#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4b s SER 2 N 0.00 4.20 -0.17 1.61 0.15 -1.26 -5.11 113.70 113.13 1x4b s SER 2 Ca 0.00 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.32 1x4b s SER 2 Cb 0.00 -1.24 0.05 0.00 -1.71 0.00 0.00 66.02 63.12 1x4b s SER 2 CO 0.00 0.28 0.43 -0.44 1.20 0.00 0.00 173.24 174.70 1x4b s SER 3 N -0.30 -0.48 1.00 5.45 0.01 -1.26 -5.15 113.70 112.97 1x4b s SER 3 Ca 0.03 0.89 -0.19 0.00 1.31 0.00 0.00 55.95 57.98 1x4b s SER 3 Cb -0.13 0.84 -0.09 0.00 0.21 0.00 0.00 66.02 66.85 1x4b s SER 3 CO 0.03 -0.17 -0.65 0.61 0.41 0.00 0.00 173.24 173.47 1x4b n GLY 4 N 3.43 -3.49 3.55 3.44 0.00 -1.26 -4.80 105.19 106.07 1x4b n GLY 4 Ca -0.17 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1x4b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4b s SER 5 N -1.30 6.34 -0.46 1.61 1.04 -1.26 -4.86 113.70 114.80 1x4b s SER 5 Ca 0.44 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.71 1x4b s SER 5 Cb -0.11 -2.52 0.19 0.00 0.10 0.00 0.00 66.02 63.68 1x4b s SER 5 CO 0.74 -1.51 0.81 -0.44 0.98 0.00 0.00 173.24 173.81 1x4b s SER 6 N 3.17 -1.18 -0.51 7.02 0.01 -1.26 -5.05 113.70 115.90 1x4b s SER 6 Ca 0.37 -1.29 0.07 0.00 1.31 0.00 0.00 55.95 56.41 1x4b s SER 6 Cb -0.09 1.54 0.31 0.00 0.21 0.00 0.00 66.02 67.99 1x4b s SER 6 CO 0.21 -0.05 0.80 0.61 0.41 0.00 0.00 173.24 175.21 1x4b n GLY 7 N 3.04 4.60 3.57 3.44 0.00 -1.26 -5.06 105.19 113.52 1x4b n GLY 7 Ca 0.16 -2.35 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 1x4b n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4b s MET 8 N -2.73 1.48 -0.09 1.61 -1.94 -1.26 -5.07 119.30 111.30 1x4b s MET 8 Ca 0.43 -1.13 -0.06 0.00 -1.71 0.00 0.00 55.69 53.22 1x4b s MET 8 Cb 0.26 0.48 0.02 0.00 2.01 0.00 0.00 34.83 37.61 1x4b s MET 8 CO -0.10 -0.62 0.13 0.39 -0.01 0.00 0.00 175.02 174.81 1x4b n GLU 9 N -0.36 -3.40 -4.07 2.03 1.02 -1.26 -4.98 120.64 109.63 1x4b n GLU 9 Ca -0.04 2.61 -0.33 0.00 -0.02 0.00 0.00 57.16 59.37 1x4b n GLU 9 Cb 0.62 -3.44 -0.15 0.00 -0.02 0.00 0.00 31.44 28.44 1x4b n GLU 9 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x4b s LYS 10 N -0.41 2.78 0.38 3.49 2.20 -1.26 -5.11 119.74 121.81 1x4b s LYS 10 Ca -0.15 -0.98 0.08 0.00 -0.36 0.00 0.00 55.97 54.56 1x4b s LYS 10 Cb 0.01 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.54 1x4b s LYS 10 CO 0.39 -0.34 0.17 0.95 -0.36 0.00 0.00 175.35 176.16 1x4b s THR 11 N 1.25 2.67 -0.30 3.43 -4.23 -1.26 -5.13 115.64 112.08 1x4b s THR 11 Ca 0.01 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 1x4b s THR 11 Cb -0.16 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 70.89 1x4b s THR 11 CO -0.09 -0.10 1.04 -0.22 -0.54 0.00 0.00 174.62 174.71 1x4b s LEU 12 N -3.88 -0.49 0.15 4.79 1.98 -1.26 -5.17 118.68 114.80 1x4b s LEU 12 Ca 0.40 0.44 0.10 0.00 -2.89 0.00 0.00 54.13 52.18 1x4b s LEU 12 Cb 0.00 1.46 -0.04 0.00 0.66 0.00 0.00 46.19 48.27 1x4b s LEU 12 CO 0.23 -0.09 -0.22 -1.61 -1.89 0.00 0.00 176.35 172.77 1x4b s GLU 13 N 2.70 1.61 0.60 1.98 2.02 -1.26 -5.13 118.70 121.22 1x4b s GLU 13 Ca -0.00 -1.36 -0.13 0.00 0.02 0.00 0.00 54.97 53.49 1x4b s GLU 13 Cb -0.08 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1x4b s GLU 13 CO -0.14 0.44 1.03 0.99 0.02 0.00 0.00 175.26 177.60 1x4b s THR 14 N -1.36 4.36 0.12 3.63 2.01 -1.26 -5.08 115.64 118.06 1x4b s THR 14 Ca 0.19 0.92 0.06 0.00 0.31 0.00 0.00 61.69 63.17 1x4b s THR 14 Cb -0.09 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1x4b s THR 14 CO 0.09 -0.85 -0.14 0.68 -0.69 0.00 0.00 174.62 173.71 1x4b s VAL 15 N -2.88 1.37 1.07 3.82 -7.23 -1.26 -5.15 120.40 110.13 1x4b s VAL 15 Ca 0.58 -1.72 -0.17 0.00 -1.81 0.00 0.00 61.98 58.86 1x4b s VAL 15 Cb -0.12 -1.55 0.23 0.00 0.56 0.00 0.00 36.38 35.50 1x4b s VAL 15 CO 0.45 -0.40 1.21 -2.16 -0.31 0.00 0.00 175.10 173.89 1x4b s PRO 16 N -2.66 -0.17 -0.31 4.82 0.04 -1.26 -5.08 135.00 130.39 1x4b s PRO 16 Ca 0.09 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 60.85 1x4b s PRO 16 Cb -0.05 -1.73 0.19 0.00 0.04 0.00 0.00 34.50 32.94 1x4b s PRO 16 CO 0.03 -2.99 0.98 -0.48 0.04 0.00 0.00 177.00 174.59 1x4b s LEU 17 N -6.38 -0.57 0.00 -3.56 2.34 -1.26 -5.17 118.68 104.08 1x4b s LEU 17 Ca 0.72 -0.01 -0.29 0.00 0.06 0.00 0.00 54.13 54.61 1x4b s LEU 17 Cb -0.07 1.23 0.10 0.00 -0.56 0.00 0.00 46.19 46.88 1x4b s LEU 17 CO 0.54 -0.10 0.95 -1.61 -1.06 0.00 0.00 176.35 175.08 1x4b s GLU 18 N 2.73 0.81 0.14 1.48 0.41 -1.26 -5.13 118.70 117.88 1x4b s GLU 18 Ca 0.23 -0.34 -0.32 0.00 -0.41 0.00 0.00 54.97 54.13 1x4b s GLU 18 Cb -0.02 0.35 -0.18 0.00 -1.78 0.00 0.00 34.13 32.50 1x4b s GLU 18 CO -0.21 -0.36 0.74 -2.13 -0.49 0.00 0.00 175.26 172.81 1x4b n ARG 19 N -0.28 0.12 -3.98 1.61 0.63 -1.26 -4.95 116.66 108.55 1x4b n ARG 19 Ca -0.07 0.04 -0.10 0.00 -0.92 0.00 0.00 57.85 56.80 1x4b n ARG 19 Cb 0.61 -1.24 -0.04 0.00 0.45 0.00 0.00 32.46 32.25 1x4b n ARG 19 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1x4b s LYS 20 N -0.68 1.74 0.67 -0.14 2.20 -1.26 -5.16 119.74 117.10 1x4b s LYS 20 Ca 0.72 -1.36 -0.10 0.00 -0.36 0.00 0.00 55.97 54.88 1x4b s LYS 20 Cb -1.02 0.50 0.15 0.00 -1.51 0.00 0.00 37.83 35.95 1x4b s LYS 20 CO 0.56 -0.74 0.34 1.63 -0.36 0.00 0.00 175.35 176.78 1x4b n LYS 21 N -0.45 -1.96 -2.74 4.03 4.76 -1.26 -4.66 118.16 115.89 1x4b n LYS 21 Ca -0.02 -0.58 -0.01 0.00 -2.87 0.00 0.00 58.31 54.83 1x4b n LYS 21 Cb 0.61 -0.92 -0.01 0.00 -1.84 0.00 0.00 35.03 32.87 1x4b n LYS 21 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1x4b n ARG 22 N -2.41 -3.48 -0.09 1.97 3.00 -1.26 -4.95 116.66 109.44 1x4b n ARG 22 Ca 0.05 2.77 -0.23 0.00 -0.00 0.00 0.00 57.85 60.45 1x4b n ARG 22 Cb 0.24 -4.85 -0.12 0.00 0.00 0.00 0.00 32.46 27.72 1x4b n ARG 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x4b n GLU 23 N 1.05 0.64 -0.10 -0.14 4.71 -1.26 -4.22 120.64 121.32 1x4b n GLU 23 Ca -0.10 0.32 -0.15 0.00 -0.01 0.00 0.00 57.16 57.22 1x4b n GLU 23 Cb 0.20 -1.62 -0.05 0.00 -1.01 0.00 0.00 31.44 28.96 1x4b n GLU 23 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1x4b n LYS 24 N -3.88 0.54 -0.25 3.49 3.00 -1.26 -4.30 118.16 115.49 1x4b n LYS 24 Ca -0.41 0.29 0.32 0.00 -0.00 0.00 0.00 58.31 58.51 1x4b n LYS 24 Cb 0.90 -1.50 0.60 0.00 0.00 0.00 0.00 35.03 35.03 1x4b n LYS 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1x4b h GLU 25 N -1.00 0.00 0.00 1.64 4.81 -1.98 1.49 114.58 119.53 1x4b h GLU 25 Ca -0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1x4b h GLU 25 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1x4b h GLU 25 CO -0.13 0.00 0.21 -0.56 -0.73 0.00 0.00 179.01 177.81 1x4b h GLN 26 N 0.00 0.00 0.08 1.92 3.07 -1.75 1.50 115.11 119.94 1x4b h GLN 26 Ca 0.52 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 59.04 1x4b h GLN 26 Cb 2.65 0.00 0.02 0.00 0.08 0.00 0.00 27.48 30.23 1x4b h GLN 26 CO -0.01 0.00 -0.91 0.74 0.09 0.00 0.00 178.83 178.75 1x4b h PHE 27 N 0.00 0.75 -0.01 0.06 -1.00 0.18 -3.29 116.94 113.64 1x4b h PHE 27 Ca 0.00 -0.47 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1x4b h PHE 27 Cb 0.42 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1x4b h PHE 27 CO 0.00 1.32 -0.56 0.54 -1.61 0.00 0.00 178.31 178.00 1x4b n ARG 28 N -4.03 0.53 -3.10 1.51 1.74 0.30 -4.82 116.66 108.79 1x4b n ARG 28 Ca -0.13 -0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 56.15 1x4b n ARG 28 Cb 0.83 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 1x4b n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1x4b s LYS 29 N -2.74 3.67 -0.11 5.56 2.20 0.49 -2.96 119.74 125.85 1x4b s LYS 29 Ca 0.16 0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 55.80 1x4b s LYS 29 Cb 0.18 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1x4b s LYS 29 CO 0.66 -0.76 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.38 1x4b s LEU 30 N 2.75 3.53 -0.44 5.43 1.02 -0.56 -4.05 118.68 126.36 1x4b s LEU 30 Ca 0.25 0.07 -0.20 0.00 0.02 0.00 0.00 54.13 54.27 1x4b s LEU 30 Cb -0.14 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.27 1x4b s LEU 30 CO 0.15 0.30 0.60 0.12 0.02 0.00 0.00 176.35 177.54 1x4b s PHE 31 N -0.43 3.08 -0.06 0.29 2.19 0.80 -0.49 117.98 123.35 1x4b s PHE 31 Ca 0.08 -0.18 -0.30 0.00 0.33 0.00 0.00 56.93 56.86 1x4b s PHE 31 Cb -0.12 -3.27 -0.02 0.00 -1.31 0.00 0.00 43.02 38.29 1x4b s PHE 31 CO 0.02 -0.86 1.05 0.42 1.83 0.00 0.00 175.22 177.69 1x4b s ILE 32 N 2.66 4.65 -0.20 3.12 -1.09 0.41 0.40 121.20 131.15 1x4b s ILE 32 Ca 0.19 1.92 -0.00 0.00 -2.23 0.00 0.00 60.65 60.53 1x4b s ILE 32 Cb -0.15 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1x4b s ILE 32 CO 0.17 0.04 -0.05 -0.83 -1.23 0.00 0.00 174.94 173.05 1x4b s GLY 33 N 1.15 1.08 0.00 6.18 0.00 -0.28 -1.78 107.32 113.68 1x4b s GLY 33 Ca 0.51 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1x4b s GLY 33 CO 0.22 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.90 1x4b n GLY 34 N 4.80 1.07 0.00 0.20 0.00 -0.90 0.37 105.19 110.73 1x4b n GLY 34 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1x4b n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4b n LEU 35 N 0.00 0.00 0.00 0.99 4.32 -0.56 -3.92 117.00 117.83 1x4b n LEU 35 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1x4b n LEU 35 Cb 0.00 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1x4b n LEU 35 CO 0.00 -0.06 0.00 -0.24 -1.22 0.00 0.00 177.39 175.87 1x4b n SER 36 N -1.44 -5.10 0.00 -1.43 2.88 -1.26 -0.82 113.62 106.44 1x4b n SER 36 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1x4b n SER 36 Cb 0.27 -2.61 0.00 0.00 -0.75 0.00 0.00 64.21 61.12 1x4b n SER 36 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x4b n PHE 37 N -2.29 0.00 -0.12 0.66 3.72 -1.26 -4.78 117.46 113.39 1x4b n PHE 37 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1x4b n PHE 37 Cb 0.35 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1x4b n PHE 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x4b n GLU 38 N -2.00 0.54 -1.53 -1.08 1.02 -0.63 -4.28 120.64 112.68 1x4b n GLU 38 Ca 0.00 0.23 -0.33 0.00 -0.02 0.00 0.00 57.16 57.04 1x4b n GLU 38 Cb 0.00 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1x4b n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x4b n THR 39 N -4.22 -0.03 -1.43 2.62 -1.04 -0.00 -4.89 114.28 105.29 1x4b n THR 39 Ca -0.44 -0.43 -0.08 0.00 -2.04 0.00 0.00 64.05 61.07 1x4b n THR 39 Cb 0.79 -1.49 0.05 0.00 -1.82 0.00 0.00 70.33 67.86 1x4b n THR 39 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4b n THR 40 N 7.60 0.00 0.11 12.58 -2.24 -1.26 -4.62 114.28 126.46 1x4b n THR 40 Ca 0.53 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1x4b n THR 40 Cb 0.29 -1.77 -0.06 0.00 -2.10 0.00 0.00 70.33 66.69 1x4b n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x4b h GLU 41 N 0.00 -0.54 0.00 -0.78 5.08 -1.91 0.22 114.58 116.65 1x4b h GLU 41 Ca -0.11 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1x4b h GLU 41 Cb 0.33 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1x4b h GLU 41 CO 0.09 -0.36 0.00 -1.91 -1.00 0.00 0.00 179.01 175.83 1x4b n GLU 42 N -5.43 0.00 -0.37 2.33 2.13 -1.26 -0.83 120.64 117.21 1x4b n GLU 42 Ca -0.07 0.58 -0.07 0.00 0.66 0.00 0.00 57.16 58.26 1x4b n GLU 42 Cb 0.34 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.51 1x4b n GLU 42 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1x4b n SER 43 N -2.15 -0.86 -0.14 4.31 7.64 -1.21 0.19 113.62 121.41 1x4b n SER 43 Ca 0.00 1.61 -0.13 0.00 1.01 0.00 0.00 58.87 61.36 1x4b n SER 43 Cb 0.00 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 1x4b n SER 43 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1x4b h LEU 44 N 0.00 -1.81 -0.17 -3.43 5.85 -0.46 -0.65 115.31 114.64 1x4b h LEU 44 Ca 0.19 0.24 0.03 0.00 0.84 0.00 0.00 57.88 59.19 1x4b h LEU 44 Cb 0.42 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1x4b h LEU 44 CO -0.87 -0.39 -0.04 0.03 -0.34 0.00 0.00 178.44 176.83 1x4b h ARG 45 N -0.38 0.00 -1.96 1.25 3.08 0.16 0.14 114.38 116.67 1x4b h ARG 45 Ca 0.07 -0.00 0.57 0.00 0.07 0.00 0.00 59.98 60.69 1x4b h ARG 45 Cb 0.57 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 1x4b h ARG 45 CO -0.58 0.00 1.42 -0.97 -1.07 0.00 0.00 179.97 178.77 1x4b h ASN 46 N 0.00 0.00 0.05 7.04 -1.24 0.37 1.94 115.58 123.74 1x4b h ASN 46 Ca 0.08 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.73 1x4b h ASN 46 Cb 0.13 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 1x4b h ASN 46 CO -0.18 0.00 -2.08 0.00 -1.29 0.00 0.00 177.43 173.88 1x4b n TYR 47 N -3.92 0.68 0.30 0.67 9.36 -0.12 -4.18 117.16 119.94 1x4b n TYR 47 Ca 0.44 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.85 1x4b n TYR 47 Cb 2.01 -1.08 0.13 0.00 -0.63 0.00 0.00 39.34 39.76 1x4b n TYR 47 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1x4b n TYR 48 N -3.72 0.82 0.28 2.98 4.01 0.28 -3.46 117.16 118.34 1x4b n TYR 48 Ca -0.39 -0.40 0.11 0.00 -0.16 0.00 0.00 57.90 57.05 1x4b n TYR 48 Cb 0.94 -0.30 -0.14 0.00 -0.31 0.00 0.00 39.34 39.54 1x4b n TYR 48 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1x4b n GLU 49 N 0.16 0.47 0.09 -0.72 1.02 0.59 -3.93 120.64 118.33 1x4b n GLU 49 Ca 0.12 -0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1x4b n GLU 49 Cb 0.66 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 1x4b n GLU 49 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1x4b h GLN 50 N 0.00 -0.30 -0.97 3.49 4.20 -1.79 -3.29 115.11 116.46 1x4b h GLN 50 Ca 0.00 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.91 1x4b h GLN 50 Cb 0.86 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.60 1x4b h GLN 50 CO 0.00 -0.20 0.57 -1.49 -0.67 0.00 0.00 178.83 177.04 1x4b h TRP 51 N -0.90 1.00 -1.46 2.96 6.55 -1.80 -3.45 115.95 118.85 1x4b h TRP 51 Ca -0.03 0.03 0.33 0.00 0.95 0.00 0.00 58.89 60.17 1x4b h TRP 51 Cb 0.24 -0.30 -0.12 0.00 -0.86 0.00 0.00 29.16 28.12 1x4b h TRP 51 CO 0.01 0.22 0.84 0.20 -1.05 0.00 0.00 178.44 178.66 1x4b s GLY 52 N -3.69 -0.40 -0.16 1.49 0.00 -1.24 -4.45 107.32 98.87 1x4b s GLY 52 Ca -0.11 0.67 -0.18 0.00 0.00 0.00 0.00 44.72 45.09 1x4b s GLY 52 CO 0.80 0.47 0.48 0.54 0.00 0.00 0.00 173.10 175.39 1x4b s LYS 53 N -2.37 4.27 -0.47 2.90 1.02 -1.26 -3.34 119.74 120.49 1x4b s LYS 53 Ca 0.15 0.41 -0.28 0.00 0.02 0.00 0.00 55.97 56.27 1x4b s LYS 53 Cb 0.05 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1x4b s LYS 53 CO -0.04 0.02 1.07 -0.51 -0.92 0.00 0.00 175.35 174.97 1x4b s LEU 54 N 1.08 3.76 0.65 3.17 1.43 -1.26 -1.41 118.68 126.11 1x4b s LEU 54 Ca 0.24 0.36 0.41 0.00 -1.03 0.00 0.00 54.13 54.11 1x4b s LEU 54 Cb -0.15 -3.43 2.26 0.00 0.03 0.00 0.00 46.19 44.89 1x4b s LEU 54 CO 0.10 -1.18 2.32 0.71 0.23 0.00 0.00 176.35 178.53 1x4b h THR 55 N 6.17 0.11 -1.94 5.49 1.35 0.18 -3.41 112.91 120.87 1x4b h THR 55 Ca -0.23 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.67 1x4b h THR 55 Cb 1.07 0.97 -0.21 0.00 -1.73 0.00 0.00 68.15 68.24 1x4b h THR 55 CO 1.09 0.00 0.01 -0.62 -0.25 0.00 0.00 175.52 175.75 1x4b s ASP 56 N -5.30 -0.96 -0.11 5.36 -1.08 -1.21 -5.00 116.67 108.37 1x4b s ASP 56 Ca -0.05 1.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1x4b s ASP 56 Cb 0.13 1.63 0.02 0.00 -1.46 0.00 0.00 42.92 43.24 1x4b s ASP 56 CO 0.43 -0.22 -0.10 0.00 0.52 0.00 0.00 175.17 175.80 1x4b s VAL 58 N 1.42 1.30 -0.16 0.00 1.01 -0.51 -4.93 120.40 118.52 1x4b s VAL 58 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1x4b s VAL 58 Cb -0.13 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1x4b s VAL 58 CO -0.06 0.37 -0.13 0.54 0.00 0.00 0.00 175.10 175.82 1x4b s VAL 59 N -0.34 1.61 0.39 2.92 0.11 -1.26 0.42 120.40 124.25 1x4b s VAL 59 Ca 0.05 -0.75 -0.26 0.00 -2.93 0.00 0.00 61.98 58.10 1x4b s VAL 59 Cb -0.07 -1.56 -0.09 0.00 -1.53 0.00 0.00 36.38 33.14 1x4b s VAL 59 CO -0.00 0.38 1.23 -0.04 -3.33 0.00 0.00 175.10 173.34 1x4b s MET 60 N 1.45 4.09 -0.01 1.54 -1.94 -0.29 -4.90 119.30 119.24 1x4b s MET 60 Ca 0.03 1.99 0.01 0.00 -1.71 0.00 0.00 55.69 56.02 1x4b s MET 60 Cb -0.14 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1x4b s MET 60 CO -0.10 -0.34 -0.04 1.03 -0.01 0.00 0.00 175.02 175.56 1x4b s ARG 61 N -2.17 0.38 -0.01 2.03 0.52 -1.26 0.13 118.95 118.56 1x4b s ARG 61 Ca 0.55 -0.12 -0.35 0.00 -0.52 0.00 0.00 55.73 55.30 1x4b s ARG 61 Cb -0.34 -0.39 -0.13 0.00 0.52 0.00 0.00 34.95 34.60 1x4b s ARG 61 CO 0.44 0.05 1.71 -3.47 0.02 0.00 0.00 175.30 174.05 1x4b n ASP 62 N 3.22 3.01 0.09 0.23 -0.08 0.51 -4.75 116.55 118.78 1x4b n ASP 62 Ca -0.16 1.04 0.12 0.00 -1.51 0.00 0.00 54.79 54.28 1x4b n ASP 62 Cb 0.57 -1.34 0.45 0.00 2.34 0.00 0.00 41.12 43.14 1x4b n ASP 62 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x4b n PRO 63 N 5.01 0.17 -0.10 -0.67 -0.04 -1.26 0.17 135.00 138.28 1x4b n PRO 63 Ca 0.21 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.77 1x4b n PRO 63 Cb 0.26 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 31.88 1x4b n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4b n ALA 64 N -1.71 1.59 0.41 0.55 0.00 -1.26 -4.47 120.51 115.62 1x4b n ALA 64 Ca 0.04 -0.85 0.12 0.00 0.00 0.00 0.00 53.44 52.76 1x4b n ALA 64 Cb 0.31 0.10 0.21 0.00 0.00 0.00 0.00 19.45 20.07 1x4b n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4b h SER 65 N -0.25 0.00 -5.60 0.00 0.87 -1.94 -3.47 113.55 103.17 1x4b h SER 65 Ca -0.47 -0.05 -0.42 0.00 -1.23 0.00 0.00 61.79 59.61 1x4b h SER 65 Cb 1.62 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.61 1x4b h SER 65 CO -0.15 0.03 -0.67 0.29 -0.53 0.00 0.00 176.83 175.79 1x4b n LYS 66 N -2.53 -5.79 -4.04 2.24 4.76 0.44 -4.94 118.16 108.31 1x4b n LYS 66 Ca 0.04 0.73 -0.13 0.00 -2.87 0.00 0.00 58.31 56.07 1x4b n LYS 66 Cb 0.48 -5.64 -0.13 0.00 -1.84 0.00 0.00 35.03 27.91 1x4b n LYS 66 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1x4b s ARG 67 N -6.22 0.34 0.05 1.97 1.81 -1.14 -4.86 118.95 110.91 1x4b s ARG 67 Ca 0.52 -0.39 -0.38 0.00 -1.72 0.00 0.00 55.73 53.76 1x4b s ARG 67 Cb -0.25 -0.19 -0.18 0.00 -0.45 0.00 0.00 34.95 33.88 1x4b s ARG 67 CO 0.64 0.04 1.15 0.43 -0.68 0.00 0.00 175.30 176.88 1x4b n SER 68 N 2.30 0.61 0.23 0.23 7.64 -1.26 0.19 113.62 123.56 1x4b n SER 68 Ca -0.18 1.14 0.08 0.00 1.01 0.00 0.00 58.87 60.92 1x4b n SER 68 Cb 0.57 -1.04 0.53 0.00 -1.01 0.00 0.00 64.21 63.27 1x4b n SER 68 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x4b h ARG 69 N 3.49 0.00 0.00 1.43 2.47 0.72 -3.42 114.38 119.07 1x4b h ARG 69 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1x4b h ARG 69 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1x4b h ARG 69 CO 0.69 0.23 0.00 0.41 0.56 0.00 0.00 179.97 181.86 1x4b n GLY 70 N -0.59 1.36 3.48 0.04 0.00 -1.26 -4.75 105.19 103.47 1x4b n GLY 70 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1x4b n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x4b s PHE 71 N -2.00 -0.57 0.00 1.61 -0.12 -1.26 -1.50 117.98 114.14 1x4b s PHE 71 Ca 0.00 0.71 0.00 0.00 -0.05 0.00 0.00 56.93 57.59 1x4b s PHE 71 Cb 0.00 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 1x4b s PHE 71 CO 0.00 -0.69 0.00 0.41 -0.05 0.00 0.00 175.22 174.89 1x4b n GLY 72 N 0.29 3.24 3.10 1.99 0.00 -0.73 -1.14 105.19 111.95 1x4b n GLY 72 Ca -0.17 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 1x4b n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4b s PHE 73 N -3.32 1.05 -0.14 1.61 0.08 0.17 -0.45 117.98 116.98 1x4b s PHE 73 Ca 0.00 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1x4b s PHE 73 Cb 0.00 -0.63 0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1x4b s PHE 73 CO 0.00 0.01 -0.02 0.14 -0.10 0.00 0.00 175.22 175.25 1x4b s VAL 74 N -0.77 0.78 -0.56 -0.44 -7.23 0.35 -1.43 120.40 111.11 1x4b s VAL 74 Ca 0.00 -0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.65 1x4b s VAL 74 Cb -0.07 -1.01 0.14 0.00 0.56 0.00 0.00 36.38 36.00 1x4b s VAL 74 CO 0.01 0.12 0.50 -0.89 -0.31 0.00 0.00 175.10 174.53 1x4b s THR 75 N 1.78 5.09 0.76 5.32 2.01 -0.15 -1.49 115.64 128.96 1x4b s THR 75 Ca 0.02 -1.65 -0.13 0.00 0.31 0.00 0.00 61.69 60.24 1x4b s THR 75 Cb -0.15 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.16 1x4b s THR 75 CO -0.07 -0.87 1.15 -0.36 -0.69 0.00 0.00 174.62 173.78 1x4b s PHE 76 N 1.41 2.21 -0.02 4.92 0.08 -1.15 0.19 117.98 125.61 1x4b s PHE 76 Ca 0.05 1.62 -0.25 0.00 0.12 0.00 0.00 56.93 58.47 1x4b s PHE 76 Cb -0.27 -3.29 -0.19 0.00 -0.57 0.00 0.00 43.02 38.69 1x4b s PHE 76 CO 0.01 -2.26 1.20 0.66 -0.10 0.00 0.00 175.22 174.73 1x4b h SER 77 N -0.68 -0.09 -0.87 1.36 4.64 -1.60 -3.42 113.55 112.89 1x4b h SER 77 Ca -0.46 -0.41 -0.58 0.00 -0.47 0.00 0.00 61.79 59.87 1x4b h SER 77 Cb 1.27 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 1x4b h SER 77 CO 0.49 0.39 -0.38 -0.55 -0.87 0.00 0.00 176.83 175.92 1x4b s SER 78 N -5.56 4.57 0.00 4.97 0.15 -1.26 -5.05 113.70 111.53 1x4b s SER 78 Ca -0.15 -1.20 0.11 0.00 0.70 0.00 0.00 55.95 55.40 1x4b s SER 78 Cb 0.02 0.12 -0.23 0.00 -1.71 0.00 0.00 66.02 64.22 1x4b s SER 78 CO 0.62 -0.90 0.83 -0.03 1.20 0.00 0.00 173.24 174.96 1x4b h MET 79 N 1.00 0.01 0.62 5.44 4.05 -2.00 -3.33 114.93 120.72 1x4b h MET 79 Ca -0.39 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 58.99 1x4b h MET 79 Cb 1.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1x4b h MET 79 CO 0.62 0.64 -0.37 0.00 0.23 0.00 0.00 176.91 178.03 1x4b h ALA 80 N 0.98 -1.19 -0.53 0.39 0.00 -1.97 0.40 119.26 117.34 1x4b h ALA 80 Ca -0.21 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1x4b h ALA 80 Cb 1.95 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 20.14 1x4b h ALA 80 CO 0.09 -1.16 -0.43 0.93 0.00 0.00 0.00 179.25 178.68 1x4b h GLU 81 N -0.92 -0.15 -0.81 0.00 5.08 -1.78 0.50 114.58 116.50 1x4b h GLU 81 Ca -0.08 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.44 1x4b h GLU 81 Cb 0.74 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 1x4b h GLU 81 CO 0.09 -0.10 0.36 -0.24 -1.00 0.00 0.00 179.01 178.12 1x4b h VAL 82 N -0.15 0.66 -0.87 3.13 3.04 -1.65 0.59 116.25 120.99 1x4b h VAL 82 Ca 0.09 -0.17 0.12 0.00 -1.01 0.00 0.00 66.70 65.72 1x4b h VAL 82 Cb 0.38 0.11 -0.07 0.00 -2.01 0.00 0.00 31.29 29.70 1x4b h VAL 82 CO -0.58 0.09 0.56 0.44 -1.01 0.00 0.00 177.57 177.08 1x4b h ASP 83 N 0.50 0.71 -0.29 3.17 3.32 0.43 0.62 116.42 124.88 1x4b h ASP 83 Ca 0.45 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.37 1x4b h ASP 83 Cb 0.70 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1x4b h ASP 83 CO -0.41 0.39 -0.44 0.00 -1.72 0.00 0.00 179.24 177.07 1x4b h ALA 84 N 1.58 0.45 0.00 3.45 0.00 0.37 -2.60 119.26 122.51 1x4b h ALA 84 Ca 0.42 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1x4b h ALA 84 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1x4b h ALA 84 CO -0.18 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 1x4b h ALA 85 N 0.69 1.46 -0.50 0.00 0.00 0.13 -0.66 119.26 120.37 1x4b h ALA 85 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1x4b h ALA 85 Cb 1.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1x4b h ALA 85 CO 0.10 0.36 -0.14 0.52 0.00 0.00 0.00 179.25 180.09 1x4b h MET 86 N 0.00 0.95 -0.82 0.00 2.07 0.41 -3.01 114.93 114.54 1x4b h MET 86 Ca -0.00 -0.36 -0.57 0.00 -2.07 0.00 0.00 59.70 56.70 1x4b h MET 86 Cb 0.52 -0.06 -0.34 0.00 -1.87 0.00 0.00 31.60 29.85 1x4b h MET 86 CO 0.04 1.02 -0.03 0.00 1.07 0.00 0.00 176.91 179.01 1x4b n ALA 87 N -2.50 5.52 -0.02 6.32 0.00 -0.93 -4.38 120.51 124.51 1x4b n ALA 87 Ca 0.01 -3.59 0.01 0.00 0.00 0.00 0.00 53.44 49.87 1x4b n ALA 87 Cb 0.41 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 1x4b n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4b n ALA 88 N -0.84 2.14 -1.15 0.00 0.00 -0.30 -4.97 120.51 115.38 1x4b n ALA 88 Ca 0.51 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 1x4b n ALA 88 Cb 0.86 -0.19 0.03 0.00 0.00 0.00 0.00 19.45 20.16 1x4b n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x4b n ARG 89 N -2.03 0.04 -2.05 0.00 1.74 -1.26 -4.61 116.66 108.50 1x4b n ARG 89 Ca -0.07 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.71 1x4b n ARG 89 Cb 0.46 -1.15 0.01 0.00 -1.02 0.00 0.00 32.46 30.76 1x4b n ARG 89 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x4b s PRO 90 N -1.68 3.37 -0.28 5.56 0.04 -1.26 -5.13 135.00 135.61 1x4b s PRO 90 Ca 0.52 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 1x4b s PRO 90 Cb -0.36 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1x4b s PRO 90 CO 0.71 -0.76 0.14 -1.01 0.04 0.00 0.00 177.00 176.12 1x4b s HIS 91 N -2.53 3.16 -0.20 0.56 3.76 -1.21 -5.04 115.29 113.80 1x4b s HIS 91 Ca 0.62 -0.22 -0.06 0.00 -0.15 0.00 0.00 55.06 55.26 1x4b s HIS 91 Cb -0.15 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 1x4b s HIS 91 CO 0.38 -0.30 0.03 -1.54 -0.85 0.00 0.00 174.74 172.46 1x4b s SER 92 N 1.68 5.10 -0.06 1.40 1.04 -1.26 -0.24 113.70 121.36 1x4b s SER 92 Ca 0.06 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 1x4b s SER 92 Cb -0.16 -1.88 0.03 0.00 0.10 0.00 0.00 66.02 64.11 1x4b s SER 92 CO 0.07 0.08 -0.02 -0.63 0.98 0.00 0.00 173.24 173.72 1x4b s ILE 93 N 0.91 0.50 -1.74 -1.02 1.01 -0.08 -4.75 121.20 116.03 1x4b s ILE 93 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1x4b s ILE 93 Cb -0.14 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1x4b s ILE 93 CO 0.02 0.26 0.00 -0.67 0.00 0.00 0.00 174.94 174.55 1x4b n ASP 94 N 4.70 -5.78 0.00 3.58 -0.08 -1.26 0.21 116.55 117.92 1x4b n ASP 94 Ca -0.14 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1x4b n ASP 94 Cb 0.50 -4.82 0.00 0.00 2.34 0.00 0.00 41.12 39.15 1x4b n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4b n GLY 95 N -1.00 2.43 3.86 0.27 0.00 -1.26 -5.01 105.19 104.48 1x4b n GLY 95 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1x4b n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4b s ARG 96 N -0.12 3.69 -0.88 1.61 1.81 0.13 -5.00 118.95 120.20 1x4b s ARG 96 Ca 0.00 0.77 -0.07 0.00 -1.72 0.00 0.00 55.73 54.71 1x4b s ARG 96 Cb 0.00 -2.11 0.22 0.00 -0.45 0.00 0.00 34.95 32.61 1x4b s ARG 96 CO 0.00 -0.46 0.79 0.08 -0.68 0.00 0.00 175.30 175.03 1x4b s VAL 97 N -3.00 4.94 0.75 3.52 1.01 -1.26 -0.90 120.40 125.46 1x4b s VAL 97 Ca 0.56 -3.26 -0.09 0.00 0.00 0.00 0.00 61.98 59.19 1x4b s VAL 97 Cb -0.11 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1x4b s VAL 97 CO 0.47 -1.06 1.08 0.68 0.00 0.00 0.00 175.10 176.28 1x4b s VAL 98 N -0.73 2.17 -0.24 2.92 -7.23 0.67 -4.85 120.40 113.11 1x4b s VAL 98 Ca 0.24 -0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 60.20 1x4b s VAL 98 Cb -0.11 -2.99 0.13 0.00 0.56 0.00 0.00 36.38 33.97 1x4b s VAL 98 CO -0.09 0.00 0.39 -1.83 -0.31 0.00 0.00 175.10 173.26 1x4b s GLU 99 N -5.38 0.35 0.65 4.82 -1.05 0.16 -3.29 118.70 114.95 1x4b s GLU 99 Ca 0.61 0.60 -0.13 0.00 -0.15 0.00 0.00 54.97 55.91 1x4b s GLU 99 Cb -0.10 -0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.21 1x4b s GLU 99 CO 0.46 -0.59 1.05 -1.25 0.95 0.00 0.00 175.26 175.88 1x4b s PRO 100 N 2.56 3.14 0.12 -4.83 0.04 -1.26 -1.12 135.00 133.64 1x4b s PRO 100 Ca 0.11 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.23 1x4b s PRO 100 Cb -0.15 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1x4b s PRO 100 CO -0.15 -0.94 -0.07 0.15 0.04 0.00 0.00 177.00 176.02 1x4b s LYS 101 N -4.63 0.92 0.33 4.56 -0.14 0.16 -4.87 119.74 116.07 1x4b s LYS 101 Ca 0.60 -1.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.83 1x4b s LYS 101 Cb -0.15 -0.34 0.55 0.00 -1.68 0.00 0.00 37.83 36.21 1x4b s LYS 101 CO 0.47 0.01 1.97 0.00 -0.76 0.00 0.00 175.35 177.04 1x4b h ARG 102 N 2.89 0.91 -2.33 1.68 3.08 -1.86 0.23 114.38 118.98 1x4b h ARG 102 Ca -0.36 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1x4b h ARG 102 Cb 1.17 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 31.05 1x4b h ARG 102 CO 0.64 0.63 -0.08 0.00 -1.07 0.00 0.00 179.97 180.09 1x4b n ALA 103 N -2.43 -0.21 -2.67 0.04 0.00 -1.26 -3.97 120.51 110.01 1x4b n ALA 103 Ca 0.07 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1x4b n ALA 103 Cb 0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 1x4b n ALA 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x4b s VAL 104 N -3.04 1.33 -0.06 0.00 -7.23 -1.26 -4.82 120.40 105.32 1x4b s VAL 104 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1x4b s VAL 104 Cb -0.00 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1x4b s VAL 104 CO 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.83 1x4b h ALA 105 N 1.58 0.00 -3.73 1.32 0.00 -1.97 -3.47 119.26 112.99 1x4b h ALA 105 Ca -0.43 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 53.83 1x4b h ALA 105 Cb 1.28 0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.85 1x4b h ALA 105 CO 0.74 0.09 -0.82 1.03 0.00 0.00 0.00 179.25 180.29 1x4b s ARG 106 N -1.40 1.56 0.13 0.00 0.52 -1.26 -4.98 118.95 113.53 1x4b s ARG 106 Ca -0.03 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 1x4b s ARG 106 Cb 0.00 -1.35 -0.08 0.00 0.52 0.00 0.00 34.95 34.04 1x4b s ARG 106 CO 0.04 0.14 1.41 -2.00 0.02 0.00 0.00 175.30 174.92 1x4b s GLU 107 N 0.27 4.31 -0.22 3.54 2.12 -1.26 -4.99 118.70 122.47 1x4b s GLU 107 Ca -0.07 2.13 -0.28 0.00 0.36 0.00 0.00 54.97 57.11 1x4b s GLU 107 Cb -0.12 -3.22 0.14 0.00 0.26 0.00 0.00 34.13 31.19 1x4b s GLU 107 CO 0.02 -0.45 1.10 -2.00 -0.54 0.00 0.00 175.26 173.40 1x4b s GLU 108 N 0.97 0.44 0.72 4.30 2.56 -1.26 -5.15 118.70 121.28 1x4b s GLU 108 Ca 0.65 0.24 -0.16 0.00 0.00 0.00 0.00 54.97 55.69 1x4b s GLU 108 Cb -0.38 0.21 -0.03 0.00 2.00 0.00 0.00 34.13 35.93 1x4b s GLU 108 CO 0.31 -0.11 0.61 0.45 -0.56 0.00 0.00 175.26 175.96 1x4b n SER 109 N 1.17 -0.90 0.00 -1.70 2.88 -1.26 -4.86 113.62 108.95 1x4b n SER 109 Ca -0.09 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1x4b n SER 109 Cb 0.57 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1x4b n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4b n GLY 110 N 1.54 -0.38 2.46 0.46 0.00 -1.26 -5.13 105.19 102.88 1x4b n GLY 110 Ca 0.11 0.53 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 1x4b n GLY 110 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4b n SER 111 N 0.00 -5.91 -2.71 1.61 7.64 -1.26 -5.05 113.62 107.94 1x4b n SER 111 Ca 0.00 1.68 -0.05 0.00 1.01 0.00 0.00 58.87 61.51 1x4b n SER 111 Cb 0.00 -5.28 0.04 0.00 -1.01 0.00 0.00 64.21 57.96 1x4b n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4b n GLY 112 N 1.81 -1.06 3.81 0.23 0.00 -1.26 -5.16 105.19 103.57 1x4b n GLY 112 Ca -0.17 0.78 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 1x4b n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4b s PRO 113 N 0.71 3.18 -0.16 1.61 0.04 -1.26 -5.07 135.00 134.05 1x4b s PRO 113 Ca 0.28 1.07 -0.32 0.00 0.04 0.00 0.00 61.00 62.06 1x4b s PRO 113 Cb 0.13 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.79 1x4b s PRO 113 CO -0.11 -0.91 1.13 0.45 0.04 0.00 0.00 177.00 177.60 1x4b s SER 114 N -3.28 -0.20 -0.15 6.66 0.15 -1.26 -5.16 113.70 110.47 1x4b s SER 114 Ca 0.61 0.07 -0.07 0.00 0.70 0.00 0.00 55.95 57.26 1x4b s SER 114 Cb -0.15 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1x4b s SER 114 CO 0.45 -0.30 0.10 -0.44 1.20 0.00 0.00 173.24 174.25 1x4b s SER 115 N -1.92 6.00 0.00 5.45 0.01 -1.26 -5.30 113.70 116.68 1x4b s SER 115 Ca 0.07 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1x4b s SER 115 Cb -0.01 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x4b s SER 115 CO -0.05 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.51