#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5q s SER 2 N 0.00 -0.14 0.06 1.61 0.01 -1.26 -5.17 113.70 108.80 1x5q s SER 2 Ca 0.00 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.94 1x5q s SER 2 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 1x5q s SER 2 CO 0.00 -0.79 -0.06 -0.55 0.41 0.00 0.00 173.24 172.25 1x5q s SER 3 N -2.98 4.69 0.01 2.44 0.15 -1.26 -5.12 113.70 111.63 1x5q s SER 3 Ca 0.13 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1x5q s SER 3 Cb -0.00 -1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 63.26 1x5q s SER 3 CO 0.01 0.22 0.01 0.61 1.20 0.00 0.00 173.24 175.29 1x5q n GLY 4 N 1.03 4.01 3.05 9.45 0.00 -1.26 -5.16 105.19 116.31 1x5q n GLY 4 Ca -0.13 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 1x5q n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5q s SER 5 N -1.04 2.17 0.43 1.61 0.15 -1.26 -5.14 113.70 110.61 1x5q s SER 5 Ca 0.01 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.36 1x5q s SER 5 Cb 0.00 -0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1x5q s SER 5 CO 0.01 0.04 0.43 -0.55 1.20 0.00 0.00 173.24 174.36 1x5q s SER 6 N 0.78 5.15 0.40 5.45 0.15 -1.26 -5.14 113.70 119.24 1x5q s SER 6 Ca -0.12 -0.71 0.08 0.00 0.70 0.00 0.00 55.95 55.90 1x5q s SER 6 Cb -0.16 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.62 1x5q s SER 6 CO 0.02 -0.71 0.44 -0.83 1.20 0.00 0.00 173.24 173.35 1x5q s GLY 7 N -4.20 2.00 -0.33 9.45 0.00 -1.26 -5.11 107.32 107.88 1x5q s GLY 7 Ca 0.49 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1x5q s GLY 7 CO 0.29 -1.60 0.30 -0.54 0.00 0.00 0.00 173.10 171.55 1x5q s GLU 8 N -4.19 0.45 0.71 2.90 2.02 -1.26 -5.14 118.70 114.19 1x5q s GLU 8 Ca 0.49 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.78 1x5q s GLU 8 Cb -0.06 -0.82 0.02 0.00 0.10 0.00 0.00 34.13 33.37 1x5q s GLU 8 CO 0.30 -1.11 1.07 -1.25 0.02 0.00 0.00 175.26 174.28 1x5q s PRO 9 N 1.83 2.81 0.38 0.39 0.04 -1.26 -5.07 135.00 134.13 1x5q s PRO 9 Ca 0.13 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1x5q s PRO 9 Cb -0.16 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1x5q s PRO 9 CO -0.18 -1.18 0.78 0.00 0.04 0.00 0.00 177.00 176.46 1x5q s ALA 10 N -3.06 -0.69 0.51 8.56 0.00 -1.26 -5.15 121.76 120.66 1x5q s ALA 10 Ca 0.58 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 1x5q s ALA 10 Cb -0.14 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 1x5q s ALA 10 CO 0.55 -0.98 1.16 1.03 0.00 0.00 0.00 175.76 177.52 1x5q s ARG 11 N -2.36 3.49 -0.11 0.00 0.52 -1.26 -5.03 118.95 114.20 1x5q s ARG 11 Ca 0.16 1.73 0.02 0.00 -0.52 0.00 0.00 55.73 57.12 1x5q s ARG 11 Cb -0.05 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 1x5q s ARG 11 CO 0.12 -0.76 -0.20 0.42 0.02 0.00 0.00 175.30 174.90 1x5q s ILE 12 N -1.63 2.45 -0.16 1.52 1.01 -1.26 -5.10 121.20 118.03 1x5q s ILE 12 Ca 0.69 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1x5q s ILE 12 Cb -0.27 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.29 1x5q s ILE 12 CO 0.32 0.55 0.35 -1.83 0.00 0.00 0.00 174.94 174.33 1x5q s GLU 13 N 0.32 0.28 0.31 2.79 -1.05 -1.26 -5.13 118.70 114.96 1x5q s GLU 13 Ca -0.15 0.82 -0.19 0.00 -0.15 0.00 0.00 54.97 55.30 1x5q s GLU 13 Cb -0.17 0.08 -0.14 0.00 -0.44 0.00 0.00 34.13 33.46 1x5q s GLU 13 CO 0.07 -0.22 0.15 0.39 0.95 0.00 0.00 175.26 176.60 1x5q n GLU 14 N 4.88 0.00 -4.21 -4.83 1.02 -1.26 -4.79 120.64 111.45 1x5q n GLU 14 Ca -0.15 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.75 1x5q n GLU 14 Cb 0.52 -0.86 -0.08 0.00 -0.02 0.00 0.00 31.44 31.00 1x5q n GLU 14 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1x5q s GLU 15 N -0.86 2.20 0.18 3.49 -1.05 0.51 -4.79 118.70 118.38 1x5q s GLU 15 Ca 0.52 -1.75 -0.25 0.00 -0.15 0.00 0.00 54.97 53.34 1x5q s GLU 15 Cb -0.60 -2.00 -0.08 0.00 -0.44 0.00 0.00 34.13 31.02 1x5q s GLU 15 CO 0.53 0.03 0.77 -1.21 0.95 0.00 0.00 175.26 176.33 1x5q s GLU 16 N -3.82 4.53 0.14 -4.83 2.02 -1.26 0.48 118.70 115.96 1x5q s GLU 16 Ca 0.38 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.51 1x5q s GLU 16 Cb 0.01 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1x5q s GLU 16 CO 0.21 0.55 -0.01 -0.51 0.02 0.00 0.00 175.26 175.52 1x5q s LEU 17 N -1.26 2.19 -0.17 1.80 1.43 0.21 -4.90 118.68 117.96 1x5q s LEU 17 Ca 0.37 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1x5q s LEU 17 Cb -0.22 0.00 0.05 0.00 0.03 0.00 0.00 46.19 46.05 1x5q s LEU 17 CO 0.26 -0.57 0.03 -0.89 0.23 0.00 0.00 176.35 175.41 1x5q s THR 18 N -3.71 0.52 0.23 5.49 2.01 -1.26 -1.24 115.64 117.68 1x5q s THR 18 Ca 0.20 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.80 1x5q s THR 18 Cb 0.06 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1x5q s THR 18 CO 0.01 -0.13 0.25 -0.22 -0.69 0.00 0.00 174.62 173.84 1x5q s LEU 19 N 1.87 4.02 -0.03 4.42 2.96 0.17 -4.92 118.68 127.17 1x5q s LEU 19 Ca 0.00 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1x5q s LEU 19 Cb -0.16 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1x5q s LEU 19 CO -0.08 -0.03 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.98 1x5q s THR 20 N -2.03 0.50 0.12 3.68 2.01 -1.26 0.44 115.64 119.10 1x5q s THR 20 Ca 0.33 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1x5q s THR 20 Cb -0.09 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1x5q s THR 20 CO 0.26 0.19 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.56 1x5q s ILE 21 N 0.50 1.68 -0.14 1.82 1.01 0.16 -4.46 121.20 121.77 1x5q s ILE 21 Ca -0.06 -1.67 -0.05 0.00 0.00 0.00 0.00 60.65 58.87 1x5q s ILE 21 Cb -0.10 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1x5q s ILE 21 CO -0.00 -0.18 0.02 -0.76 0.00 0.00 0.00 174.94 174.01 1x5q s LEU 22 N -2.20 3.59 0.00 2.97 1.43 -1.25 0.13 118.68 123.35 1x5q s LEU 22 Ca 0.09 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1x5q s LEU 22 Cb -0.08 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 1x5q s LEU 22 CO 0.05 0.24 0.44 -0.60 0.23 0.00 0.00 176.35 176.71 1x5q s ARG 23 N -0.03 4.00 0.12 1.70 3.52 0.28 -4.85 118.95 123.69 1x5q s ARG 23 Ca 0.04 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1x5q s ARG 23 Cb -0.13 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1x5q s ARG 23 CO 0.02 0.64 0.00 1.04 -0.81 0.00 0.00 175.30 176.18 1x5q n GLN 24 N 1.96 0.00 -3.67 5.12 1.13 -1.26 -4.65 117.38 116.02 1x5q n GLN 24 Ca -0.13 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.79 1x5q n GLN 24 Cb 0.52 -0.15 -0.08 0.00 0.11 0.00 0.00 30.24 30.64 1x5q n GLN 24 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1x5q s THR 25 N -2.00 0.02 0.00 5.09 -1.32 -1.26 -5.05 115.64 111.12 1x5q s THR 25 Ca 0.00 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1x5q s THR 25 Cb 0.00 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1x5q s THR 25 CO 0.00 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1x5q n GLY 26 N 1.73 1.86 0.00 6.08 0.00 -1.26 -4.57 105.19 109.02 1x5q n GLY 26 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1x5q n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5q n GLY 27 N 0.00 -1.08 1.05 -0.02 0.00 -1.26 -5.15 105.19 98.74 1x5q n GLY 27 Ca 0.00 0.80 0.13 0.00 0.00 0.00 0.00 46.02 46.95 1x5q n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5q n LEU 28 N 0.00 -0.53 -3.06 0.99 4.77 -1.26 -4.80 117.00 113.11 1x5q n LEU 28 Ca 0.00 1.19 -0.19 0.00 -0.03 0.00 0.00 56.01 56.98 1x5q n LEU 28 Cb 0.00 -3.37 -0.03 0.00 -2.33 0.00 0.00 43.42 37.69 1x5q n LEU 28 CO 0.00 -2.28 -0.14 0.61 -1.33 0.00 0.00 177.39 174.25 1x5q n GLY 29 N -3.27 2.17 3.34 -0.72 0.00 -1.26 -4.91 105.19 100.55 1x5q n GLY 29 Ca -0.01 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1x5q n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5q s ILE 30 N -0.82 0.05 -0.05 -0.61 -4.36 -1.26 -2.39 121.20 111.76 1x5q s ILE 30 Ca 0.34 -1.54 0.06 0.00 -0.26 0.00 0.00 60.65 59.25 1x5q s ILE 30 Cb 0.21 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 1x5q s ILE 30 CO -0.14 -0.22 -0.23 -0.44 0.24 0.00 0.00 174.94 174.15 1x5q s SER 31 N -3.01 2.84 0.32 4.36 0.01 0.99 -4.94 113.70 114.27 1x5q s SER 31 Ca 0.22 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 57.11 1x5q s SER 31 Cb 0.04 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 1x5q s SER 31 CO 0.04 0.24 0.05 0.27 0.41 0.00 0.00 173.24 174.24 1x5q s ILE 32 N -0.22 2.92 -0.28 1.44 -4.36 -1.26 0.19 121.20 119.62 1x5q s ILE 32 Ca -0.01 -1.88 -0.16 0.00 -0.26 0.00 0.00 60.65 58.34 1x5q s ILE 32 Cb -0.12 -2.85 0.10 0.00 1.25 0.00 0.00 42.46 40.84 1x5q s ILE 32 CO 0.02 -0.23 0.79 0.00 0.24 0.00 0.00 174.94 175.76 1x5q s ALA 33 N -2.45 -2.01 0.00 2.27 0.00 -0.06 -4.59 121.76 114.92 1x5q s ALA 33 Ca 0.35 2.35 0.00 0.00 0.00 0.00 0.00 51.96 54.66 1x5q s ALA 33 Cb -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1x5q s ALA 33 CO 0.20 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1x5q n GLY 34 N 4.10 0.48 0.00 0.00 0.00 -1.24 -1.53 105.19 106.99 1x5q n GLY 34 Ca -0.19 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1x5q n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5q n GLY 35 N 0.00 0.71 0.00 -0.02 0.00 0.60 -4.33 105.19 102.16 1x5q n GLY 35 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1x5q n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5q n LYS 36 N 0.00 0.00 -0.74 1.61 4.81 -1.12 -3.23 118.16 119.49 1x5q n LYS 36 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1x5q n LYS 36 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1x5q n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5q n GLY 37 N 3.14 2.98 3.23 3.14 0.00 -1.26 -4.76 105.19 111.66 1x5q n GLY 37 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1x5q n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5q s SER 38 N 3.11 0.52 0.21 1.61 0.15 -1.26 -5.09 113.70 112.94 1x5q s SER 38 Ca 0.41 -1.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.34 1x5q s SER 38 Cb 0.13 0.36 -0.09 0.00 -1.71 0.00 0.00 66.02 64.71 1x5q s SER 38 CO -0.03 -0.84 1.26 -0.89 1.20 0.00 0.00 173.24 173.94 1x5q s THR 39 N -4.01 3.31 0.99 6.45 2.01 -1.26 -4.75 115.64 118.38 1x5q s THR 39 Ca 0.39 1.11 -0.15 0.00 0.31 0.00 0.00 61.69 63.35 1x5q s THR 39 Cb 0.07 -3.71 0.19 0.00 0.01 0.00 0.00 72.50 69.06 1x5q s THR 39 CO 0.14 0.18 1.18 -2.16 -0.69 0.00 0.00 174.62 173.27 1x5q s PRO 40 N -0.33 0.45 -0.08 4.92 0.04 -1.26 -3.73 135.00 135.02 1x5q s PRO 40 Ca 0.54 0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.70 1x5q s PRO 40 Cb -0.35 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1x5q s PRO 40 CO 0.39 -2.61 0.08 0.98 0.04 0.00 0.00 177.00 175.87 1x5q n TYR 41 N -4.00 0.00 0.00 0.56 4.19 -1.26 -4.83 117.16 111.82 1x5q n TYR 41 Ca 0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.31 1x5q n TYR 41 Cb 0.59 -0.42 0.00 0.00 0.49 0.00 0.00 39.34 40.01 1x5q n TYR 41 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1x5q n LYS 42 N -2.24 0.00 0.00 2.98 5.02 -1.26 -5.14 118.16 117.52 1x5q n LYS 42 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1x5q n LYS 42 Cb 0.69 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1x5q n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5q n GLY 43 N 2.45 4.78 3.29 0.72 0.00 -1.26 -5.03 105.19 110.15 1x5q n GLY 43 Ca 0.00 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1x5q n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5q n ASP 44 N 0.00 3.02 -3.51 1.61 8.00 -1.26 -4.57 116.55 119.84 1x5q n ASP 44 Ca 0.00 -2.72 -0.16 0.00 0.71 0.00 0.00 54.79 52.62 1x5q n ASP 44 Cb 0.00 -1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 39.54 1x5q n ASP 44 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1x5q s ASP 45 N 5.36 1.01 -0.85 -2.24 1.01 -1.26 -5.03 116.67 114.66 1x5q s ASP 45 Ca 0.61 0.01 -0.08 0.00 0.71 0.00 0.00 52.55 53.79 1x5q s ASP 45 Cb 0.08 0.54 -0.16 0.00 1.01 0.00 0.00 42.92 44.39 1x5q s ASP 45 CO 0.11 -0.30 3.23 -1.84 0.21 0.00 0.00 175.17 176.58 1x5q n GLU 46 N 5.33 2.94 -3.86 8.23 0.28 -1.26 -4.60 120.64 127.70 1x5q n GLU 46 Ca -0.05 -1.72 -0.24 0.00 -0.16 0.00 0.00 57.16 54.98 1x5q n GLU 46 Cb 0.50 -2.41 -0.04 0.00 1.43 0.00 0.00 31.44 30.91 1x5q n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x5q n GLY 47 N 2.93 3.45 3.25 -1.84 0.00 -1.20 -4.07 105.19 107.70 1x5q n GLY 47 Ca 0.61 -2.32 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1x5q n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5q s ILE 48 N -2.34 2.96 0.22 -0.61 -1.09 -1.26 -0.29 121.20 118.79 1x5q s ILE 48 Ca 0.07 -0.65 0.10 0.00 -2.23 0.00 0.00 60.65 57.95 1x5q s ILE 48 Cb -0.01 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 1x5q s ILE 48 CO 0.04 0.45 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.64 1x5q s PHE 49 N 1.42 2.11 0.22 3.97 0.40 -0.58 -0.66 117.98 124.85 1x5q s PHE 49 Ca 0.05 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.68 1x5q s PHE 49 Cb -0.14 -0.98 -0.09 0.00 0.51 0.00 0.00 43.02 42.32 1x5q s PHE 49 CO -0.06 0.52 1.26 0.42 0.70 0.00 0.00 175.22 178.05 1x5q s ILE 50 N -2.24 3.29 -0.24 0.64 -1.09 -0.34 -0.88 121.20 120.34 1x5q s ILE 50 Ca 0.23 1.11 0.02 0.00 -2.23 0.00 0.00 60.65 59.78 1x5q s ILE 50 Cb -0.05 -3.71 -0.16 0.00 -1.58 0.00 0.00 42.46 36.96 1x5q s ILE 50 CO 0.11 0.19 -0.22 -0.24 -1.23 0.00 0.00 174.94 173.55 1x5q n SER 51 N 2.27 2.11 -3.70 3.58 2.88 0.50 -2.24 113.62 119.02 1x5q n SER 51 Ca 0.04 -0.13 -0.12 0.00 -1.33 0.00 0.00 58.87 57.33 1x5q n SER 51 Cb 0.43 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 1x5q n SER 51 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x5q s ARG 52 N -2.49 0.87 -0.34 -1.46 3.52 -1.08 -4.87 118.95 113.10 1x5q s ARG 52 Ca -0.33 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1x5q s ARG 52 Cb 0.08 0.38 0.11 0.00 -1.56 0.00 0.00 34.95 33.97 1x5q s ARG 52 CO 0.56 -0.29 0.13 0.08 -0.81 0.00 0.00 175.30 174.97 1x5q s VAL 53 N -2.42 1.02 -0.47 7.11 1.01 -1.26 -0.01 120.40 125.39 1x5q s VAL 53 Ca -0.06 -1.71 -0.34 0.00 0.00 0.00 0.00 61.98 59.87 1x5q s VAL 53 Cb -0.01 -1.76 -0.13 0.00 0.00 0.00 0.00 36.38 34.48 1x5q s VAL 53 CO -0.02 -0.74 2.28 -1.20 0.00 0.00 0.00 175.10 175.43 1x5q n SER 54 N 4.49 1.78 -0.28 3.32 7.64 -1.01 -4.77 113.62 124.80 1x5q n SER 54 Ca 0.01 0.28 0.10 0.00 1.01 0.00 0.00 58.87 60.27 1x5q n SER 54 Cb 0.40 -1.23 0.34 0.00 -1.01 0.00 0.00 64.21 62.71 1x5q n SER 54 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1x5q h GLU 55 N 12.97 0.76 -1.13 1.43 4.11 -1.98 0.85 114.58 131.58 1x5q h GLU 55 Ca -0.22 -0.05 -0.54 0.00 0.07 0.00 0.00 59.36 58.63 1x5q h GLU 55 Cb 1.32 -0.17 -0.24 0.00 0.50 0.00 0.00 28.75 30.16 1x5q h GLU 55 CO 1.09 0.50 0.69 0.39 0.07 0.00 0.00 179.01 181.76 1x5q n GLU 56 N -4.55 2.32 -4.77 1.06 4.71 -1.26 -4.71 120.64 113.44 1x5q n GLU 56 Ca 0.16 -2.68 -0.33 0.00 -0.01 0.00 0.00 57.16 54.30 1x5q n GLU 56 Cb 0.39 -2.05 -0.07 0.00 -1.01 0.00 0.00 31.44 28.70 1x5q n GLU 56 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1x5q s GLY 57 N -1.12 3.10 0.17 0.62 0.00 0.29 -5.05 107.32 105.33 1x5q s GLY 57 Ca 0.53 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.17 1x5q s GLY 57 CO 0.01 -2.19 1.41 -0.56 0.00 0.00 0.00 173.10 171.77 1x5q h PRO 58 N 1.30 0.26 0.41 2.90 0.13 -1.84 -3.21 132.00 131.95 1x5q h PRO 58 Ca -0.43 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.43 1x5q h PRO 58 Cb 1.33 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1x5q h PRO 58 CO 0.71 0.94 -0.19 0.00 -0.23 0.00 0.00 178.00 179.23 1x5q h ALA 59 N 0.98 -0.54 -0.81 -0.56 0.00 -1.84 -1.69 119.26 114.79 1x5q h ALA 59 Ca -0.04 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1x5q h ALA 59 Cb 1.42 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.27 1x5q h ALA 59 CO 0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 179.25 178.57 1x5q h ALA 60 N 0.01 0.81 -0.12 0.00 0.00 -1.67 0.34 119.26 118.64 1x5q h ALA 60 Ca -0.06 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1x5q h ALA 60 Cb 0.44 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1x5q h ALA 60 CO 0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 179.25 178.82 1x5q h ARG 61 N 0.07 -0.09 -0.93 0.00 3.08 -1.47 -1.29 114.38 113.76 1x5q h ARG 61 Ca 0.44 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.70 1x5q h ARG 61 Cb 0.79 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.74 1x5q h ARG 61 CO -0.74 -0.06 0.50 0.00 -1.07 0.00 0.00 179.97 178.60 1x5q h ALA 62 N 1.01 1.52 0.00 0.04 0.00 0.52 -3.45 119.26 118.90 1x5q h ALA 62 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x5q h ALA 62 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x5q h ALA 62 CO -0.17 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.30 1x5q n GLY 63 N -1.33 1.88 3.77 0.00 0.00 -0.31 -4.80 105.19 104.39 1x5q n GLY 63 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1x5q n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5q s VAL 64 N -2.00 3.06 0.06 1.61 0.11 -1.12 -5.03 120.40 117.09 1x5q s VAL 64 Ca 0.00 0.74 0.08 0.00 -2.93 0.00 0.00 61.98 59.87 1x5q s VAL 64 Cb 0.00 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1x5q s VAL 64 CO 0.00 -0.06 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.35 1x5q s ARG 65 N -2.93 1.46 0.34 1.54 1.81 -1.26 -4.76 118.95 115.15 1x5q s ARG 65 Ca 0.68 -1.03 -0.28 0.00 -1.72 0.00 0.00 55.73 53.38 1x5q s ARG 65 Cb -0.28 -1.63 -0.10 0.00 -0.45 0.00 0.00 34.95 32.50 1x5q s ARG 65 CO 0.33 0.41 1.20 0.08 -0.68 0.00 0.00 175.30 176.64 1x5q s VAL 66 N -0.85 3.07 0.00 3.52 1.01 -1.26 -2.83 120.40 123.05 1x5q s VAL 66 Ca 0.09 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1x5q s VAL 66 Cb -0.09 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1x5q s VAL 66 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1x5q n GLY 67 N 0.87 0.77 3.69 4.51 0.00 -0.95 -4.96 105.19 109.11 1x5q n GLY 67 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1x5q n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5q s ASP 68 N -2.28 7.12 -0.55 1.61 1.01 -1.13 -4.63 116.67 117.82 1x5q s ASP 68 Ca 0.00 1.69 -0.26 0.00 0.71 0.00 0.00 52.55 54.69 1x5q s ASP 68 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.41 1x5q s ASP 68 CO 0.00 -0.54 1.05 -0.75 0.21 0.00 0.00 175.17 175.14 1x5q s LYS 69 N 2.23 3.44 0.25 8.23 2.20 -1.14 -1.19 119.74 133.76 1x5q s LYS 69 Ca 0.53 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 1x5q s LYS 69 Cb -0.22 -4.02 -0.10 0.00 -1.51 0.00 0.00 37.83 31.98 1x5q s LYS 69 CO 0.20 -1.54 1.48 -1.17 -0.36 0.00 0.00 175.35 173.97 1x5q s LEU 70 N 4.36 4.37 -0.06 5.43 1.98 0.17 0.70 118.68 135.63 1x5q s LEU 70 Ca 0.37 2.73 -0.00 0.00 -2.89 0.00 0.00 54.13 54.34 1x5q s LEU 70 Cb -0.10 -3.62 -0.04 0.00 0.66 0.00 0.00 46.19 43.09 1x5q s LEU 70 CO 0.23 -0.76 -0.06 0.18 -1.89 0.00 0.00 176.35 174.05 1x5q n LEU 71 N 2.41 2.51 -3.99 -0.68 4.77 0.53 -4.58 117.00 117.96 1x5q n LEU 71 Ca 0.08 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1x5q n LEU 71 Cb 0.39 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1x5q n LEU 71 CO 0.61 0.51 -0.26 -1.61 -1.33 0.00 0.00 177.39 175.31 1x5q s GLU 72 N -2.11 0.66 -0.26 3.23 2.02 -0.85 -0.74 118.70 120.64 1x5q s GLU 72 Ca -0.08 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.85 1x5q s GLU 72 Cb 0.02 0.25 0.13 0.00 0.10 0.00 0.00 34.13 34.63 1x5q s GLU 72 CO 0.13 -0.16 0.31 0.08 0.02 0.00 0.00 175.26 175.64 1x5q s VAL 73 N -3.60 -0.45 -0.09 2.63 1.01 0.69 -0.63 120.40 119.95 1x5q s VAL 73 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1x5q s VAL 73 Cb 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1x5q s VAL 73 CO -0.09 -0.33 0.00 -3.20 0.00 0.00 0.00 175.10 171.48 1x5q n ASN 74 N 5.33 -4.58 0.00 3.32 2.85 0.13 -1.55 115.26 120.75 1x5q n ASN 74 Ca -0.03 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1x5q n ASN 74 Cb 0.48 -2.16 0.00 0.00 1.24 0.00 0.00 39.78 39.34 1x5q n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5q n GLY 75 N -0.92 2.32 3.75 8.20 0.00 -1.26 -5.00 105.19 112.28 1x5q n GLY 75 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1x5q n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5q s VAL 76 N -2.17 3.11 -0.30 1.61 0.11 -0.60 -4.97 120.40 117.20 1x5q s VAL 76 Ca 0.00 0.99 -0.26 0.00 -2.93 0.00 0.00 61.98 59.78 1x5q s VAL 76 Cb 0.00 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1x5q s VAL 76 CO 0.00 0.19 0.92 0.00 -3.33 0.00 0.00 175.10 172.87 1x5q s ALA 77 N -0.43 3.55 -0.51 1.54 0.00 -1.26 -0.22 121.76 124.43 1x5q s ALA 77 Ca 0.53 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1x5q s ALA 77 Cb -0.37 -3.45 0.55 0.00 0.00 0.00 0.00 23.12 19.85 1x5q s ALA 77 CO 0.43 -1.26 1.87 1.28 0.00 0.00 0.00 175.76 178.08 1x5q n LEU 78 N 6.43 6.71 -4.46 0.00 4.77 0.08 -4.86 117.00 125.66 1x5q n LEU 78 Ca 0.08 -3.98 -0.43 0.00 -0.03 0.00 0.00 56.01 51.64 1x5q n LEU 78 Cb 0.47 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 1x5q n LEU 78 CO 0.53 1.32 0.57 -1.10 -1.33 0.00 0.00 177.39 177.38 1x5q s GLN 79 N -3.53 3.17 -0.68 3.23 -0.21 -1.25 -4.09 119.66 116.31 1x5q s GLN 79 Ca 0.58 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 55.20 1x5q s GLN 79 Cb 0.48 -4.14 0.00 0.00 1.00 0.00 0.00 33.01 30.35 1x5q s GLN 79 CO 0.04 -1.48 0.57 0.41 -2.12 0.00 0.00 175.29 172.71 1x5q n GLY 80 N 5.21 0.06 3.69 3.09 0.00 -1.26 -5.03 105.19 110.94 1x5q n GLY 80 Ca -0.04 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1x5q n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5q s ALA 81 N -3.19 3.30 0.71 4.61 0.00 -1.26 -4.56 121.76 121.38 1x5q s ALA 81 Ca 0.11 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 1x5q s ALA 81 Cb -0.05 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.66 1x5q s ALA 81 CO 0.39 0.62 1.15 -1.21 0.00 0.00 0.00 175.76 176.71 1x5q s GLU 82 N -1.17 2.37 0.21 0.00 2.02 -1.26 -2.79 118.70 118.07 1x5q s GLU 82 Ca 0.16 1.56 -0.22 0.00 0.02 0.00 0.00 54.97 56.49 1x5q s GLU 82 Cb -0.11 -1.88 0.14 0.00 0.10 0.00 0.00 34.13 32.38 1x5q s GLU 82 CO 0.06 -1.62 1.55 1.25 0.02 0.00 0.00 175.26 176.52 1x5q h HIS 83 N -0.29 -1.36 -0.11 1.61 2.76 -1.94 0.50 115.15 116.32 1x5q h HIS 83 Ca -0.47 0.11 0.05 0.00 -2.20 0.00 0.00 60.37 57.86 1x5q h HIS 83 Cb 1.27 0.73 -0.06 0.00 1.55 0.00 0.00 27.41 30.90 1x5q h HIS 83 CO 0.51 -0.39 -0.30 1.12 -1.30 0.00 0.00 177.93 177.57 1x5q h HIS 84 N -0.00 -0.81 -0.70 5.26 2.07 -1.95 0.66 115.15 119.68 1x5q h HIS 84 Ca 0.29 0.03 0.15 0.00 -2.85 0.00 0.00 60.37 57.99 1x5q h HIS 84 Cb 0.54 0.38 -0.12 0.00 2.57 0.00 0.00 27.41 30.77 1x5q h HIS 84 CO -0.93 -0.38 -0.03 0.93 -3.07 0.00 0.00 177.93 174.45 1x5q h GLU 85 N -0.38 0.08 0.58 5.12 5.08 -0.50 1.11 114.58 125.67 1x5q h GLU 85 Ca 0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1x5q h GLU 85 Cb 0.52 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1x5q h GLU 85 CO -0.33 0.05 -0.28 0.00 -1.00 0.00 0.00 179.01 177.45 1x5q h ALA 86 N 1.66 -0.78 -0.47 3.43 0.00 0.60 -1.69 119.26 122.01 1x5q h ALA 86 Ca 0.37 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1x5q h ALA 86 Cb 0.62 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1x5q h ALA 86 CO -0.63 -0.83 -0.33 0.28 0.00 0.00 0.00 179.25 177.74 1x5q h VAL 87 N -1.01 0.21 -0.52 0.00 2.07 0.14 0.36 116.25 117.51 1x5q h VAL 87 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1x5q h VAL 87 Cb 0.66 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 1x5q h VAL 87 CO 0.13 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 177.42 1x5q h GLU 88 N -0.22 -0.10 -0.47 1.57 4.22 0.13 -0.29 114.58 119.42 1x5q h GLU 88 Ca 0.19 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.72 1x5q h GLU 88 Cb 0.54 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 1x5q h GLU 88 CO -0.59 -0.06 -0.40 0.00 -2.18 0.00 0.00 179.01 175.78 1x5q h ALA 89 N 1.26 -0.31 -0.45 2.92 0.00 0.02 0.15 119.26 122.85 1x5q h ALA 89 Ca 0.24 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.34 1x5q h ALA 89 Cb 0.48 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1x5q h ALA 89 CO -0.58 -0.80 -0.21 -0.07 0.00 0.00 0.00 179.25 177.59 1x5q h LEU 90 N -0.27 -0.71 -1.46 0.00 3.38 -0.22 0.46 115.31 116.48 1x5q h LEU 90 Ca 0.17 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.49 1x5q h LEU 90 Cb 0.57 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1x5q h LEU 90 CO -0.61 -0.24 0.58 0.03 0.09 0.00 0.00 178.44 178.29 1x5q h ARG 91 N -0.11 0.46 -5.05 1.13 3.08 0.49 -3.22 114.38 111.15 1x5q h ARG 91 Ca 0.22 -0.03 -0.71 0.00 0.07 0.00 0.00 59.98 59.52 1x5q h ARG 91 Cb 0.45 -0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.24 1x5q h ARG 91 CO -0.52 0.30 1.41 0.20 -1.07 0.00 0.00 179.97 180.29 1x5q s GLY 92 N -3.80 2.14 -0.07 0.04 0.00 0.16 -4.89 107.32 100.91 1x5q s GLY 92 Ca -0.09 -3.13 -0.31 0.00 0.00 0.00 0.00 44.72 41.19 1x5q s GLY 92 CO 0.78 2.19 1.05 0.00 0.00 0.00 0.00 173.10 177.12 1x5q s ALA 93 N 2.38 -1.94 0.00 3.20 0.00 -1.22 -4.89 121.76 119.29 1x5q s ALA 93 Ca 0.43 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1x5q s ALA 93 Cb -0.02 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1x5q s ALA 93 CO -0.01 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1x5q n GLY 94 N -0.21 7.28 0.00 0.00 0.00 -1.26 -5.06 105.19 105.93 1x5q n GLY 94 Ca -0.05 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1x5q n GLY 94 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x5q n THR 95 N 0.00 0.00 -2.24 2.61 5.66 -1.26 -3.80 114.28 115.25 1x5q n THR 95 Ca 0.00 0.84 -0.43 0.00 -3.05 0.00 0.00 64.05 61.41 1x5q n THR 95 Cb 0.00 -1.30 -0.02 0.00 -1.55 0.00 0.00 70.33 67.46 1x5q n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5q s ALA 96 N -2.75 2.96 -0.32 1.79 0.00 -1.25 0.99 121.76 123.18 1x5q s ALA 96 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1x5q s ALA 96 Cb 0.00 -3.98 0.03 0.00 0.00 0.00 0.00 23.12 19.17 1x5q s ALA 96 CO 0.00 -2.53 0.08 0.08 0.00 0.00 0.00 175.76 173.39 1x5q s VAL 97 N 6.00 3.70 -0.09 0.00 1.01 0.34 -4.91 120.40 126.46 1x5q s VAL 97 Ca 0.67 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1x5q s VAL 97 Cb -0.16 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1x5q s VAL 97 CO 0.32 -0.07 0.71 -1.58 0.00 0.00 0.00 175.10 174.49 1x5q s GLN 98 N 1.41 4.40 -0.16 2.72 0.74 -1.26 -0.66 119.66 126.85 1x5q s GLN 98 Ca -0.01 0.87 -0.01 0.00 0.05 0.00 0.00 55.36 56.27 1x5q s GLN 98 Cb -0.19 -3.47 0.04 0.00 1.10 0.00 0.00 33.01 30.49 1x5q s GLN 98 CO 0.02 -0.01 -0.05 -1.64 -0.55 0.00 0.00 175.29 173.06 1x5q s MET 99 N 1.05 1.38 -0.54 1.67 -1.94 0.17 0.19 119.30 121.27 1x5q s MET 99 Ca 0.37 -0.49 -0.22 0.00 -1.71 0.00 0.00 55.69 53.63 1x5q s MET 99 Cb -0.17 -1.98 0.05 0.00 2.01 0.00 0.00 34.83 34.74 1x5q s MET 99 CO 0.17 -0.44 0.83 0.50 -0.01 0.00 0.00 175.02 176.07 1x5q s ARG 100 N 1.65 3.24 0.28 2.03 3.52 0.20 0.45 118.95 130.32 1x5q s ARG 100 Ca 0.01 -0.53 0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1x5q s ARG 100 Cb -0.15 -4.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 1x5q s ARG 100 CO -0.08 -1.42 0.35 0.14 -0.81 0.00 0.00 175.30 173.48 1x5q s VAL 101 N 3.48 4.53 -0.16 7.11 -7.23 -0.37 0.20 120.40 127.97 1x5q s VAL 101 Ca 0.24 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 1x5q s VAL 101 Cb -0.15 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 1x5q s VAL 101 CO 0.16 -0.27 -0.13 0.86 -0.31 0.00 0.00 175.10 175.42 1x5q s TRP 102 N -2.11 2.83 0.05 2.82 -0.00 0.22 0.64 118.94 123.38 1x5q s TRP 102 Ca 0.38 -0.91 -0.23 0.00 -0.00 0.00 0.00 56.10 55.33 1x5q s TRP 102 Cb -0.08 -1.92 0.06 0.00 -0.00 0.00 0.00 33.47 31.52 1x5q s TRP 102 CO 0.28 -0.41 0.55 0.50 -0.00 0.00 0.00 176.95 177.87 1x5q s ARG 103 N 0.81 1.06 0.20 5.86 3.52 0.18 -2.88 118.95 127.69 1x5q s ARG 103 Ca -0.04 -0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 55.22 1x5q s ARG 103 Cb -0.15 0.49 -0.07 0.00 -1.56 0.00 0.00 34.95 33.65 1x5q s ARG 103 CO 0.01 -0.39 0.58 -1.83 -0.81 0.00 0.00 175.30 172.86 1x5q s GLU 104 N -2.44 3.95 -0.22 5.12 1.03 -1.26 0.19 118.70 125.07 1x5q s GLU 104 Ca -0.05 0.47 -0.04 0.00 0.03 0.00 0.00 54.97 55.38 1x5q s GLU 104 Cb -0.01 -2.79 0.07 0.00 -0.80 0.00 0.00 34.13 30.61 1x5q s GLU 104 CO -0.02 0.39 0.09 0.45 -1.33 0.00 0.00 175.26 174.84 1x5q s SER 105 N -1.97 2.92 0.00 0.83 0.15 -1.26 -4.87 113.70 109.50 1x5q s SER 105 Ca 0.43 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1x5q s SER 105 Cb -0.13 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1x5q s SER 105 CO 0.20 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1x5q n GLY 106 N 5.17 4.99 3.58 9.45 0.00 -1.26 -5.06 105.19 122.07 1x5q n GLY 106 Ca -0.07 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1x5q n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5q s PRO 107 N 1.66 3.31 -0.37 1.61 0.04 -1.26 -4.89 135.00 135.10 1x5q s PRO 107 Ca 0.00 0.64 0.07 0.00 0.04 0.00 0.00 61.00 61.75 1x5q s PRO 107 Cb 0.00 -4.13 0.18 0.00 0.04 0.00 0.00 34.50 30.60 1x5q s PRO 107 CO 0.00 -1.91 0.59 0.45 0.04 0.00 0.00 177.00 176.17 1x5q s SER 108 N 4.70 -1.24 0.09 6.66 0.15 -1.26 -5.05 113.70 117.76 1x5q s SER 108 Ca 0.57 -0.57 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 1x5q s SER 108 Cb -0.12 1.82 -0.13 0.00 -1.71 0.00 0.00 66.02 65.88 1x5q s SER 108 CO 0.27 -0.22 1.48 0.28 1.20 0.00 0.00 173.24 176.25 1x5q h SER 109 N 7.34 -1.38 -0.02 5.45 0.02 -2.08 -3.55 113.55 119.33 1x5q h SER 109 Ca 0.03 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1x5q h SER 109 Cb 1.17 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1x5q h SER 109 CO 0.13 -0.48 0.00 0.61 -1.14 0.00 0.00 176.83 175.95