#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 -2.22 115.95 114.53 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 -2.52 3.27 -0.14 0.12 0.00 -1.26 -4.50 120.64 115.61 1p1b n GLU 45 Ca -0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 57.16 54.37 1p1b n GLU 45 Cb 0.14 -1.75 0.04 0.00 0.00 0.00 0.00 31.44 29.87 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 4.17 0.70 -0.90 3.84 2.02 -1.83 0.91 112.91 121.82 1p1b h THR 46 Ca 0.00 -0.05 0.14 0.00 0.77 0.00 0.00 66.41 67.26 1p1b h THR 46 Cb 1.24 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 1p1b h THR 46 CO 0.13 0.03 0.58 -0.65 0.37 0.00 0.00 175.52 175.98 1p1b h PRO 47 N 0.16 0.72 -0.14 6.66 0.11 -1.84 -0.18 132.00 137.48 1p1b h PRO 47 Ca 0.22 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 1p1b h PRO 47 Cb 0.30 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.26 1p1b h PRO 47 CO -0.33 0.48 -0.75 -0.92 -0.21 0.00 0.00 178.00 176.27 1p1b h TYR 48 N 0.74 1.02 -0.42 0.65 -0.00 -1.55 -2.29 116.97 115.14 1p1b h TYR 48 Ca 0.45 -0.46 0.03 0.00 -0.00 0.00 0.00 58.73 58.75 1p1b h TYR 48 Cb 0.66 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.21 1p1b h TYR 48 CO -0.00 1.29 0.28 0.52 -0.00 0.00 0.00 178.16 180.24 1p1b h MET 49 N 0.47 0.46 -0.02 1.82 2.86 0.24 -1.75 114.93 119.01 1p1b h MET 49 Ca -0.06 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.36 1p1b h MET 49 Cb 1.39 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 1p1b h MET 49 CO 0.16 0.30 -0.86 0.45 1.06 0.00 0.00 176.91 178.02 1p1b h HIS 50 N 0.47 0.46 -0.45 -0.22 3.86 -0.94 -2.45 115.15 115.89 1p1b h HIS 50 Ca 0.17 -0.24 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 1p1b h HIS 50 Cb 0.08 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1p1b h HIS 50 CO -0.00 1.03 -0.02 1.03 0.86 0.00 0.00 177.93 180.83 1p1b h SER 51 N 0.19 0.80 -0.71 2.45 0.87 -0.75 0.19 113.55 116.58 1p1b h SER 51 Ca -0.05 -0.32 -0.07 0.00 -1.23 0.00 0.00 61.79 60.12 1p1b h SER 51 Cb 1.47 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1p1b h SER 51 CO 0.14 0.93 0.17 -0.07 -0.53 0.00 0.00 176.83 177.46 1p1b h LEU 52 N 0.65 1.08 -0.08 2.23 3.38 -1.39 -1.62 115.31 119.57 1p1b h LEU 52 Ca 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1p1b h LEU 52 Cb 0.53 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1p1b h LEU 52 CO 0.03 1.04 0.02 0.00 0.09 0.00 0.00 178.44 179.62 1p1b h ALA 53 N 1.08 0.11 -0.94 1.53 0.00 -1.09 -1.15 119.26 118.80 1p1b h ALA 53 Ca 0.22 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1p1b h ALA 53 Cb 0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1p1b h ALA 53 CO 0.00 -0.28 0.61 0.00 0.00 0.00 0.00 179.25 179.59 1p1b h ALA 54 N 0.82 1.26 -0.43 0.00 0.00 -0.54 -1.38 119.26 118.98 1p1b h ALA 54 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1p1b h ALA 54 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1p1b h ALA 54 CO -0.00 0.46 0.02 0.00 0.00 0.00 0.00 179.25 179.73 1p1b h ALA 55 N 1.40 0.58 0.00 0.00 0.00 -1.06 0.63 119.26 120.81 1p1b h ALA 55 Ca 0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1p1b h ALA 55 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1p1b h ALA 55 CO -0.14 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.27 1p1b h ALA 56 N 0.91 1.08 -0.15 0.00 0.00 -0.82 -2.68 119.26 117.60 1p1b h ALA 56 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p1b h ALA 56 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p1b h ALA 56 CO 0.02 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1p1b n ALA 57 N -2.23 2.45 0.08 0.00 0.00 -0.56 -4.20 120.51 116.05 1p1b n ALA 57 Ca -0.00 -0.79 0.01 0.00 0.00 0.00 0.00 53.44 52.65 1p1b n ALA 57 Cb 0.38 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 1.38 0.00 0.00 0.00 3.41 0.19 -0.97 113.62 117.64 1p1b n SER 58 Ca 0.16 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1p1b n SER 58 Cb 0.60 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.16 -0.18 0.00 4.33 5.12 -1.26 -5.09 116.66 118.42 1p1b n ARG 59 Ca 0.01 -0.51 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 1p1b n ARG 59 Cb 0.01 -0.85 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 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 -0.07 0.99 7.00 -0.13 0.00 -0.14 -4.91 105.19 107.93 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 1.63 3.68 -0.02 0.00 -1.26 -4.64 105.19 104.58 1p1b n GLY 61 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 4.16 -0.13 1.61 3.52 -1.26 0.92 118.95 127.77 1p1b s ARG 62 Ca 0.00 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1p1b s ARG 62 Cb 0.00 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 1p1b s ARG 62 CO 0.00 0.06 -0.19 0.08 -0.81 0.00 0.00 175.30 174.44 1p1b s VAL 63 N 1.03 2.38 -0.25 7.11 1.01 0.15 -0.39 120.40 131.44 1p1b s VAL 63 Ca 0.15 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1p1b s VAL 63 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1p1b s VAL 63 CO 0.06 0.54 0.11 -0.22 0.00 0.00 0.00 175.10 175.59 1p1b s LEU 64 N 0.62 3.72 -0.12 3.92 2.96 -0.30 -0.49 118.68 128.99 1p1b s LEU 64 Ca -0.10 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1p1b s LEU 64 Cb -0.16 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1p1b s LEU 64 CO 0.03 -0.01 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.14 1p1b s GLU 65 N 1.47 3.12 -0.35 1.98 2.12 0.10 -0.30 118.70 126.84 1p1b s GLU 65 Ca 0.06 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.44 1p1b s GLU 65 Cb -0.15 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 1p1b s GLU 65 CO 0.06 0.11 0.25 0.08 -0.54 0.00 0.00 175.26 175.21 1p1b s VAL 66 N 0.54 5.27 0.00 3.70 1.01 -0.47 -0.89 120.40 129.55 1p1b s VAL 66 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1p1b s VAL 66 Cb -0.17 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1p1b s VAL 66 CO 0.04 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1p1b n GLY 67 N 5.11 -1.07 0.11 4.51 0.00 0.17 -4.20 105.19 109.81 1p1b n GLY 67 Ca -0.12 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 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 0.32 0.00 1.61 -0.00 -1.89 -3.48 116.94 113.50 1p1b h PHE 68 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.97 57.74 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 1.37 0.00 0.41 -0.00 0.00 0.00 178.31 180.09 1p1b n GLY 69 N 1.65 3.72 1.41 2.40 0.00 -1.26 -1.80 105.19 111.32 1p1b n GLY 69 Ca -0.20 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 3.02 -1.47 1.61 0.00 -1.26 -4.94 117.12 128.07 1p1b n MET 70 Ca 0.00 -2.66 -0.16 0.00 0.00 0.00 0.00 57.70 54.88 1p1b n MET 70 Cb 0.00 -1.67 -0.07 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 1.44 -0.25 0.03 3.04 0.00 -0.74 -4.89 120.51 119.14 1p1b n ALA 71 Ca 0.24 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.82 1p1b n ALA 71 Cb 0.70 -1.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 1.07 -0.01 0.00 1.08 -1.92 -1.62 117.51 116.11 1p1b h ILE 72 Ca -0.33 -0.22 -0.13 0.00 -0.39 0.00 0.00 64.86 63.79 1p1b h ILE 72 Cb 1.12 1.22 0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1p1b h ILE 72 CO 0.49 0.06 -0.52 0.00 -0.69 0.00 0.00 178.15 177.48 1p1b h ALA 73 N 0.90 0.07 -0.12 1.87 0.00 -1.90 -3.24 119.26 116.84 1p1b h ALA 73 Ca -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1p1b h ALA 73 Cb 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p1b h ALA 73 CO 0.00 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.65 1p1b h ALA 74 N 0.32 1.88 0.06 0.00 0.00 -1.88 -0.52 119.26 119.12 1p1b h ALA 74 Ca -0.06 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1p1b h ALA 74 Cb 1.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1p1b h ALA 74 CO 0.10 -0.16 -1.09 0.77 0.00 0.00 0.00 179.25 178.87 1p1b h SER 75 N 0.00 0.24 -0.14 0.00 0.02 -1.35 -2.32 113.55 110.01 1p1b h SER 75 Ca 0.06 -0.24 -0.21 0.00 -0.84 0.00 0.00 61.79 60.55 1p1b h SER 75 Cb 0.26 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1p1b h SER 75 CO -0.00 1.16 -0.74 -0.09 -1.14 0.00 0.00 176.83 176.03 1p1b h ARG 76 N 0.05 0.78 -0.29 3.45 9.65 -1.34 -2.91 114.38 123.77 1p1b h ARG 76 Ca -0.07 -0.61 0.02 0.00 -1.10 0.00 0.00 59.98 58.22 1p1b h ARG 76 Cb 1.81 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.49 1p1b h ARG 76 CO 0.16 1.22 0.15 0.28 2.80 0.00 0.00 179.97 184.59 1p1b h VAL 77 N 0.54 1.01 -0.01 0.20 2.07 -1.16 -1.20 116.25 117.70 1p1b h VAL 77 Ca -0.04 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1p1b h VAL 77 Cb 1.36 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1p1b h VAL 77 CO 0.15 0.06 0.05 1.56 0.02 0.00 0.00 177.57 179.41 1p1b h GLN 78 N 0.32 0.00 -1.50 1.57 1.08 -1.32 -2.11 115.11 113.15 1p1b h GLN 78 Ca 0.12 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.59 1p1b h GLN 78 Cb 0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.17 1p1b h GLN 78 CO -0.07 0.00 0.97 0.00 -0.95 0.00 0.00 178.83 178.78 1p1b n GLN 79 N -3.29 2.72 -4.17 1.46 10.64 -0.45 -4.74 117.38 119.55 1p1b n GLN 79 Ca -0.03 -3.40 -0.13 0.00 -1.83 0.00 0.00 57.00 51.61 1p1b n GLN 79 Cb 0.12 -2.28 -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 -3.94 1.07 -0.14 2.61 0.00 -0.80 -5.02 121.76 115.54 1p1b s ALA 80 Ca 0.58 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1p1b s ALA 80 Cb 0.47 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.59 1p1b s ALA 80 CO -0.22 -0.08 1.43 -2.30 0.00 0.00 0.00 175.76 174.59 1p1b n PRO 81 N 0.46 0.70 -2.10 0.00 -0.02 -1.26 -4.83 135.00 127.95 1p1b n PRO 81 Ca -0.15 -0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 60.54 1p1b n PRO 81 Cb 0.58 -1.82 0.02 0.00 -0.02 0.00 0.00 33.50 32.26 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 2.98 4.42 -0.03 4.25 1.10 -1.26 -4.17 121.20 128.49 1p1b s ILE 82 Ca 0.19 0.56 -0.03 0.00 -0.51 0.00 0.00 60.65 60.86 1p1b s ILE 82 Cb 0.08 -3.75 -0.01 0.00 0.15 0.00 0.00 42.46 38.93 1p1b s ILE 82 CO -0.01 -0.91 -0.06 1.17 -2.11 0.00 0.00 174.94 173.02 1p1b n LYS 83 N -2.67 0.08 -4.41 3.50 4.81 0.26 -4.74 118.16 115.00 1p1b n LYS 83 Ca 0.05 0.03 -0.24 0.00 -0.87 0.00 0.00 58.31 57.28 1p1b n LYS 83 Cb 0.55 -0.64 -0.13 0.00 0.02 0.00 0.00 35.03 34.83 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 -1.31 1.22 -0.36 1.64 2.02 -0.38 -3.86 118.70 117.67 1p1b s GLU 84 Ca -0.05 -1.08 0.03 0.00 0.02 0.00 0.00 54.97 53.89 1p1b s GLU 84 Cb 0.01 -1.43 0.10 0.00 0.10 0.00 0.00 34.13 32.91 1p1b s GLU 84 CO 0.07 0.34 0.09 -1.58 0.02 0.00 0.00 175.26 174.20 1p1b s HIS 85 N -1.03 3.39 -0.29 1.61 2.46 0.17 -0.68 115.29 120.92 1p1b s HIS 85 Ca 0.07 -2.85 -0.17 0.00 0.47 0.00 0.00 55.06 52.58 1p1b s HIS 85 Cb -0.10 -2.73 -0.03 0.00 -0.13 0.00 0.00 32.58 29.60 1p1b s HIS 85 CO 0.03 -0.91 0.45 -1.58 -2.47 0.00 0.00 174.74 170.26 1p1b s TRP 86 N 0.84 3.24 -0.09 3.88 0.52 0.36 0.17 118.94 127.86 1p1b s TRP 86 Ca 0.12 0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.67 1p1b s TRP 86 Cb -0.20 -2.70 0.01 0.00 -1.15 0.00 0.00 33.47 29.43 1p1b s TRP 86 CO -0.09 -0.32 -0.13 -1.50 0.02 0.00 0.00 176.95 174.92 1p1b s ILE 87 N 2.22 1.28 0.05 2.03 1.10 -1.07 0.01 121.20 126.83 1p1b s ILE 87 Ca 0.18 -0.53 -0.17 0.00 -0.51 0.00 0.00 60.65 59.62 1p1b s ILE 87 Cb -0.16 -1.18 -0.06 0.00 0.15 0.00 0.00 42.46 41.21 1p1b s ILE 87 CO 0.10 0.39 0.50 -0.63 -2.11 0.00 0.00 174.94 173.20 1p1b s ILE 88 N 0.92 4.88 -0.18 2.00 1.01 -0.07 -1.75 121.20 128.00 1p1b s ILE 88 Ca -0.09 1.00 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 1p1b s ILE 88 Cb -0.15 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.57 1p1b s ILE 88 CO 0.00 0.52 0.46 -0.70 0.00 0.00 0.00 174.94 175.23 1p1b s GLU 89 N -1.22 0.50 -0.13 2.79 2.56 -0.72 0.42 118.70 122.90 1p1b s GLU 89 Ca 0.28 0.75 0.17 0.00 0.00 0.00 0.00 54.97 56.17 1p1b s GLU 89 Cb -0.18 0.14 -0.24 0.00 2.00 0.00 0.00 34.13 35.85 1p1b s GLU 89 CO 0.17 -0.11 0.18 0.00 -0.56 0.00 0.00 175.26 174.94 1p1b s ASN 91 N -4.86 7.03 0.25 0.00 3.84 -1.26 -4.58 114.94 115.35 1p1b s ASN 91 Ca -0.08 2.03 -0.05 0.00 0.21 0.00 0.00 52.86 54.97 1p1b s ASN 91 Cb 0.08 -2.57 0.28 0.00 -0.55 0.00 0.00 41.25 38.48 1p1b s ASN 91 CO 0.75 -0.53 1.82 0.44 -2.79 0.00 0.00 177.10 176.80 1p1b h ASP 92 N 6.99 0.97 -0.26 -4.21 3.32 -1.98 0.34 116.42 121.60 1p1b h ASP 92 Ca -0.40 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 1p1b h ASP 92 Cb 1.20 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1p1b h ASP 92 CO 0.83 0.86 -0.24 1.23 -1.72 0.00 0.00 179.24 180.21 1p1b h GLY 93 N 1.10 0.67 1.79 2.75 0.00 -2.01 -2.88 103.07 104.48 1p1b h GLY 93 Ca 0.24 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1p1b h GLY 93 CO -0.02 0.61 -0.72 -2.08 0.00 0.00 0.00 176.54 174.33 1p1b h VAL 94 N 0.33 1.44 0.00 4.60 2.07 -1.93 -3.04 116.25 119.73 1p1b h VAL 94 Ca 0.04 -2.26 -0.04 0.00 0.82 0.00 0.00 66.70 65.26 1p1b h VAL 94 Cb 0.79 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1p1b h VAL 94 CO 0.06 0.66 -0.21 0.15 0.02 0.00 0.00 177.57 178.25 1p1b h PHE 95 N 0.14 0.00 0.11 1.57 3.04 -0.30 0.16 116.94 121.67 1p1b h PHE 95 Ca -0.02 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.65 1p1b h PHE 95 Cb 1.27 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.80 1p1b h PHE 95 CO 0.02 0.21 -1.20 0.37 -2.02 0.00 0.00 178.31 175.69 1p1b h GLN 96 N 0.00 0.42 -0.57 1.11 4.15 -1.45 -0.23 115.11 118.53 1p1b h GLN 96 Ca -0.00 -0.60 -0.02 0.00 0.77 0.00 0.00 58.65 58.80 1p1b h GLN 96 Cb 0.52 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 1p1b h GLN 96 CO 0.03 1.26 0.29 0.00 -1.93 0.00 0.00 178.83 178.47 1p1b h ARG 97 N 0.17 0.81 0.21 1.69 3.08 -1.30 -2.18 114.38 116.86 1p1b h ARG 97 Ca -0.15 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1p1b h ARG 97 Cb 1.89 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.79 1p1b h ARG 97 CO 0.21 0.64 -0.10 1.25 -1.07 0.00 0.00 179.97 180.90 1p1b h LEU 98 N 0.77 -0.24 -0.83 3.04 5.85 -0.62 -1.48 115.31 121.80 1p1b h LEU 98 Ca 0.20 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 59.09 1p1b h LEU 98 Cb 0.09 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.06 1p1b h LEU 98 CO -0.03 -0.15 0.31 1.56 -0.34 0.00 0.00 178.44 179.79 1p1b h GLN 99 N -0.31 0.35 -0.07 1.25 4.20 -0.72 0.12 115.11 119.93 1p1b h GLN 99 Ca -0.03 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 1p1b h GLN 99 Cb 0.24 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1p1b h GLN 99 CO 0.05 0.23 -0.63 -0.91 -0.67 0.00 0.00 178.83 176.90 1p1b h ASN 100 N 0.36 0.68 -0.42 1.46 2.35 -1.27 -3.25 115.58 115.49 1p1b h ASN 100 Ca 0.49 -0.68 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1p1b h ASN 100 Cb 0.88 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1p1b h ASN 100 CO -0.51 1.26 0.21 -0.25 -1.65 0.00 0.00 177.43 176.49 1p1b h TRP 101 N 0.15 0.39 -0.79 1.19 7.01 -0.53 -2.25 115.95 121.13 1p1b h TRP 101 Ca -0.06 0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.14 1p1b h TRP 101 Cb 1.29 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 28.19 1p1b h TRP 101 CO 0.12 0.20 0.53 0.00 -2.79 0.00 0.00 178.44 176.50 1p1b h ALA 102 N 1.22 2.26 0.00 2.65 0.00 -0.85 -1.18 119.26 123.36 1p1b h ALA 102 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p1b h ALA 102 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p1b h ALA 102 CO -0.13 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 179.91 1p1b n LEU 103 N -4.46 0.00 0.00 0.00 7.99 -0.84 -3.03 117.00 116.66 1p1b n LEU 103 Ca 0.16 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 1p1b n LEU 103 Cb 0.64 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1p1b n LEU 103 CO 0.33 -0.09 0.32 2.29 -1.51 0.00 0.00 177.39 178.73 1p1b n LYS 104 N -1.23 0.98 -2.67 3.23 2.85 -0.45 -5.06 118.16 115.81 1p1b n LYS 104 Ca 0.10 -0.85 -0.35 0.00 -1.05 0.00 0.00 58.31 56.15 1p1b n LYS 104 Cb 0.13 -0.84 -0.05 0.00 -0.65 0.00 0.00 35.03 33.61 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 -0.42 4.20 0.00 -1.58 -1.52 -1.17 -4.96 119.66 114.22 1p1b s GLN 105 Ca 0.00 1.33 0.21 0.00 -1.95 0.00 0.00 55.36 54.95 1p1b s GLN 105 Cb 0.00 -2.40 0.99 0.00 -0.22 0.00 0.00 33.01 31.38 1p1b s GLN 105 CO 0.00 -0.08 1.69 -0.35 -0.25 0.00 0.00 175.29 176.30 1p1b n PRO 106 N -0.28 0.15 -3.78 2.91 -0.04 -1.26 -4.66 135.00 128.04 1p1b n PRO 106 Ca 0.06 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1p1b n PRO 106 Cb 0.52 -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 -2.80 0.59 -0.16 0.54 3.76 -1.26 -5.07 115.29 110.89 1p1b s HIS 107 Ca 0.15 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.84 1p1b s HIS 107 Cb 0.14 -0.75 -0.05 0.00 1.11 0.00 0.00 32.58 33.03 1p1b s HIS 107 CO 0.36 -0.30 0.60 1.17 -0.85 0.00 0.00 174.74 175.71 1p1b n LYS 108 N 5.08 0.00 -3.64 1.40 4.81 -1.25 -4.36 118.16 120.20 1p1b n LYS 108 Ca -0.08 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.99 1p1b n LYS 108 Cb 0.50 -0.40 -0.06 0.00 0.02 0.00 0.00 35.03 35.09 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 1.75 5.27 -0.52 3.15 1.01 -1.26 0.42 120.40 130.23 1p1b s VAL 109 Ca 0.33 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1p1b s VAL 109 Cb -0.38 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.55 1p1b s VAL 109 CO 0.16 0.54 0.28 -0.69 0.00 0.00 0.00 175.10 175.39 1p1b s VAL 110 N -0.61 2.34 0.18 2.92 1.01 0.13 -4.91 120.40 121.45 1p1b s VAL 110 Ca 0.18 -3.25 -0.30 0.00 0.00 0.00 0.00 61.98 58.61 1p1b s VAL 110 Cb -0.14 -2.62 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1p1b s VAL 110 CO 0.07 -0.85 1.33 -2.84 0.00 0.00 0.00 175.10 172.81 1p1b s PRO 111 N -0.27 4.37 -0.29 2.72 0.02 -1.26 -2.58 135.00 137.71 1p1b s PRO 111 Ca 0.18 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1p1b s PRO 111 Cb -0.23 -3.21 0.08 0.00 0.02 0.00 0.00 34.50 31.16 1p1b s PRO 111 CO -0.02 -0.30 0.01 -0.51 -0.33 0.00 0.00 177.00 175.85 1p1b s LEU 112 N 0.21 3.25 0.11 -5.54 1.02 -0.72 -4.95 118.68 112.06 1p1b s LEU 112 Ca 0.59 -1.60 -0.30 0.00 0.02 0.00 0.00 54.13 52.84 1p1b s LEU 112 Cb -0.36 -1.28 -0.06 0.00 0.02 0.00 0.00 46.19 44.51 1p1b s LEU 112 CO 0.36 -0.32 1.07 -0.75 0.02 0.00 0.00 176.35 176.74 1p1b s LYS 113 N 1.27 4.58 0.00 1.70 2.47 -1.26 -1.76 119.74 126.74 1p1b s LYS 113 Ca 0.02 1.62 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 1p1b s LYS 113 Cb -0.19 -3.34 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 1p1b s LYS 113 CO -0.11 0.02 0.00 0.41 0.16 0.00 0.00 175.35 175.83 1p1b n GLY 114 N 2.46 0.95 3.78 5.54 0.00 0.25 -4.90 105.19 113.27 1p1b n GLY 114 Ca 0.04 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 4.52 0.62 0.99 1.43 -1.26 -1.98 118.68 123.00 1p1b s LEU 115 Ca 0.00 1.68 0.33 0.00 -1.03 0.00 0.00 54.13 55.11 1p1b s LEU 115 Cb 0.00 -3.50 1.90 0.00 0.03 0.00 0.00 46.19 44.62 1p1b s LEU 115 CO 0.00 0.13 2.19 4.11 0.23 0.00 0.00 176.35 183.01 1p1b h TRP 116 N 3.96 0.00 -0.24 0.29 5.08 -1.95 0.24 115.95 123.33 1p1b h TRP 116 Ca -0.47 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.47 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 0.63 0.00 0.00 0.93 -1.28 0.00 0.00 178.44 178.72 1p1b h GLU 117 N 0.00 0.36 0.00 0.12 3.07 -2.00 -1.41 114.58 114.72 1p1b h GLU 117 Ca 0.03 -0.06 -0.36 0.00 -0.50 0.00 0.00 59.36 58.47 1p1b h GLU 117 Cb 0.26 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.04 1p1b h GLU 117 CO -0.00 0.39 -2.38 -0.85 -1.40 0.00 0.00 179.01 174.77 1p1b n GLU 118 N -4.34 0.64 -0.03 2.33 0.28 0.60 -4.47 120.64 115.65 1p1b n GLU 118 Ca 0.00 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 57.00 1p1b n GLU 118 Cb 0.20 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.49 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 1.43 -0.84 3.84 2.07 -0.87 -3.32 116.25 118.56 1p1b h VAL 119 Ca -0.54 -1.32 0.17 0.00 0.82 0.00 0.00 66.70 65.82 1p1b h VAL 119 Cb 1.88 2.26 -0.10 0.00 -1.52 0.00 0.00 31.29 33.81 1p1b h VAL 119 CO -0.07 0.35 0.39 0.00 0.02 0.00 0.00 177.57 178.26 1p1b h ALA 120 N 0.47 1.26 0.00 1.67 0.00 -1.46 0.83 119.26 122.03 1p1b h ALA 120 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p1b h ALA 120 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1p1b h ALA 120 CO 0.01 -0.19 0.07 -2.30 0.00 0.00 0.00 179.25 176.84 1p1b n PRO 121 N -4.96 0.12 0.00 0.00 -0.02 -1.25 -0.88 135.00 128.02 1p1b n PRO 121 Ca 0.18 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1p1b n PRO 121 Cb 0.49 -1.98 0.12 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 -2.19 0.00 -3.02 3.45 -2.24 0.28 -4.91 114.28 105.65 1p1b n THR 122 Ca -0.01 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1p1b n THR 122 Cb 0.10 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.81 4.34 0.42 3.22 1.02 -0.06 -5.05 118.68 119.77 1p1b s LEU 123 Ca 0.14 1.52 -0.21 0.00 0.02 0.00 0.00 54.13 55.60 1p1b s LEU 123 Cb 0.17 -3.70 -0.11 0.00 0.02 0.00 0.00 46.19 42.58 1p1b s LEU 123 CO 0.69 0.01 0.96 -2.16 0.02 0.00 0.00 176.35 175.87 1p1b s PRO 124 N -2.00 4.23 0.72 1.29 0.04 -1.26 -5.03 135.00 132.99 1p1b s PRO 124 Ca 0.45 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.48 1p1b s PRO 124 Cb -0.17 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1p1b s PRO 124 CO 0.22 -0.03 0.54 -0.25 0.04 0.00 0.00 177.00 177.52 1p1b n ASP 125 N -0.55 -1.15 -3.74 6.66 9.92 -1.26 -2.95 116.55 123.47 1p1b n ASP 125 Ca 0.07 0.60 -0.23 0.00 -0.53 0.00 0.00 54.79 54.70 1p1b n ASP 125 Cb 0.54 -1.22 -0.04 0.00 -0.64 0.00 0.00 41.12 39.76 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 1.64 -0.22 0.01 0.44 0.00 0.65 -4.80 105.19 102.92 1p1b n GLY 126 Ca 0.10 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.35 0.09 -4.49 1.61 -0.00 -0.42 -4.42 115.22 104.23 1p1b n HIS 127 Ca -0.16 0.03 -0.27 0.00 -0.00 0.00 0.00 57.72 57.31 1p1b n HIS 127 Cb 0.41 -0.28 -0.13 0.00 -0.00 0.00 0.00 29.99 29.99 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 2.10 -0.26 1.57 0.08 -0.15 -4.81 117.98 113.31 1p1b s PHE 128 Ca 0.03 -0.40 0.21 0.00 0.12 0.00 0.00 56.93 56.90 1p1b s PHE 128 Cb 0.15 -1.18 0.07 0.00 -0.57 0.00 0.00 43.02 41.49 1p1b s PHE 128 CO 0.85 0.23 1.17 -0.44 -0.10 0.00 0.00 175.22 176.93 1p1b h ASP 129 N 4.24 0.00 -4.88 1.36 3.32 -0.98 -0.32 116.42 119.17 1p1b h ASP 129 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1p1b h ASP 129 Cb 1.17 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1p1b h ASP 129 CO 0.41 0.11 0.10 -0.83 -1.72 0.00 0.00 179.24 177.30 1p1b s GLY 130 N -4.39 -0.50 -0.01 2.75 0.00 -1.14 -0.83 107.32 103.19 1p1b s GLY 130 Ca 0.01 1.22 0.04 0.00 0.00 0.00 0.00 44.72 45.99 1p1b s GLY 130 CO 0.76 0.90 -0.13 -0.42 0.00 0.00 0.00 173.10 174.21 1p1b s ILE 131 N -1.03 1.03 -0.15 0.90 1.01 0.52 -1.15 121.20 122.33 1p1b s ILE 131 Ca -0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1p1b s ILE 131 Cb -0.01 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.62 1p1b s ILE 131 CO 0.08 0.29 -0.08 -0.22 0.00 0.00 0.00 174.94 175.01 1p1b s LEU 132 N -0.24 1.61 -0.34 2.97 2.96 0.59 -1.02 118.68 125.21 1p1b s LEU 132 Ca 0.04 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1p1b s LEU 132 Cb -0.06 -0.98 0.10 0.00 0.50 0.00 0.00 46.19 45.75 1p1b s LEU 132 CO -0.00 -0.14 0.09 -0.47 -1.32 0.00 0.00 176.35 174.51 1p1b s TYR 133 N 1.60 2.87 -0.92 5.38 6.04 -0.59 -1.37 117.35 130.35 1p1b s TYR 133 Ca 0.02 -2.51 -0.18 0.00 0.04 0.00 0.00 57.07 54.44 1p1b s TYR 133 Cb -0.14 -2.41 0.14 0.00 -1.04 0.00 0.00 41.96 38.51 1p1b s TYR 133 CO -0.08 -0.90 1.08 0.34 -1.54 0.00 0.00 175.55 174.44 1p1b s ASP 134 N 1.07 6.65 0.27 4.32 2.15 -1.26 -1.98 116.67 127.88 1p1b s ASP 134 Ca 0.11 -2.13 -0.29 0.00 0.43 0.00 0.00 52.55 50.67 1p1b s ASP 134 Cb -0.19 -2.37 -0.09 0.00 -0.30 0.00 0.00 42.92 39.96 1p1b s ASP 134 CO -0.13 -1.00 1.19 0.28 -0.17 0.00 0.00 175.17 175.34 1p1b s THR 135 N 2.35 3.27 -0.35 1.71 -1.32 -0.33 -4.96 115.64 116.01 1p1b s THR 135 Ca 0.31 1.22 0.04 0.00 -1.21 0.00 0.00 61.69 62.04 1p1b s THR 135 Cb -0.05 -3.77 0.10 0.00 -1.51 0.00 0.00 72.50 67.26 1p1b s THR 135 CO -0.09 0.26 0.07 -0.31 -2.21 0.00 0.00 174.62 172.34 1p1b s TYR 136 N -0.84 3.58 0.76 9.09 4.12 -1.26 -4.59 117.35 128.21 1p1b s TYR 136 Ca 0.48 -2.92 -0.15 0.00 0.02 0.00 0.00 57.07 54.50 1p1b s TYR 136 Cb -0.35 -2.83 0.05 0.00 -1.52 0.00 0.00 41.96 37.31 1p1b s TYR 136 CO 0.43 -0.93 1.17 -0.35 0.02 0.00 0.00 175.55 175.89 1p1b n PRO 137 N 4.23 0.42 -0.06 -1.71 -0.04 -1.26 -5.00 135.00 131.57 1p1b n PRO 137 Ca 0.04 0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1p1b n PRO 137 Cb 0.41 -2.41 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 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 -2.70 1.44 -4.97 1.53 4.77 -1.26 -5.02 117.00 110.79 1p1b n LEU 138 Ca 0.14 0.49 -0.20 0.00 -0.03 0.00 0.00 56.01 56.42 1p1b n LEU 138 Cb 0.50 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1p1b n LEU 138 CO 0.48 -0.45 0.15 -0.94 -1.33 0.00 0.00 177.39 175.30 1p1b s SER 139 N -5.30 5.25 0.03 -1.43 1.04 -1.26 -5.01 113.70 107.01 1p1b s SER 139 Ca -0.14 -0.70 0.24 0.00 0.48 0.00 0.00 55.95 55.83 1p1b s SER 139 Cb 0.02 -0.28 0.38 0.00 0.10 0.00 0.00 66.02 66.24 1p1b s SER 139 CO 0.21 -0.91 1.32 -1.84 0.98 0.00 0.00 173.24 172.99 1p1b n GLU 140 N -1.86 0.09 -1.13 4.02 0.28 -1.26 -2.35 120.64 118.43 1p1b n GLU 140 Ca 0.08 0.02 -0.23 0.00 -0.16 0.00 0.00 57.16 56.86 1p1b n GLU 140 Cb 0.61 -1.55 0.15 0.00 1.43 0.00 0.00 31.44 32.08 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 -1.67 2.18 0.00 3.44 0.28 -1.26 -3.32 120.64 120.29 1p1b n GLU 141 Ca 0.05 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.29 1p1b n GLU 141 Cb 0.37 -2.08 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 -0.95 0.00 -0.29 3.84 5.66 -1.24 -5.00 114.28 116.30 1p1b n THR 142 Ca 0.55 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.51 1p1b n THR 142 Cb 1.45 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 70.22 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 -0.12 1.52 1.09 -0.00 -0.99 -0.57 117.44 118.37 1p1b n TRP 143 Ca 0.00 0.91 0.14 0.00 -0.00 0.00 0.00 57.50 58.55 1p1b n TRP 143 Cb 0.08 -0.68 0.55 0.00 -0.00 0.00 0.00 31.31 31.25 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 -5.01 0.01 0.00 5.87 8.25 -1.26 -4.28 115.22 118.79 1p1b n HIS 144 Ca 0.05 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 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 0.10 0.00 -0.35 1.59 -2.24 -0.42 -4.88 114.28 108.08 1p1b n THR 145 Ca 0.19 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1p1b n THR 145 Cb 0.34 0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.50 -1.34 4.78 6.17 -1.02 -0.35 115.15 121.89 1p1b h HIS 146 Ca 0.00 0.11 0.39 0.00 0.71 0.00 0.00 60.37 61.58 1p1b h HIS 146 Cb 0.00 0.78 -0.05 0.00 2.52 0.00 0.00 27.41 30.65 1p1b h HIS 146 CO 0.00 -0.40 1.04 -0.56 0.71 0.00 0.00 177.93 178.72 1p1b h GLN 147 N -0.06 0.00 0.00 5.26 -0.00 -1.89 -0.01 115.11 118.41 1p1b h GLN 147 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1p1b h GLN 147 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1p1b h GLN 147 CO -0.89 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 179.13 1p1b n PHE 148 N -3.94 0.00 0.07 0.06 0.99 -0.14 -2.55 117.46 111.96 1p1b n PHE 148 Ca 0.29 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.59 1p1b n PHE 148 Cb 1.46 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 39.80 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 0.36 0.20 4.37 2.35 -1.16 -2.49 115.58 119.21 1p1b h ASN 149 Ca 0.00 -0.46 -0.32 0.00 -0.55 0.00 0.00 56.30 54.98 1p1b h ASN 149 Cb 0.00 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.27 1p1b h ASN 149 CO 0.00 1.37 -1.50 0.15 -1.65 0.00 0.00 177.43 175.81 1p1b h PHE 150 N 0.06 0.77 0.82 1.19 3.57 -1.71 -3.05 116.94 118.59 1p1b h PHE 150 Ca -0.19 -0.56 -0.04 0.00 3.53 0.00 0.00 57.97 60.71 1p1b h PHE 150 Cb 1.99 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.70 1p1b h PHE 150 CO 0.06 1.58 -0.39 0.82 -2.23 0.00 0.00 178.31 178.14 1p1b h ILE 151 N 0.01 0.11 -0.96 1.41 2.04 -1.61 0.53 117.51 119.04 1p1b h ILE 151 Ca -0.28 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.54 1p1b h ILE 151 Cb 2.03 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1p1b h ILE 151 CO 0.20 0.01 0.62 0.11 0.00 0.00 0.00 178.15 179.08 1p1b h LYS 152 N -1.20 1.04 0.16 2.37 1.57 -1.62 -2.25 116.57 116.64 1p1b h LYS 152 Ca -0.11 -0.06 -0.34 0.00 -1.87 0.00 0.00 60.65 58.27 1p1b h LYS 152 Cb 0.86 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1p1b h LYS 152 CO 0.19 0.69 -1.67 1.15 -0.57 0.00 0.00 179.45 179.23 1p1b h THR 153 N 1.07 1.02 0.00 -0.16 2.02 -1.48 -3.45 112.91 111.94 1p1b h THR 153 Ca 0.43 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1p1b h THR 153 Cb 0.25 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1p1b h THR 153 CO -0.18 0.84 -0.93 1.41 0.37 0.00 0.00 175.52 177.03 1p1b n HIS 154 N -3.54 0.00 0.05 3.16 8.25 0.18 -4.73 115.22 118.59 1p1b n HIS 154 Ca -0.22 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.12 1p1b n HIS 154 Cb 1.07 0.00 -0.06 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 -0.62 -0.32 -1.41 0.00 -0.71 0.18 119.26 116.39 1p1b h ALA 155 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1p1b h ALA 155 Cb 0.93 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1p1b h ALA 155 CO 0.00 -0.93 0.00 0.35 0.00 0.00 0.00 179.25 178.67 1p1b h PHE 156 N -0.54 -0.02 0.00 0.00 3.04 -1.83 -2.78 116.94 114.80 1p1b h PHE 156 Ca 0.05 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.90 1p1b h PHE 156 Cb 0.63 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1p1b h PHE 156 CO -0.42 -0.05 -0.60 0.07 -2.02 0.00 0.00 178.31 175.28 1p1b h ARG 157 N 0.09 0.00 0.00 1.11 0.11 -1.81 -3.20 114.38 110.68 1p1b h ARG 157 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1p1b h ARG 157 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1p1b h ARG 157 CO -0.26 0.60 0.00 1.28 0.10 0.00 0.00 179.97 181.70 1p1b n LEU 158 N -3.68 0.04 -4.81 0.08 4.77 0.04 0.24 117.00 113.67 1p1b n LEU 158 Ca -0.01 0.50 -0.38 0.00 -0.03 0.00 0.00 56.01 56.09 1p1b n LEU 158 Cb 0.63 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1p1b n LEU 158 CO 0.41 -0.06 0.26 -0.76 -1.33 0.00 0.00 177.39 175.91 1p1b s LEU 159 N -3.07 4.51 0.48 2.23 1.43 -1.08 -0.98 118.68 122.21 1p1b s LEU 159 Ca 0.12 1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1p1b s LEU 159 Cb 0.17 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 1p1b s LEU 159 CO 0.48 0.27 0.95 -0.54 0.23 0.00 0.00 176.35 177.74 1p1b s LYS 160 N -1.16 3.99 0.28 1.70 1.02 -0.13 -4.05 119.74 121.40 1p1b s LYS 160 Ca 0.29 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 56.91 1p1b s LYS 160 Cb -0.19 -2.18 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 1p1b s LYS 160 CO 0.19 -0.19 1.45 -2.30 -0.92 0.00 0.00 175.35 173.58 1p1b n PRO 161 N -1.33 2.30 -0.00 -1.68 -0.02 -1.26 0.66 135.00 133.66 1p1b n PRO 161 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1p1b n PRO 161 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.80 2.03 3.73 -1.23 0.00 0.38 -4.99 105.19 106.91 1p1b n GLY 162 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.21 -0.07 -0.02 0.00 0.21 -4.59 107.32 103.06 1p1b s GLY 163 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.52 1p1b s GLY 163 CO 0.00 1.17 -0.17 -1.50 0.00 0.00 0.00 173.10 172.60 1p1b s ILE 164 N -2.16 2.82 -0.17 0.90 2.07 -0.01 -0.29 121.20 124.36 1p1b s ILE 164 Ca 0.72 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1p1b s ILE 164 Cb -0.27 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.23 1p1b s ILE 164 CO 0.47 0.57 -0.17 -0.22 -1.91 0.00 0.00 174.94 173.67 1p1b s LEU 165 N -0.37 2.29 0.03 8.50 2.96 0.41 -0.35 118.68 132.14 1p1b s LEU 165 Ca 0.04 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1p1b s LEU 165 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1p1b s LEU 165 CO 0.02 0.03 -0.19 0.28 -1.32 0.00 0.00 176.35 175.17 1p1b s THR 166 N 1.11 1.53 0.25 3.68 -1.32 -0.18 -1.91 115.64 118.79 1p1b s THR 166 Ca 0.00 -1.07 -0.06 0.00 -1.21 0.00 0.00 61.69 59.36 1p1b s THR 166 Cb -0.14 -1.33 0.02 0.00 -1.51 0.00 0.00 72.50 69.55 1p1b s THR 166 CO -0.07 0.23 0.42 0.00 -2.21 0.00 0.00 174.62 173.00 1p1b n TYR 167 N 2.05 -1.53 -3.63 9.09 4.11 -1.26 -1.54 117.16 124.45 1p1b n TYR 167 Ca -0.17 -1.37 -0.03 0.00 -0.00 0.00 0.00 57.90 56.33 1p1b n TYR 167 Cb 0.54 0.49 -0.04 0.00 -0.00 0.00 0.00 39.34 40.32 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 -1.00 2.33 0.18 0.00 3.84 -1.26 -1.19 114.94 117.85 1p1b s ASN 169 Ca 0.07 -3.18 -0.12 0.00 0.21 0.00 0.00 52.86 49.84 1p1b s ASN 169 Cb -0.01 -0.72 0.15 0.00 -0.55 0.00 0.00 41.25 40.12 1p1b s ASN 169 CO -0.07 -0.16 1.79 -0.07 -2.79 0.00 0.00 177.10 175.80 1p1b h LEU 170 N 5.69 0.40 -0.98 3.21 4.07 -1.98 -0.38 115.31 125.34 1p1b h LEU 170 Ca 0.22 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.17 1p1b h LEU 170 Cb 0.88 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 1p1b h LEU 170 CO 0.45 0.27 0.26 0.71 -1.08 0.00 0.00 178.44 179.05 1p1b h THR 171 N 0.53 1.23 -0.15 0.22 1.35 -1.91 0.45 112.91 114.64 1p1b h THR 171 Ca 0.24 -0.74 -0.05 0.00 -0.55 0.00 0.00 66.41 65.30 1p1b h THR 171 Cb 0.14 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1p1b h THR 171 CO -0.16 0.30 -0.10 -1.28 -0.25 0.00 0.00 175.52 174.03 1p1b h SER 172 N 0.98 0.35 0.48 5.36 0.87 -1.78 -1.84 113.55 117.97 1p1b h SER 172 Ca 0.23 -0.44 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 1p1b h SER 172 Cb 0.20 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1p1b h SER 172 CO -0.02 0.71 -0.26 -0.50 -0.53 0.00 0.00 176.83 176.23 1p1b h TRP 173 N -0.01 0.00 -0.01 2.24 6.55 -0.75 -0.24 115.95 123.73 1p1b h TRP 173 Ca 0.03 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.73 1p1b h TRP 173 Cb 0.59 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.87 1p1b h TRP 173 CO 0.07 0.26 -0.66 0.78 -1.05 0.00 0.00 178.44 177.84 1p1b h GLY 174 N 1.22 0.06 0.47 1.49 0.00 0.08 -1.05 103.07 105.34 1p1b h GLY 174 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1p1b h GLY 174 CO 0.03 0.07 -0.22 -2.09 0.00 0.00 0.00 176.54 174.34 1p1b h GLU 175 N 0.04 -0.59 -0.90 4.80 4.81 -0.39 -3.03 114.58 119.32 1p1b h GLU 175 Ca -0.01 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1p1b h GLU 175 Cb 1.17 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 1p1b h GLU 175 CO 0.09 -0.38 0.58 -0.07 -0.73 0.00 0.00 179.01 178.50 1p1b h LEU 176 N -1.15 0.73 -0.20 1.64 4.07 -1.13 -0.29 115.31 118.98 1p1b h LEU 176 Ca -0.06 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1p1b h LEU 176 Cb 0.49 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1p1b h LEU 176 CO 0.10 0.39 -0.04 0.23 -1.08 0.00 0.00 178.44 178.04 1p1b n MET 177 N -4.56 0.84 -0.01 1.13 2.81 -0.40 -1.16 117.12 115.78 1p1b n MET 177 Ca 0.17 -0.20 -0.22 0.00 -1.81 0.00 0.00 57.70 55.64 1p1b n MET 177 Cb 0.40 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.49 0.24 0.00 0.03 3.64 -0.92 -3.44 116.57 116.62 1p1b h LYS 178 Ca 0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1p1b h LYS 178 Cb 0.25 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1p1b h LYS 178 CO 0.00 1.19 0.00 -1.13 -2.27 0.00 0.00 179.45 177.24 1p1b n SER 179 N -3.63 0.00 -0.25 4.20 3.41 -1.10 -4.90 113.62 111.35 1p1b n SER 179 Ca -0.31 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.36 1p1b n SER 179 Cb 1.00 -0.07 0.18 0.00 -0.26 0.00 0.00 64.21 65.06 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 -6.22 4.33 1.79 -1.75 -3.45 116.57 111.48 1p1b h LYS 180 Ca 0.00 -0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.86 1p1b h LYS 180 Cb 0.00 -0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 30.45 1p1b h LYS 180 CO 0.00 0.14 -0.77 0.71 -1.08 0.00 0.00 179.45 178.45 1p1b s TYR 181 N -6.05 2.21 0.00 -1.35 1.51 -0.31 -5.02 117.35 108.35 1p1b s TYR 181 Ca -0.13 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1p1b s TYR 181 Cb 0.22 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 1p1b s TYR 181 CO 0.76 0.62 0.00 0.25 -1.11 0.00 0.00 175.55 176.07 1p1b n THR 182 N -0.36 0.00 -3.98 -0.71 -2.24 -1.26 -4.52 114.28 101.20 1p1b n THR 182 Ca -0.07 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1p1b n THR 182 Cb 0.59 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.37 4.08 0.51 3.42 2.15 -1.26 -5.02 116.67 119.18 1p1b s ASP 183 Ca 0.00 -0.75 0.16 0.00 0.43 0.00 0.00 52.55 52.39 1p1b s ASP 183 Cb 0.00 -1.64 1.23 0.00 -0.30 0.00 0.00 42.92 42.21 1p1b s ASP 183 CO 0.00 -0.08 2.12 -0.29 -0.17 0.00 0.00 175.17 176.75 1p1b h ILE 184 N 6.03 0.99 0.00 4.11 2.10 -1.97 -2.01 117.51 126.77 1p1b h ILE 184 Ca -0.37 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.55 1p1b h ILE 184 Cb 1.12 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 1p1b h ILE 184 CO 0.59 0.01 -0.21 0.71 -1.08 0.00 0.00 178.15 178.18 1p1b h THR 185 N 0.08 0.00 -0.02 2.19 1.35 -1.99 -2.99 112.91 111.53 1p1b h THR 185 Ca 0.04 -0.88 -0.22 0.00 -0.55 0.00 0.00 66.41 64.80 1p1b h THR 185 Cb 0.09 1.77 0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1p1b h THR 185 CO -0.01 0.00 -0.84 0.00 -0.25 0.00 0.00 175.52 174.43 1p1b h ALA 186 N 2.12 0.12 -0.26 6.62 0.00 -1.80 -1.96 119.26 124.10 1p1b h ALA 186 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1p1b h ALA 186 Cb 0.94 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1p1b h ALA 186 CO 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 1p1b h MET 187 N 0.20 0.41 -0.32 0.00 -0.00 -1.49 -0.54 114.93 113.18 1p1b h MET 187 Ca -0.10 -0.09 -0.16 0.00 -0.00 0.00 0.00 59.70 59.35 1p1b h MET 187 Cb 1.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 33.05 1p1b h MET 187 CO 0.17 0.49 -0.42 0.35 -0.00 0.00 0.00 176.91 177.49 1p1b h PHE 188 N 0.39 0.98 -0.02 -0.10 3.04 -1.49 0.24 116.94 119.98 1p1b h PHE 188 Ca 0.08 -0.30 -0.00 0.00 3.98 0.00 0.00 57.97 61.73 1p1b h PHE 188 Cb 0.36 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1p1b h PHE 188 CO 0.01 1.10 0.01 1.49 -2.02 0.00 0.00 178.31 178.89 1p1b h GLU 189 N 0.66 0.03 -0.09 1.11 4.57 -0.67 0.83 114.58 121.02 1p1b h GLU 189 Ca 0.05 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1p1b h GLU 189 Cb 1.00 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1p1b h GLU 189 CO 0.10 0.13 -0.15 0.93 -1.18 0.00 0.00 179.01 178.84 1p1b h GLU 190 N -0.09 0.26 0.00 1.92 5.08 -1.06 -3.34 114.58 117.36 1p1b h GLU 190 Ca 0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1p1b h GLU 190 Cb 0.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1p1b h GLU 190 CO -0.00 0.73 -1.50 0.25 -1.00 0.00 0.00 179.01 177.49 1p1b n THR 191 N -4.60 0.23 -0.07 1.13 -2.24 0.82 -4.68 114.28 104.87 1p1b n THR 191 Ca -0.07 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.08 1p1b n THR 191 Cb 0.37 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.34 0.33 -0.13 -0.78 1.13 0.20 -4.76 117.38 111.02 1p1b n GLN 192 Ca -0.02 0.14 -0.05 0.00 -1.94 0.00 0.00 57.00 55.14 1p1b n GLN 192 Cb 0.54 -1.05 0.01 0.00 0.11 0.00 0.00 30.24 29.85 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 -0.56 0.39 -0.91 5.09 2.07 -1.43 -2.30 116.25 118.61 1p1b h VAL 193 Ca -0.36 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.39 1p1b h VAL 193 Cb 1.28 0.39 -0.13 0.00 -1.52 0.00 0.00 31.29 31.31 1p1b h VAL 193 CO -0.22 0.00 0.39 -0.65 0.02 0.00 0.00 177.57 177.11 1p1b h PRO 194 N -0.12 0.34 0.01 1.57 0.11 -1.83 0.18 132.00 132.26 1p1b h PRO 194 Ca 0.21 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.10 1p1b h PRO 194 Cb 0.44 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1p1b h PRO 194 CO -0.51 0.23 -0.90 0.00 -0.21 0.00 0.00 178.00 176.61 1p1b h ALA 195 N 1.74 0.51 -0.54 -0.75 0.00 -1.73 -1.72 119.26 116.77 1p1b h ALA 195 Ca 0.58 -0.76 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1p1b h ALA 195 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1p1b h ALA 195 CO -0.57 0.99 0.04 -0.07 0.00 0.00 0.00 179.25 179.64 1p1b h LEU 196 N 0.06 0.90 -0.26 0.00 4.07 -0.60 0.43 115.31 119.91 1p1b h LEU 196 Ca -0.04 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 1p1b h LEU 196 Cb 1.55 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 1p1b h LEU 196 CO 0.13 0.96 -0.01 -0.07 -1.08 0.00 0.00 178.44 178.37 1p1b h LEU 197 N 0.80 0.46 -1.58 1.67 4.07 -1.02 -2.07 115.31 117.63 1p1b h LEU 197 Ca 0.16 -0.32 0.11 0.00 0.08 0.00 0.00 57.88 57.91 1p1b h LEU 197 Cb 0.48 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1p1b h LEU 197 CO 0.02 0.67 0.45 -0.08 -1.08 0.00 0.00 178.44 178.42 1p1b h GLU 198 N 0.24 0.44 0.00 1.13 4.81 -0.94 0.59 114.58 120.84 1p1b h GLU 198 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1p1b h GLU 198 Cb 0.44 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1p1b h GLU 198 CO 0.02 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 1p1b n ALA 199 N -2.51 1.61 0.00 2.92 0.00 0.15 -4.86 120.51 117.81 1p1b n ALA 199 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1p1b n ALA 199 Cb 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.12 1.94 3.76 0.00 0.00 0.20 -4.76 105.19 106.20 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 -1.83 2.18 0.03 1.61 0.40 -0.99 -4.98 117.98 114.40 1p1b s PHE 201 Ca 0.00 0.80 0.09 0.00 -0.60 0.00 0.00 56.93 57.22 1p1b s PHE 201 Cb 0.00 -3.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.08 1p1b s PHE 201 CO 0.00 -2.64 -0.26 -0.65 0.70 0.00 0.00 175.22 172.37 1p1b s GLN 202 N -5.28 1.82 0.33 0.44 -1.52 -1.26 -4.28 119.66 109.90 1p1b s GLN 202 Ca 0.65 -1.06 0.16 0.00 -1.95 0.00 0.00 55.36 53.17 1p1b s GLN 202 Cb -0.14 -1.95 1.14 0.00 -0.22 0.00 0.00 33.01 31.85 1p1b s GLN 202 CO 0.54 0.51 1.43 -2.13 -0.25 0.00 0.00 175.29 175.39 1p1b n ARG 203 N 1.91 -0.06 0.29 2.91 3.00 -1.26 0.23 116.66 123.68 1p1b n ARG 203 Ca -0.17 1.26 0.18 0.00 -0.00 0.00 0.00 57.85 59.13 1p1b n ARG 203 Cb 0.52 -2.23 0.80 0.00 0.00 0.00 0.00 32.46 31.55 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 -2.60 114.58 118.94 1p1b h GLU 204 Ca 0.74 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 60.11 1p1b h GLU 204 Cb 1.90 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.00 1p1b h GLU 204 CO -0.72 0.00 -0.19 -0.91 0.05 0.00 0.00 179.01 177.24 1p1b h ASN 205 N 0.00 0.00 -3.05 3.06 2.35 0.26 -3.45 115.58 114.75 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 0.39 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.65 1p1b h ASN 205 CO 0.00 0.19 -0.51 0.27 -1.65 0.00 0.00 177.43 175.73 1p1b s ILE 206 N -3.14 5.24 0.21 2.81 -5.25 -0.98 -0.96 121.20 119.12 1p1b s ILE 206 Ca 0.06 0.12 -0.01 0.00 -0.99 0.00 0.00 60.65 59.83 1p1b s ILE 206 Cb 0.06 -3.33 -0.04 0.00 2.95 0.00 0.00 42.46 42.10 1p1b s ILE 206 CO 0.69 0.52 0.12 0.00 -1.79 0.00 0.00 174.94 174.49 1p1b s THR 208 N -4.09 0.08 -0.20 0.00 -4.23 -1.26 -1.10 115.64 104.83 1p1b s THR 208 Ca 0.39 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1p1b s THR 208 Cb 0.07 -0.41 0.05 0.00 1.34 0.00 0.00 72.50 73.55 1p1b s THR 208 CO 0.12 -0.35 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.09 1p1b s GLU 209 N -1.25 1.64 -0.08 3.99 2.12 -0.06 -4.93 118.70 120.13 1p1b s GLU 209 Ca -0.13 -0.79 -0.16 0.00 0.36 0.00 0.00 54.97 54.24 1p1b s GLU 209 Cb -0.07 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.91 1p1b s GLU 209 CO 0.01 -0.51 0.42 0.08 -0.54 0.00 0.00 175.26 174.73 1p1b s VAL 210 N 1.48 5.15 0.16 3.70 1.01 -1.26 -0.47 120.40 130.17 1p1b s VAL 210 Ca -0.02 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.88 1p1b s VAL 210 Cb -0.17 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1p1b s VAL 210 CO -0.07 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.27 1p1b s MET 211 N -0.01 1.25 -0.14 2.72 0.23 0.13 -4.95 119.30 118.53 1p1b s MET 211 Ca 0.23 -1.38 -0.22 0.00 -1.03 0.00 0.00 55.69 53.29 1p1b s MET 211 Cb -0.15 -1.31 -0.03 0.00 -1.53 0.00 0.00 34.83 31.81 1p1b s MET 211 CO 0.10 0.27 0.68 0.00 -2.03 0.00 0.00 175.02 174.04 1p1b s ALA 212 N -1.98 3.46 -0.24 3.16 0.00 -1.26 -0.27 121.76 124.63 1p1b s ALA 212 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 1p1b s ALA 212 Cb -0.06 -2.99 0.11 0.00 0.00 0.00 0.00 23.12 20.18 1p1b s ALA 212 CO 0.06 -0.37 0.51 -1.17 0.00 0.00 0.00 175.76 174.79 1p1b s LEU 213 N 1.46 -0.85 -0.32 0.00 0.20 -0.10 -4.88 118.68 114.19 1p1b s LEU 213 Ca 0.34 1.18 -0.11 0.00 0.69 0.00 0.00 54.13 56.23 1p1b s LEU 213 Cb -0.17 1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 47.29 1p1b s LEU 213 CO 0.14 -0.23 0.19 -0.69 -0.29 0.00 0.00 176.35 175.46 1p1b s VAL 214 N 2.72 4.92 0.69 1.68 1.01 -1.26 -2.97 120.40 127.21 1p1b s VAL 214 Ca -0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1p1b s VAL 214 Cb -0.12 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1p1b s VAL 214 CO -0.15 0.06 1.13 -2.84 0.00 0.00 0.00 175.10 173.30 1p1b s PRO 215 N 1.67 2.54 0.81 2.72 0.02 -1.26 -4.99 135.00 136.51 1p1b s PRO 215 Ca 0.05 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 1p1b s PRO 215 Cb -0.17 -1.91 0.08 0.00 0.02 0.00 0.00 34.50 32.52 1p1b s PRO 215 CO 0.08 -1.46 1.15 -2.14 -0.33 0.00 0.00 177.00 174.30 1p1b s PRO 216 N -4.16 1.74 0.51 5.54 0.02 -1.26 -4.91 135.00 132.48 1p1b s PRO 216 Ca 0.68 1.53 0.21 0.00 0.02 0.00 0.00 61.00 63.43 1p1b s PRO 216 Cb -0.22 -1.81 1.29 0.00 0.02 0.00 0.00 34.50 33.78 1p1b s PRO 216 CO 0.44 -2.09 2.03 0.00 -0.33 0.00 0.00 177.00 177.05 1p1b h ALA 217 N -1.11 2.28 -0.61 -1.55 0.00 -1.98 -2.31 119.26 113.99 1p1b h ALA 217 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1p1b h ALA 217 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p1b h ALA 217 CO 0.47 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 1p1b n ASP 218 N -4.44 3.31 -4.64 0.00 5.75 -1.26 -4.94 116.55 110.33 1p1b n ASP 218 Ca 0.07 -2.03 -0.42 0.00 -0.01 0.00 0.00 54.79 52.40 1p1b n ASP 218 Cb 0.44 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 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 11.77 0.00 0.00 0.00 3.08 -1.92 -3.38 114.38 123.94 1p1b h ARG 220 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1p1b h ARG 220 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1p1b h ARG 220 CO 0.95 0.00 0.00 2.48 -1.07 0.00 0.00 179.97 182.33 1p1b n TYR 221 N -2.46 0.00 -3.71 3.04 4.11 -1.26 -5.03 117.16 111.85 1p1b n TYR 221 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.82 1p1b n TYR 221 Cb 0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.66 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 -0.62 -0.32 0.00 -3.48 6.14 -1.26 -4.15 117.35 113.65 1p1b s TYR 222 Ca 0.00 0.78 0.00 0.00 0.64 0.00 0.00 57.07 58.49 1p1b s TYR 222 Cb 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 41.96 42.37 1p1b s TYR 222 CO 0.00 -0.26 0.01 0.00 0.64 0.00 0.00 175.55 175.94 1p1b n ALA 223 N 4.54 1.51 -1.82 3.97 0.00 -1.26 -4.75 120.51 122.70 1p1b n ALA 223 Ca -0.20 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 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 -0.74 3.32 -2.00 0.00 5.36 -1.26 -4.84 117.98 117.83 1p1b s PHE 224 Ca 0.00 1.51 0.06 0.00 -0.96 0.00 0.00 56.93 57.54 1p1b s PHE 224 Cb 0.00 -3.49 0.36 0.00 -0.34 0.00 0.00 43.02 39.55 1p1b s PHE 224 CO 0.00 -1.27 1.00 -0.35 -1.46 0.00 0.00 175.22 173.14 1p1b n PRO 225 N 1.35 0.73 -3.79 10.12 -0.04 -1.26 -4.47 135.00 137.64 1p1b n PRO 225 Ca 0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1p1b n PRO 225 Cb 0.43 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.71 0.21 0.54 -2.07 -1.16 -0.93 119.66 114.96 1p1b s GLN 226 Ca 0.09 -0.44 0.08 0.00 -1.82 0.00 0.00 55.36 53.27 1p1b s GLN 226 Cb 0.04 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 1p1b s GLN 226 CO 0.07 -0.21 0.00 -1.64 -1.32 0.00 0.00 175.29 172.19 1p1b s MET 227 N -2.09 2.37 -0.05 9.60 -1.94 0.63 -4.85 119.30 122.97 1p1b s MET 227 Ca -0.08 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1p1b s MET 227 Cb -0.03 -2.29 -0.00 0.00 2.01 0.00 0.00 34.83 34.53 1p1b s MET 227 CO -0.01 0.42 -0.18 -1.50 -0.01 0.00 0.00 175.02 173.74 1p1b s ILE 228 N -1.95 1.50 -0.24 2.53 2.07 -1.26 0.23 121.20 124.08 1p1b s ILE 228 Ca 0.29 -0.74 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 1p1b s ILE 228 Cb -0.08 -1.30 0.03 0.00 0.13 0.00 0.00 42.46 41.23 1p1b s ILE 228 CO 0.19 0.43 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.69 1p1b s THR 229 N 0.16 2.77 0.13 4.00 2.01 0.38 -4.93 115.64 120.15 1p1b s THR 229 Ca -0.07 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.59 1p1b s THR 229 Cb -0.13 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 1p1b s THR 229 CO 0.03 0.22 0.93 -2.16 -0.69 0.00 0.00 174.62 172.95 1p1b s PRO 230 N 1.31 4.70 -0.40 4.92 0.05 -1.26 -0.88 135.00 143.44 1p1b s PRO 230 Ca 0.00 1.41 0.03 0.00 0.05 0.00 0.00 61.00 62.49 1p1b s PRO 230 Cb -0.16 -3.35 0.11 0.00 0.05 0.00 0.00 34.50 31.14 1p1b s PRO 230 CO -0.05 0.29 0.14 -0.51 0.05 0.00 0.00 177.00 176.91 1p1b s LEU 231 N -0.25 4.16 -0.38 -3.56 1.43 -0.26 -4.28 118.68 115.54 1p1b s LEU 231 Ca 0.45 -2.40 -0.09 0.00 -1.03 0.00 0.00 54.13 51.05 1p1b s LEU 231 Cb -0.23 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.54 1p1b s LEU 231 CO 0.29 -0.33 0.20 -0.69 0.23 0.00 0.00 176.35 176.05 1p1b s VAL 232 N 0.57 4.22 -0.02 -1.59 1.01 -0.80 -1.28 120.40 122.50 1p1b s VAL 232 Ca 0.13 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1p1b s VAL 232 Cb -0.21 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1p1b s VAL 232 CO -0.07 -0.32 0.40 -0.89 0.00 0.00 0.00 175.10 174.23 1p1b s THR 233 N 1.46 5.07 0.03 3.92 2.01 -0.14 -0.45 115.64 127.54 1p1b s THR 233 Ca 0.01 0.82 -0.21 0.00 0.31 0.00 0.00 61.69 62.62 1p1b s THR 233 Cb -0.21 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 1p1b s THR 233 CO 0.04 0.55 0.64 -0.75 -0.69 0.00 0.00 174.62 174.40 1p1b s LYS 234 N -0.84 4.35 0.00 4.92 2.47 0.61 -4.73 119.74 126.52 1p1b s LYS 234 Ca 0.23 0.83 0.27 0.00 -1.56 0.00 0.00 55.97 55.74 1p1b s LYS 234 Cb -0.16 -3.32 1.61 0.00 -1.46 0.00 0.00 37.83 34.49 1p1b s LYS 234 CO 0.12 0.42 1.96 1.58 0.16 0.00 0.00 175.35 179.59