00 0.00 61.00 63.13 1p1b s PRO 216 Cb -0.21 -1.79 1.36 0.00 0.02 0.00 0.00 34.50 33.88 1p1b s PRO 216 CO 0.48 -2.28 2.15 0.00 -0.33 0.00 0.00 177.00 177.01 1p1b h ALA 217 N -1.60 1.81 -0.63 -1.55 0.00 -1.98 -2.50 119.26 112.82 1p1b h ALA 217 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1p1b h ALA 217 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p1b h ALA 217 CO 0.48 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 1p1b n ASP 218 N -4.31 4.07 -4.65 0.00 5.75 -1.26 -4.94 116.55 111.21 1p1b n ASP 218 Ca -0.03 -2.24 -0.42 0.00 -0.01 0.00 0.00 54.79 52.09 1p1b n ASP 218 Cb 0.12 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 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 10.78 0.00 -0.00 0.00 3.08 -1.91 -3.38 114.38 122.94 1p1b h ARG 220 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1p1b h ARG 220 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1p1b h ARG 220 CO 0.95 0.00 -0.01 2.48 -1.07 0.00 0.00 179.97 182.32 1p1b n TYR 221 N -2.44 0.00 -3.71 3.04 4.11 -1.26 -5.02 117.16 111.88 1p1b n TYR 221 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.82 1p1b n TYR 221 Cb 0.46 0.00 -0.13 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 -0.72 -0.36 0.00 -3.48 6.14 -1.26 -4.15 117.35 113.52 1p1b s TYR 222 Ca 0.00 0.84 0.00 0.00 0.64 0.00 0.00 57.07 58.55 1p1b s TYR 222 Cb 0.00 0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.40 1p1b s TYR 222 CO 0.01 -0.27 0.02 0.00 0.64 0.00 0.00 175.55 175.94 1p1b n ALA 223 N 4.59 1.67 -1.77 3.97 0.00 -1.26 -4.75 120.51 122.97 1p1b n ALA 223 Ca -0.19 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 1p1b n ALA 223 Cb 0.52 0.00 -0.03 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 -0.80 3.23 -2.00 0.00 5.36 -1.26 -4.84 117.98 117.68 1p1b s PHE 224 Ca 0.00 1.58 0.12 0.00 -0.96 0.00 0.00 56.93 57.66 1p1b s PHE 224 Cb 0.00 -3.40 0.70 0.00 -0.34 0.00 0.00 43.02 39.98 1p1b s PHE 224 CO 0.00 -1.14 1.34 -0.35 -1.46 0.00 0.00 175.22 173.61 1p1b n PRO 225 N 0.55 0.86 -3.83 10.12 -0.04 -1.26 -4.43 135.00 136.96 1p1b n PRO 225 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1p1b n PRO 225 Cb 0.45 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.00 0.61 0.21 0.54 -2.07 -1.18 -1.02 119.66 114.75 1p1b s GLN 226 Ca 0.18 -0.43 0.08 0.00 -1.82 0.00 0.00 55.36 53.37 1p1b s GLN 226 Cb 0.08 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 1p1b s GLN 226 CO 0.14 -0.16 0.01 -1.64 -1.32 0.00 0.00 175.29 172.31 1p1b s MET 227 N -1.79 2.39 -0.06 9.60 -1.94 0.54 -4.86 119.30 123.19 1p1b s MET 227 Ca -0.11 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 52.69 1p1b s MET 227 Cb -0.05 -2.30 -0.00 0.00 2.01 0.00 0.00 34.83 34.50 1p1b s MET 227 CO 0.00 0.42 -0.18 -1.50 -0.01 0.00 0.00 175.02 173.75 1p1b s ILE 228 N -1.96 1.53 -0.25 2.53 2.07 -1.26 0.26 121.20 124.13 1p1b s ILE 228 Ca 0.29 -0.76 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 1p1b s ILE 228 Cb -0.08 -1.33 0.02 0.00 0.13 0.00 0.00 42.46 41.20 1p1b s ILE 228 CO 0.19 0.44 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.71 1p1b s THR 229 N 0.16 2.90 0.13 4.00 2.01 0.10 -4.92 115.64 120.02 1p1b s THR 229 Ca -0.08 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 1p1b s THR 229 Cb -0.13 -2.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 1p1b s THR 229 CO 0.04 0.22 0.97 -2.84 -0.69 0.00 0.00 174.62 172.31 1p1b s PRO 230 N 1.34 4.71 -0.41 4.92 0.02 -1.26 -0.80 135.00 143.52 1p1b s PRO 230 Ca 0.01 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.53 1p1b s PRO 230 Cb -0.16 -3.36 0.12 0.00 0.02 0.00 0.00 34.50 31.11 1p1b s PRO 230 CO -0.05 0.24 0.15 -0.51 -0.33 0.00 0.00 177.00 176.51 1p1b s LEU 231 N -0.17 4.02 -0.39 -5.54 1.43 -0.29 -4.27 118.68 113.48 1p1b s LEU 231 Ca 0.46 -2.45 -0.10 0.00 -1.03 0.00 0.00 54.13 51.01 1p1b s LEU 231 Cb -0.24 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1p1b s LEU 231 CO 0.30 -0.32 0.22 -0.69 0.23 0.00 0.00 176.35 176.09 1p1b s VAL 232 N 0.50 4.32 0.01 -1.59 1.01 -0.75 -1.46 120.40 122.44 1p1b s VAL 232 Ca 0.14 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1p1b s VAL 232 Cb -0.22 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1p1b s VAL 232 CO -0.06 -0.35 0.45 -0.89 0.00 0.00 0.00 175.10 174.24 1p1b s THR 233 N 1.48 4.97 0.03 3.92 2.01 -0.22 -0.47 115.64 127.34 1p1b s THR 233 Ca 0.02 0.93 -0.20 0.00 0.31 0.00 0.00 61.69 62.74 1p1b s THR 233 Cb -0.21 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1p1b s THR 233 CO 0.04 0.57 0.60 -0.75 -0.69 0.00 0.00 174.62 174.39 1p1b s LYS 234 N -1.04 4.29 0.00 4.92 2.47 0.22 -4.72 119.74 125.88 1p1b s LYS 234 Ca 0.25 0.76 0.29 0.00 -1.56 0.00 0.00 55.97 55.70 1p1b s LYS 234 Cb -0.17 -3.31 1.71 0.00 -1.46 0.00 0.00 37.83 34.60 1p1b s LYS 234 CO 0.15 0.46 2.05 1.58 0.16 0.00 0.00 175.35 179.74