#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win s SER 2 N 0.00 -0.11 0.23 1.61 1.04 -1.26 -5.17 113.70 110.04 1win s SER 2 Ca 0.00 0.11 -0.22 0.00 0.48 0.00 0.00 55.95 56.32 1win s SER 2 Cb 0.00 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1win s SER 2 CO 0.00 -0.26 0.89 -0.55 0.98 0.00 0.00 173.24 174.30 1win s SER 3 N -0.76 -0.13 0.00 7.02 0.15 -1.26 -5.18 113.70 113.54 1win s SER 3 Ca -0.08 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1win s SER 3 Cb -0.05 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1win s SER 3 CO 0.02 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.90 1win n GLY 4 N -0.52 4.33 3.63 9.45 0.00 -1.26 -5.18 105.19 115.63 1win n GLY 4 Ca -0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1win n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1win s SER 5 N 0.00 -0.38 -0.46 1.61 1.04 -1.26 -5.04 113.70 109.21 1win s SER 5 Ca 0.00 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 56.95 1win s SER 5 Cb 0.00 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.84 1win s SER 5 CO 0.00 -0.18 0.37 -0.44 0.98 0.00 0.00 173.24 173.97 1win s SER 6 N -0.12 6.06 0.00 7.02 0.01 -1.26 -4.83 113.70 120.58 1win s SER 6 Ca 0.03 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1win s SER 6 Cb -0.04 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1win s SER 6 CO -0.06 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1win n GLY 7 N 5.16 -1.46 2.23 3.44 0.00 -1.26 -4.86 105.19 108.44 1win n GLY 7 Ca -0.12 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 1win n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1win n GLN 8 N 1.15 2.18 -5.09 1.61 1.13 -1.26 -4.86 117.38 112.24 1win n GLN 8 Ca 0.00 -1.64 -0.29 0.00 -1.94 0.00 0.00 57.00 53.13 1win n GLN 8 Cb 0.00 -2.06 -0.16 0.00 0.11 0.00 0.00 30.24 28.13 1win n GLN 8 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1win s ARG 9 N -0.32 2.01 0.58 -1.09 6.06 -1.26 -5.09 118.95 119.85 1win s ARG 9 Ca 0.63 -0.79 -0.18 0.00 -2.50 0.00 0.00 55.73 52.89 1win s ARG 9 Cb 0.35 -1.82 -0.04 0.00 0.06 0.00 0.00 34.95 33.50 1win s ARG 9 CO -0.11 0.40 1.12 -1.50 -2.50 0.00 0.00 175.30 172.71 1win s ILE 10 N -0.30 3.25 -0.14 4.11 2.07 -1.26 -5.06 121.20 123.87 1win s ILE 10 Ca 0.02 0.69 -0.08 0.00 -1.41 0.00 0.00 60.65 59.88 1win s ILE 10 Cb -0.11 -3.23 0.05 0.00 0.13 0.00 0.00 42.46 39.30 1win s ILE 10 CO 0.01 -0.25 0.33 -0.44 -1.91 0.00 0.00 174.94 172.68 1win s SER 11 N -2.12 -0.39 -0.88 4.50 0.01 -1.26 -5.10 113.70 108.47 1win s SER 11 Ca 0.70 0.71 -0.25 0.00 1.31 0.00 0.00 55.95 58.42 1win s SER 11 Cb -0.22 0.60 0.03 0.00 0.21 0.00 0.00 66.02 66.65 1win s SER 11 CO 0.32 -0.17 1.43 -0.22 0.41 0.00 0.00 173.24 175.01 1win s LEU 12 N 1.21 3.33 0.06 2.44 2.96 -1.26 -4.94 118.68 122.48 1win s LEU 12 Ca -0.08 -0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 52.87 1win s LEU 12 Cb -0.09 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 1win s LEU 12 CO -0.10 -1.76 0.10 -1.61 -1.32 0.00 0.00 176.35 171.66 1win s GLU 13 N 5.51 0.69 -0.15 1.98 0.41 -1.26 -5.08 118.70 120.81 1win s GLU 13 Ca 0.44 -0.95 -0.29 0.00 -0.41 0.00 0.00 54.97 53.75 1win s GLU 13 Cb -0.04 0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 32.56 1win s GLU 13 CO 0.02 -0.18 1.16 0.42 -0.49 0.00 0.00 175.26 176.19 1win s ILE 14 N -3.40 4.44 -0.11 -1.63 1.01 -1.26 -4.48 121.20 115.76 1win s ILE 14 Ca 0.02 1.74 -0.03 0.00 0.00 0.00 0.00 60.65 62.38 1win s ILE 14 Cb 0.03 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1win s ILE 14 CO -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 174.94 174.77 1win s MET 15 N 2.91 3.22 -0.35 2.79 0.23 0.08 -4.98 119.30 123.20 1win s MET 15 Ca 0.52 -0.41 -0.16 0.00 -1.03 0.00 0.00 55.69 54.61 1win s MET 15 Cb -0.20 -2.87 -0.01 0.00 -1.53 0.00 0.00 34.83 30.22 1win s MET 15 CO 0.15 0.59 0.39 0.99 -2.03 0.00 0.00 175.02 175.10 1win s THR 16 N -0.56 5.14 -0.15 3.16 2.01 -1.26 -1.42 115.64 122.56 1win s THR 16 Ca 0.10 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 1win s THR 16 Cb -0.12 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1win s THR 16 CO 0.02 -0.14 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.98 1win s LEU 17 N 2.08 3.08 -0.57 4.42 1.02 -0.88 -4.99 118.68 122.83 1win s LEU 17 Ca 0.13 -0.20 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 1win s LEU 17 Cb -0.16 -1.73 0.14 0.00 0.02 0.00 0.00 46.19 44.46 1win s LEU 17 CO 0.12 0.16 0.49 -1.10 0.02 0.00 0.00 176.35 176.03 1win s GLN 18 N 0.43 2.87 -1.18 1.70 -0.21 -1.26 -2.32 119.66 119.69 1win s GLN 18 Ca -0.06 -1.92 -0.23 0.00 0.02 0.00 0.00 55.36 53.18 1win s GLN 18 Cb -0.15 -4.14 -0.09 0.00 1.00 0.00 0.00 33.01 29.63 1win s GLN 18 CO 0.03 -1.26 1.94 -1.25 -2.12 0.00 0.00 175.29 172.63 1win s PRO 19 N 1.14 2.49 0.02 2.91 0.04 -1.24 -4.91 135.00 135.45 1win s PRO 19 Ca 0.08 -1.14 -0.01 0.00 0.04 0.00 0.00 61.00 59.97 1win s PRO 19 Cb -0.24 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.02 1win s PRO 19 CO -0.01 -3.97 0.14 -0.98 0.04 0.00 0.00 177.00 172.21 1win s ARG 20 N 6.49 3.22 -0.04 4.56 1.70 -0.22 -4.22 118.95 130.44 1win s ARG 20 Ca 0.68 -0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 55.44 1win s ARG 20 Cb -0.01 -2.95 0.01 0.00 -0.57 0.00 0.00 34.95 31.43 1win s ARG 20 CO 0.13 0.64 0.13 0.00 -1.08 0.00 0.00 175.30 175.11 1win s GLU 22 N -0.14 0.92 -0.47 0.00 1.03 -1.26 -2.04 118.70 116.74 1win s GLU 22 Ca -0.02 -0.89 -0.03 0.00 0.03 0.00 0.00 54.97 54.06 1win s GLU 22 Cb -0.02 -0.96 0.00 0.00 -0.80 0.00 0.00 34.13 32.36 1win s GLU 22 CO 0.00 0.23 0.36 -0.25 -1.33 0.00 0.00 175.26 174.27 1win n ASP 23 N 1.55 -3.40 -4.13 0.83 8.00 -1.23 -5.01 116.55 113.16 1win n ASP 23 Ca -0.19 -0.16 -0.38 0.00 0.71 0.00 0.00 54.79 54.77 1win n ASP 23 Cb 0.54 -2.02 -0.10 0.00 -0.02 0.00 0.00 41.12 39.52 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1win s VAL 24 N -3.03 3.71 0.13 2.53 -7.23 -1.23 -4.92 120.40 110.37 1win s VAL 24 Ca 0.18 -2.39 -0.35 0.00 -1.81 0.00 0.00 61.98 57.61 1win s VAL 24 Cb -0.08 -3.46 -0.15 0.00 0.56 0.00 0.00 36.38 33.25 1win s VAL 24 CO 0.22 -0.79 1.45 -0.62 -0.31 0.00 0.00 175.10 175.05 1win n GLU 25 N 4.18 1.69 -1.28 4.82 1.02 -1.26 -2.66 120.64 127.16 1win n GLU 25 Ca 0.01 0.61 -0.27 0.00 -0.02 0.00 0.00 57.16 57.50 1win n GLU 25 Cb 0.40 -2.31 0.21 0.00 -0.02 0.00 0.00 31.44 29.72 1win n GLU 25 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1win n THR 26 N 2.89 0.00 0.06 2.62 -2.24 0.83 -4.59 114.28 113.85 1win n THR 26 Ca 0.17 -0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 1win n THR 26 Cb 0.25 -1.36 -0.07 0.00 -2.10 0.00 0.00 70.33 67.04 1win n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1win h ALA 27 N -2.31 -0.73 -0.07 6.98 0.00 -0.38 -0.96 119.26 121.80 1win h ALA 27 Ca -0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1win h ALA 27 Cb 1.11 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1win h ALA 27 CO 0.26 -0.99 -0.06 1.05 0.00 0.00 0.00 179.25 179.51 1win h GLU 28 N -0.60 0.10 0.00 0.00 4.11 -1.87 -3.46 114.58 112.85 1win h GLU 28 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1win h GLU 28 Cb 0.67 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1win h GLU 28 CO -0.32 0.16 0.00 0.41 0.07 0.00 0.00 179.01 179.34 1win n GLY 29 N -1.24 0.64 2.70 1.06 0.00 -0.36 -5.14 105.19 102.85 1win n GLY 29 Ca -0.02 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 1win n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 30 N -0.08 0.30 -0.18 1.61 1.01 -1.25 -4.73 120.40 117.08 1win s VAL 30 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1win s VAL 30 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1win s VAL 30 CO 0.00 -0.16 1.89 0.00 0.00 0.00 0.00 175.10 176.82 1win s ALA 31 N 1.96 3.12 0.34 5.51 0.00 -1.26 -0.12 121.76 131.32 1win s ALA 31 Ca 0.01 0.70 0.09 0.00 0.00 0.00 0.00 51.96 52.76 1win s ALA 31 Cb -0.16 -3.94 -0.06 0.00 0.00 0.00 0.00 23.12 18.97 1win s ALA 31 CO -0.08 -2.21 0.00 -0.51 0.00 0.00 0.00 175.76 172.97 1win s LEU 32 N 6.18 2.95 -0.26 0.00 2.01 -1.09 -4.57 118.68 123.91 1win s LEU 32 Ca 0.84 -1.03 0.02 0.00 0.01 0.00 0.00 54.13 53.97 1win s LEU 32 Cb -0.30 -1.30 0.06 0.00 0.01 0.00 0.00 46.19 44.66 1win s LEU 32 CO 0.34 -0.25 -0.07 -0.89 1.01 0.00 0.00 176.35 176.49 1win s THR 33 N -2.54 1.89 -0.20 5.49 2.01 0.23 -3.47 115.64 119.05 1win s THR 33 Ca 0.35 -1.52 -0.03 0.00 0.31 0.00 0.00 61.69 60.80 1win s THR 33 Cb 0.01 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 1win s THR 33 CO 0.19 -0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.24 1win s VAL 34 N 1.22 3.21 -0.03 3.82 1.01 -0.86 0.09 120.40 128.85 1win s VAL 34 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1win s VAL 34 Cb -0.19 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1win s VAL 34 CO -0.06 0.45 0.56 0.74 0.00 0.00 0.00 175.10 176.79 1win h THR 35 N 5.67 0.00 -1.65 3.92 2.02 -1.69 -0.35 112.91 120.83 1win h THR 35 Ca -0.39 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1win h THR 35 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1win h THR 35 CO 0.60 0.00 -0.42 0.61 0.37 0.00 0.00 175.52 176.69 1win n GLY 36 N 0.54 -3.56 2.80 2.16 0.00 -1.26 -1.06 105.19 104.81 1win n GLY 36 Ca -0.05 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1win n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 37 N -3.52 -0.30 0.00 1.61 1.01 0.66 -3.67 120.40 116.20 1win s VAL 37 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1win s VAL 37 Cb 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1win s VAL 37 CO 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 175.10 175.01 1win s ALA 38 N 2.31 0.35 0.13 5.51 0.00 -0.98 0.18 121.76 129.27 1win s ALA 38 Ca 0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1win s ALA 38 Cb -0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 1win s ALA 38 CO -0.09 0.05 0.42 -1.14 0.00 0.00 0.00 175.76 175.00 1win s GLN 39 N -0.38 3.71 0.08 0.00 2.00 0.35 -2.08 119.66 123.34 1win s GLN 39 Ca -0.01 0.09 -0.07 0.00 -2.00 0.00 0.00 55.36 53.37 1win s GLN 39 Cb -0.03 -2.87 -0.01 0.00 0.80 0.00 0.00 33.01 30.90 1win s GLN 39 CO -0.00 0.48 0.13 0.54 -0.50 0.00 0.00 175.29 175.94 1win s VAL 40 N -1.58 0.16 0.12 1.34 0.11 -0.51 -1.95 120.40 118.09 1win s VAL 40 Ca 0.39 -1.35 -0.23 0.00 -2.93 0.00 0.00 61.98 57.86 1win s VAL 40 Cb -0.13 -1.39 0.06 0.00 -1.53 0.00 0.00 36.38 33.39 1win s VAL 40 CO 0.21 -0.74 0.57 -1.59 -3.33 0.00 0.00 175.10 170.22 1win s LYS 41 N -3.88 1.19 0.34 1.54 0.00 -1.21 -0.74 119.74 116.98 1win s LYS 41 Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 55.97 55.45 1win s LYS 41 Cb 0.06 0.55 -0.09 0.00 0.00 0.00 0.00 37.83 38.34 1win s LYS 41 CO -0.11 -0.49 0.80 0.42 0.00 0.00 0.00 175.35 175.97 1win s ILE 42 N -3.33 4.58 0.51 3.79 -1.09 -1.26 -3.06 121.20 121.33 1win s ILE 42 Ca -0.01 1.15 -0.02 0.00 -2.23 0.00 0.00 60.65 59.55 1win s ILE 42 Cb -0.00 -3.65 0.10 0.00 -1.58 0.00 0.00 42.46 37.33 1win s ILE 42 CO -0.09 -0.16 0.69 0.23 -1.23 0.00 0.00 174.94 174.38 1win n MET 43 N -0.27 -0.04 -1.48 2.79 2.81 -1.25 -4.95 117.12 114.73 1win n MET 43 Ca 0.04 -1.70 -0.07 0.00 -1.81 0.00 0.00 57.70 54.16 1win n MET 43 Cb 0.53 -0.52 0.03 0.00 -0.71 0.00 0.00 33.22 32.55 1win n MET 43 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1win n THR 44 N -2.50 0.00 -1.48 2.03 -2.24 -1.26 -5.03 114.28 103.80 1win n THR 44 Ca 0.11 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1win n THR 44 Cb 0.38 -1.00 0.17 0.00 -2.10 0.00 0.00 70.33 67.78 1win n THR 44 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1win n GLU 45 N -1.49 2.16 -0.36 -0.78 0.28 -1.26 -4.73 120.64 114.45 1win n GLU 45 Ca 0.05 -3.29 0.28 0.00 -0.16 0.00 0.00 57.16 54.05 1win n GLU 45 Cb 0.19 -1.97 0.57 0.00 1.43 0.00 0.00 31.44 31.66 1win n GLU 45 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1win h LYS 46 N 1.22 0.27 0.00 3.44 6.56 -2.04 -3.34 116.57 122.67 1win h LYS 46 Ca 0.34 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.91 1win h LYS 46 Cb 1.75 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 33.35 1win h LYS 46 CO 0.66 0.18 -0.02 -1.91 -2.06 0.00 0.00 179.45 176.29 1win n GLU 47 N -4.63 0.01 -3.71 3.15 4.07 -1.26 -5.10 120.64 113.16 1win n GLU 47 Ca 0.29 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.28 1win n GLU 47 Cb 1.07 -0.22 -0.11 0.00 -0.06 0.00 0.00 31.44 32.13 1win n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1win s LEU 48 N -5.76 0.11 0.00 4.31 1.43 -1.26 -5.02 118.68 112.49 1win s LEU 48 Ca -0.01 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1win s LEU 48 Cb 0.00 1.36 0.00 0.00 0.03 0.00 0.00 46.19 47.58 1win s LEU 48 CO 0.01 -0.17 0.64 -0.11 0.23 0.00 0.00 176.35 176.95 1win n LEU 49 N 3.75 1.14 0.00 1.79 -0.00 -1.26 -4.69 117.00 117.73 1win n LEU 49 Ca -0.20 -1.14 0.05 0.00 -0.00 0.00 0.00 56.01 54.73 1win n LEU 49 Cb 0.56 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 44.27 1win n LEU 49 CO 0.10 0.29 0.60 0.00 -0.00 0.00 0.00 177.39 178.37 1win n ALA 50 N -0.20 1.75 0.08 1.96 0.00 -1.26 -1.23 120.51 121.60 1win n ALA 50 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1win n ALA 50 Cb 0.20 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 1win n ALA 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1win h VAL 51 N 0.00 1.07 -0.01 0.00 3.04 -1.87 -3.36 116.25 115.12 1win h VAL 51 Ca 0.00 -2.66 0.00 0.00 -1.01 0.00 0.00 66.70 63.03 1win h VAL 51 Cb 0.07 2.79 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1win h VAL 51 CO 0.00 0.84 -0.51 0.00 -1.01 0.00 0.00 177.57 176.89 1win n ALA 52 N -2.76 3.60 0.04 3.17 0.00 -0.94 -4.06 120.51 119.56 1win n ALA 52 Ca -0.20 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.59 1win n ALA 52 Cb 1.07 -0.69 0.12 0.00 0.00 0.00 0.00 19.45 19.94 1win n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win n GLU 54 N -3.97 0.63 0.23 0.00 4.07 -1.26 -2.27 120.64 118.06 1win n GLU 54 Ca -0.02 0.23 0.09 0.00 -0.06 0.00 0.00 57.16 57.40 1win n GLU 54 Cb 0.55 -1.79 0.55 0.00 -0.06 0.00 0.00 31.44 30.69 1win n GLU 54 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1win h GLN 55 N 0.00 0.00 0.00 5.31 5.75 -1.69 -3.34 115.11 121.14 1win h GLN 55 Ca -0.21 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 1win h GLN 55 Cb 1.72 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.27 1win h GLN 55 CO 0.05 0.22 -1.04 1.19 -2.65 0.00 0.00 178.83 176.61 1win n PHE 56 N -3.76 0.00 -1.28 3.99 3.72 -1.08 -4.83 117.46 114.22 1win n PHE 56 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 1win n PHE 56 Cb 0.33 -0.50 0.04 0.00 -0.94 0.00 0.00 39.48 38.41 1win n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1win n LEU 57 N -4.39 -1.36 0.00 4.37 4.77 -0.96 -1.82 117.00 117.60 1win n LEU 57 Ca -0.16 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1win n LEU 57 Cb 0.51 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1win n LEU 57 CO 0.19 -3.95 0.00 0.61 -1.33 0.00 0.00 177.39 172.91 1win n GLY 58 N 2.15 2.40 3.97 -0.72 0.00 -1.26 -4.84 105.19 106.90 1win n GLY 58 Ca 0.08 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1win n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 59 N 0.00 2.26 0.48 1.61 1.02 -0.75 -5.14 119.74 119.22 1win s LYS 59 Ca 0.00 -1.86 0.02 0.00 0.02 0.00 0.00 55.97 54.15 1win s LYS 59 Cb 0.00 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1win s LYS 59 CO 0.00 -0.77 0.69 -0.80 -0.92 0.00 0.00 175.35 173.55 1win s ASN 60 N -4.48 5.58 0.52 2.83 0.01 -1.26 -4.97 114.94 113.17 1win s ASN 60 Ca 0.47 0.04 0.24 0.00 -0.71 0.00 0.00 52.86 52.91 1win s ASN 60 Cb -0.04 -1.13 1.35 0.00 0.41 0.00 0.00 41.25 41.85 1win s ASN 60 CO 0.30 -0.88 1.98 -0.37 -1.51 0.00 0.00 177.10 176.62 1win h VAL 61 N 0.32 0.74 -0.67 1.60 -1.51 -1.97 -0.45 116.25 114.32 1win h VAL 61 Ca -0.44 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1win h VAL 61 Cb 1.27 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 1win h VAL 61 CO 0.53 0.01 0.26 1.56 -1.23 0.00 0.00 177.57 178.71 1win h GLN 62 N 0.05 1.00 -0.34 5.19 4.20 -1.96 -2.93 115.11 120.31 1win h GLN 62 Ca 0.27 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1win h GLN 62 Cb 1.01 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 1win h GLN 62 CO -0.02 0.84 0.01 -0.44 -0.67 0.00 0.00 178.83 178.55 1win h ASP 63 N 0.94 -0.12 0.00 1.46 5.19 -1.45 -2.10 116.42 120.34 1win h ASP 63 Ca 0.22 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1win h ASP 63 Cb 0.21 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1win h ASP 63 CO -0.02 -0.02 0.00 -0.38 -3.12 0.00 0.00 179.24 175.70 1win n ILE 64 N -5.17 0.00 -0.35 0.35 -0.00 -1.12 -0.60 119.36 112.48 1win n ILE 64 Ca 0.01 1.49 0.11 0.00 -0.00 0.00 0.00 62.75 64.36 1win n ILE 64 Cb 0.18 -2.30 0.22 0.00 -0.00 0.00 0.00 39.64 37.74 1win n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1win n LYS 65 N -2.35 -0.08 -0.21 0.38 4.01 -1.17 0.18 118.16 118.92 1win n LYS 65 Ca 0.00 1.51 -0.00 0.00 -0.51 0.00 0.00 58.31 59.31 1win n LYS 65 Cb 0.00 -2.33 0.23 0.00 -0.51 0.00 0.00 35.03 32.43 1win n LYS 65 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1win h ASN 66 N 0.00 0.86 0.60 4.39 2.35 -0.99 0.30 115.58 123.10 1win h ASN 66 Ca 0.54 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.22 1win h ASN 66 Cb 0.99 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.15 1win h ASN 66 CO -0.97 0.65 -0.29 0.58 -1.65 0.00 0.00 177.43 175.76 1win h VAL 67 N 1.00 0.28 -0.58 2.81 2.07 0.44 0.13 116.25 122.40 1win h VAL 67 Ca 0.26 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1win h VAL 67 Cb -0.06 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1win h VAL 67 CO -0.05 0.03 0.39 0.58 0.02 0.00 0.00 177.57 178.54 1win h VAL 68 N -1.04 1.09 -0.26 2.57 2.07 -1.09 -1.95 116.25 117.64 1win h VAL 68 Ca -0.08 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 1win h VAL 68 Cb 0.67 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1win h VAL 68 CO 0.14 0.13 -0.53 0.25 0.02 0.00 0.00 177.57 177.57 1win h LEU 69 N 0.70 0.84 -1.22 2.57 5.85 -0.86 -3.09 115.31 120.10 1win h LEU 69 Ca 0.23 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1win h LEU 69 Cb 0.05 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1win h LEU 69 CO -0.06 1.21 0.55 1.56 -0.34 0.00 0.00 178.44 181.36 1win h GLN 70 N 0.58 0.92 0.32 1.25 4.20 0.06 0.47 115.11 122.92 1win h GLN 70 Ca 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1win h GLN 70 Cb 1.11 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1win h GLN 70 CO 0.11 0.61 -0.16 1.15 -0.67 0.00 0.00 178.83 179.88 1win h THR 71 N 0.95 0.70 0.53 -0.54 2.02 -1.42 -1.27 112.91 113.87 1win h THR 71 Ca 0.36 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1win h THR 71 Cb 0.20 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1win h THR 71 CO -0.13 0.07 -0.25 -0.07 0.37 0.00 0.00 175.52 175.51 1win h LEU 72 N -0.64 -0.60 -0.87 2.58 3.38 -1.43 -2.83 115.31 114.91 1win h LEU 72 Ca -0.04 -0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.11 1win h LEU 72 Cb 0.45 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.22 1win h LEU 72 CO 0.07 -0.20 0.21 -0.08 0.09 0.00 0.00 178.44 178.53 1win h GLU 73 N -1.09 0.19 0.75 1.13 4.81 -0.17 -1.52 114.58 118.68 1win h GLU 73 Ca -0.07 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1win h GLU 73 Cb 0.60 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1win h GLU 73 CO 0.12 0.13 -0.48 0.78 -0.73 0.00 0.00 179.01 178.82 1win h GLY 74 N 0.20 -1.32 -0.23 1.92 0.00 -1.23 -2.78 103.07 99.63 1win h GLY 74 Ca 0.54 0.55 0.22 0.00 0.00 0.00 0.00 47.33 48.63 1win h GLY 74 CO -0.66 -0.44 0.36 0.45 0.00 0.00 0.00 176.54 176.25 1win h HIS 75 N -1.16 0.58 -0.55 5.60 3.86 -1.05 -1.15 115.15 121.28 1win h HIS 75 Ca -0.10 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1win h HIS 75 Cb 0.94 -0.12 -0.10 0.00 1.06 0.00 0.00 27.41 29.19 1win h HIS 75 CO -0.12 -0.07 -0.42 1.25 0.86 0.00 0.00 177.93 179.43 1win h LEU 76 N 0.36 -1.43 -0.68 2.43 5.85 -1.03 0.88 115.31 121.69 1win h LEU 76 Ca 0.55 0.24 0.06 0.00 0.84 0.00 0.00 57.88 59.57 1win h LEU 76 Cb 1.05 0.65 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 1win h LEU 76 CO -0.54 -0.34 0.38 -0.09 -0.34 0.00 0.00 178.44 177.51 1win h ARG 77 N -0.24 0.67 -0.33 1.25 2.43 -1.14 0.27 114.38 117.29 1win h ARG 77 Ca 0.18 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1win h ARG 77 Cb 0.56 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 1win h ARG 77 CO -0.66 0.44 0.04 0.77 -1.51 0.00 0.00 179.97 179.05 1win h SER 78 N 0.69 -0.04 0.43 -3.80 0.02 -0.64 -1.76 113.55 108.44 1win h SER 78 Ca 0.31 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1win h SER 78 Cb 0.20 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1win h SER 78 CO -0.19 0.01 -0.21 0.40 -1.14 0.00 0.00 176.83 175.71 1win h ILE 79 N 0.15 0.19 -1.28 3.27 1.08 -0.45 -3.20 117.51 117.26 1win h ILE 79 Ca 0.16 -0.61 0.46 0.00 -0.39 0.00 0.00 64.86 64.48 1win h ILE 79 Cb 0.19 0.29 -0.15 0.00 -3.07 0.00 0.00 36.82 34.08 1win h ILE 79 CO -0.23 0.04 0.79 -0.11 -0.69 0.00 0.00 178.15 177.96 1win n LEU 80 N -5.17 0.25 0.11 1.44 0.00 0.91 -0.48 117.00 114.06 1win n LEU 80 Ca -0.08 1.46 -0.15 0.00 0.00 0.00 0.00 56.01 57.23 1win n LEU 80 Cb 0.26 -0.72 -0.08 0.00 0.00 0.00 0.00 43.42 42.88 1win n LEU 80 CO 0.22 -1.60 0.55 1.23 0.00 0.00 0.00 177.39 177.79 1win h GLY 81 N 0.00 -0.99 0.89 -3.96 0.00 -1.31 0.14 103.07 97.83 1win h GLY 81 Ca 0.87 0.58 0.00 0.00 0.00 0.00 0.00 47.33 48.78 1win h GLY 81 CO -0.55 -0.27 0.00 -0.37 0.00 0.00 0.00 176.54 175.35 1win n THR 82 N -5.48 0.00 -3.61 4.70 5.66 0.37 0.01 114.28 115.93 1win n THR 82 Ca -0.08 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 1win n THR 82 Cb 0.40 -0.54 -0.11 0.00 -1.55 0.00 0.00 70.33 68.53 1win n THR 82 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1win s LEU 83 N -1.89 4.06 0.21 1.09 1.98 0.04 -4.81 118.68 119.36 1win s LEU 83 Ca 0.35 -0.20 -0.30 0.00 -2.89 0.00 0.00 54.13 51.09 1win s LEU 83 Cb 0.16 -2.08 -0.08 0.00 0.66 0.00 0.00 46.19 44.84 1win s LEU 83 CO 0.27 -0.11 1.18 0.42 -1.89 0.00 0.00 176.35 176.22 1win s THR 84 N 1.71 3.52 0.12 3.68 -4.23 -1.26 -3.19 115.64 115.99 1win s THR 84 Ca 0.06 1.33 -0.24 0.00 -1.18 0.00 0.00 61.69 61.66 1win s THR 84 Cb -0.16 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 1win s THR 84 CO 0.09 0.24 1.30 0.52 -0.54 0.00 0.00 174.62 176.23 1win n VAL 85 N 2.19 -0.52 -0.26 2.29 0.31 -1.26 -1.06 118.33 120.02 1win n VAL 85 Ca 0.03 2.04 -0.07 0.00 -0.01 0.00 0.00 64.34 66.33 1win n VAL 85 Cb 0.45 -2.53 -0.06 0.00 -0.91 0.00 0.00 33.84 30.78 1win n VAL 85 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1win n GLU 86 N -4.81 -0.27 -0.21 5.55 1.02 -1.26 -0.34 120.64 120.31 1win n GLU 86 Ca 0.02 1.27 -0.02 0.00 -0.02 0.00 0.00 57.16 58.41 1win n GLU 86 Cb 0.20 -1.88 0.05 0.00 -0.02 0.00 0.00 31.44 29.78 1win n GLU 86 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1win h GLN 87 N 0.00 -0.06 -0.39 3.49 4.20 -1.48 0.17 115.11 121.05 1win h GLN 87 Ca 0.10 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1win h GLN 87 Cb 0.26 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 1win h GLN 87 CO -0.59 -0.04 -0.30 0.82 -0.67 0.00 0.00 178.83 178.05 1win h ILE 88 N -0.06 0.26 0.39 2.54 2.04 0.16 -1.73 117.51 121.11 1win h ILE 88 Ca 0.29 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 1win h ILE 88 Cb 0.51 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1win h ILE 88 CO -0.68 0.00 -0.19 1.88 0.00 0.00 0.00 178.15 179.17 1win h TYR 89 N -0.24 -0.48 -0.47 1.37 -1.99 0.03 -3.18 116.97 112.01 1win h TYR 89 Ca 0.18 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.94 1win h TYR 89 Cb 0.52 0.16 -0.06 0.00 2.00 0.00 0.00 36.73 39.36 1win h TYR 89 CO -0.52 -0.24 -0.28 1.04 -0.00 0.00 0.00 178.16 178.17 1win n GLN 90 N -5.27 -0.21 -3.97 4.88 6.02 0.47 -4.10 117.38 115.21 1win n GLN 90 Ca -0.11 1.22 -0.31 0.00 -0.01 0.00 0.00 57.00 57.79 1win n GLN 90 Cb 0.25 -1.80 -0.15 0.00 1.02 0.00 0.00 30.24 29.55 1win n GLN 90 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1win s ASP 91 N -4.19 3.99 -0.10 1.08 1.11 -0.69 -4.99 116.67 112.87 1win s ASP 91 Ca -0.06 -1.23 -0.24 0.00 0.18 0.00 0.00 52.55 51.21 1win s ASP 91 Cb 0.05 -1.26 -0.28 0.00 1.07 0.00 0.00 42.92 42.50 1win s ASP 91 CO 0.29 -0.23 0.77 0.03 1.18 0.00 0.00 175.17 177.22 1win h ARG 92 N 7.91 0.17 -0.35 8.23 3.08 -1.70 -3.27 114.38 128.46 1win h ARG 92 Ca -0.18 -0.29 0.07 0.00 0.07 0.00 0.00 59.98 59.65 1win h ARG 92 Cb 1.06 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 1win h ARG 92 CO 0.42 1.14 -0.34 -0.44 -1.07 0.00 0.00 179.97 179.68 1win h ASP 93 N -0.62 -1.12 -0.47 7.04 3.32 -1.94 -1.31 116.42 121.31 1win h ASP 93 Ca -0.12 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.21 1win h ASP 93 Cb 1.41 0.51 -0.09 0.00 0.22 0.00 0.00 39.33 41.39 1win h ASP 93 CO 0.07 -0.34 -0.08 -0.61 -1.72 0.00 0.00 179.24 176.56 1win h GLN 94 N -0.29 0.03 -0.24 3.56 5.75 -1.98 -1.93 115.11 120.02 1win h GLN 94 Ca 0.15 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 1win h GLN 94 Cb 0.55 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.04 1win h GLN 94 CO -0.51 0.02 -0.32 0.35 -2.65 0.00 0.00 178.83 175.73 1win h PHE 95 N 0.04 -0.97 -0.34 3.99 3.57 -1.30 -2.07 116.94 119.86 1win h PHE 95 Ca 0.23 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1win h PHE 95 Cb 0.35 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.46 1win h PHE 95 CO -0.37 -0.28 -0.32 0.00 -2.23 0.00 0.00 178.31 175.12 1win h ALA 96 N -0.58 -0.21 -0.77 2.41 0.00 -1.14 -0.42 119.26 118.55 1win h ALA 96 Ca 0.04 0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.35 1win h ALA 96 Cb 0.34 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1win h ALA 96 CO -0.34 -0.73 0.38 1.17 0.00 0.00 0.00 179.25 179.72 1win n LYS 97 N -5.41 -0.05 -0.04 0.00 4.81 -0.75 0.17 118.16 116.89 1win n LYS 97 Ca 0.00 1.08 -0.14 0.00 -0.87 0.00 0.00 58.31 58.38 1win n LYS 97 Cb 0.33 -1.91 -0.09 0.00 0.02 0.00 0.00 35.03 33.38 1win n LYS 97 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1win h LEU 98 N 0.00 0.26 -1.65 3.14 3.38 -0.81 0.82 115.31 120.45 1win h LEU 98 Ca 0.64 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1win h LEU 98 Cb 1.66 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 1win h LEU 98 CO -0.61 0.78 0.31 0.58 0.09 0.00 0.00 178.44 179.58 1win h VAL 99 N -0.24 1.00 0.00 1.22 2.07 0.20 0.50 116.25 121.00 1win h VAL 99 Ca 0.00 -0.15 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 1win h VAL 99 Cb 0.73 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1win h VAL 99 CO 0.03 0.08 -1.30 0.08 0.02 0.00 0.00 177.57 176.48 1win h ARG 100 N 0.44 0.00 -0.13 1.57 0.11 -0.81 -2.79 114.38 112.77 1win h ARG 100 Ca 0.19 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.11 1win h ARG 100 Cb 0.22 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1win h ARG 100 CO -0.05 0.70 -0.60 0.93 0.10 0.00 0.00 179.97 181.05 1win h GLU 101 N 0.00 0.44 0.02 0.08 5.08 0.17 0.56 114.58 120.93 1win h GLU 101 Ca -0.14 -0.30 -0.24 0.00 -1.00 0.00 0.00 59.36 57.69 1win h GLU 101 Cb 1.84 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.10 1win h GLU 101 CO 0.10 0.91 -1.16 -0.24 -1.00 0.00 0.00 179.01 177.62 1win h VAL 102 N 0.33 1.54 0.11 3.13 3.04 -1.05 -3.34 116.25 120.00 1win h VAL 102 Ca -0.00 -3.24 -0.31 0.00 -1.01 0.00 0.00 66.70 62.13 1win h VAL 102 Cb 1.14 2.80 -0.01 0.00 -2.01 0.00 0.00 31.29 33.21 1win h VAL 102 CO 0.11 0.89 -1.59 0.00 -1.01 0.00 0.00 177.57 175.96 1win h ALA 103 N 0.91 0.34 -0.79 3.17 0.00 -1.47 -3.34 119.26 118.09 1win h ALA 103 Ca -0.08 -1.17 0.07 0.00 0.00 0.00 0.00 54.91 53.73 1win h ALA 103 Cb 1.85 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 19.88 1win h ALA 103 CO 0.14 1.20 -0.46 0.00 0.00 0.00 0.00 179.25 180.12 1win n ALA 104 N -2.69 -0.50 0.31 0.00 0.00 0.19 0.20 120.51 118.03 1win n ALA 104 Ca -0.18 0.67 0.16 0.00 0.00 0.00 0.00 53.44 54.09 1win n ALA 104 Cb 1.04 -0.10 0.65 0.00 0.00 0.00 0.00 19.45 21.05 1win n ALA 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1win h PRO 105 N 0.00 0.00 0.08 0.00 0.13 -1.74 -3.14 132.00 127.33 1win h PRO 105 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1win h PRO 105 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1win h PRO 105 CO -0.74 0.00 -0.04 0.22 -0.23 0.00 0.00 178.00 177.21 1win h ASP 106 N 0.00 -0.09 -0.90 1.44 1.82 0.22 -3.34 116.42 115.57 1win h ASP 106 Ca 0.00 -0.33 0.19 0.00 -0.39 0.00 0.00 57.03 56.50 1win h ASP 106 Cb 0.45 0.02 -0.11 0.00 0.68 0.00 0.00 39.33 40.37 1win h ASP 106 CO 0.00 0.53 0.45 -0.37 -1.61 0.00 0.00 179.24 178.24 1win h VAL 107 N -0.98 0.61 -1.29 2.25 -1.51 -0.40 0.10 116.25 115.04 1win h VAL 107 Ca -0.01 -0.19 0.37 0.00 -1.23 0.00 0.00 66.70 65.64 1win h VAL 107 Cb 0.42 0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 29.53 1win h VAL 107 CO 0.02 0.10 0.92 1.23 -1.23 0.00 0.00 177.57 178.61 1win h GLY 108 N 0.55 0.12 0.69 5.19 0.00 -1.43 -0.46 103.07 107.73 1win h GLY 108 Ca 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1win h GLY 108 CO -0.44 -0.02 -0.34 3.21 0.00 0.00 0.00 176.54 178.95 1win h ARG 109 N 0.03 -0.71 -0.16 4.80 2.47 -0.93 -2.69 114.38 117.18 1win h ARG 109 Ca 0.63 0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 59.29 1win h ARG 109 Cb 2.43 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 30.90 1win h ARG 109 CO -0.04 -0.48 -0.36 0.00 0.56 0.00 0.00 179.97 179.65 1win h MET 110 N -0.74 0.34 0.00 0.04 -0.00 -1.27 -3.47 114.93 109.83 1win h MET 110 Ca -0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1win h MET 110 Cb 0.65 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1win h MET 110 CO -0.03 0.66 0.00 0.41 -0.00 0.00 0.00 176.91 177.95 1win n GLY 111 N -0.23 1.92 3.38 -3.00 0.00 -0.63 -3.56 105.19 103.07 1win n GLY 111 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1win n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1win s ILE 112 N -1.92 2.38 -0.12 -0.61 -1.09 -0.95 -3.75 121.20 115.13 1win s ILE 112 Ca 0.00 -1.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.26 1win s ILE 112 Cb 0.00 -1.92 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1win s ILE 112 CO 0.00 0.45 -0.21 -0.70 -1.23 0.00 0.00 174.94 173.25 1win s GLU 113 N -1.04 3.11 0.05 2.79 2.12 -1.17 -2.45 118.70 122.10 1win s GLU 113 Ca 0.12 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 1win s GLU 113 Cb -0.10 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.81 1win s GLU 113 CO 0.02 0.11 1.07 0.96 -0.54 0.00 0.00 175.26 176.87 1win s ILE 114 N 0.54 4.45 -0.14 -3.70 -5.25 -1.26 -3.33 121.20 112.51 1win s ILE 114 Ca -0.13 1.81 -0.11 0.00 -0.99 0.00 0.00 60.65 61.24 1win s ILE 114 Cb -0.17 -4.16 -0.07 0.00 2.95 0.00 0.00 42.46 41.01 1win s ILE 114 CO 0.04 0.17 0.02 -0.07 -1.79 0.00 0.00 174.94 173.31 1win h LEU 115 N 6.53 0.00 -7.32 0.37 3.38 -1.76 -3.50 115.31 113.02 1win h LEU 115 Ca -0.42 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 1win h LEU 115 Cb 1.22 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 1win h LEU 115 CO 0.77 0.85 -0.11 -0.44 0.09 0.00 0.00 178.44 179.60 1win s SER 116 N -5.94 -0.37 -0.10 -0.43 0.01 -1.22 -4.98 113.70 100.66 1win s SER 116 Ca -0.14 0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.47 1win s SER 116 Cb 0.02 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.71 1win s SER 116 CO 0.28 -0.48 -0.06 0.12 0.41 0.00 0.00 173.24 173.51 1win s PHE 117 N -1.16 1.29 0.35 2.43 2.19 -1.26 -0.50 117.98 121.32 1win s PHE 117 Ca -0.12 -0.60 0.04 0.00 0.33 0.00 0.00 56.93 56.58 1win s PHE 117 Cb -0.03 -1.13 -0.03 0.00 -1.31 0.00 0.00 43.02 40.51 1win s PHE 117 CO 0.06 -0.47 0.15 0.99 1.83 0.00 0.00 175.22 177.78 1win s THR 118 N 1.77 0.48 -0.11 0.12 2.01 0.13 -4.55 115.64 115.49 1win s THR 118 Ca 0.05 -2.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.05 1win s THR 118 Cb -0.12 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1win s THR 118 CO -0.08 0.00 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.14 1win s ILE 119 N -3.41 3.48 0.00 1.82 -1.09 -1.26 -0.25 121.20 120.50 1win s ILE 119 Ca 0.31 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1win s ILE 119 Cb 0.04 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 1win s ILE 119 CO 0.17 0.55 0.00 1.17 -1.23 0.00 0.00 174.94 175.60 1win n LYS 120 N 2.95 0.00 -3.64 2.79 3.00 -1.26 -4.77 118.16 117.23 1win n LYS 120 Ca -0.18 0.20 -0.12 0.00 -0.00 0.00 0.00 58.31 58.21 1win n LYS 120 Cb 0.53 -0.63 -0.07 0.00 0.00 0.00 0.00 35.03 34.86 1win n LYS 120 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1win s ASP 121 N -2.58 -0.78 -0.16 3.14 -1.08 -1.26 -4.94 116.67 109.01 1win s ASP 121 Ca 0.00 1.40 -0.01 0.00 -0.52 0.00 0.00 52.55 53.43 1win s ASP 121 Cb 0.00 1.37 -0.01 0.00 -1.46 0.00 0.00 42.92 42.82 1win s ASP 121 CO 0.00 -0.24 -0.13 0.68 0.52 0.00 0.00 175.17 176.01 1win s VAL 122 N 0.82 2.90 0.18 1.11 -7.23 -1.26 -2.02 120.40 114.90 1win s VAL 122 Ca -0.04 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1win s VAL 122 Cb -0.05 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1win s VAL 122 CO -0.06 0.50 0.06 -0.72 -0.31 0.00 0.00 175.10 174.57 1win s TYR 123 N 0.77 1.17 -0.35 2.82 1.13 0.11 -4.96 117.35 118.05 1win s TYR 123 Ca -0.05 -1.18 -0.10 0.00 -1.41 0.00 0.00 57.07 54.33 1win s TYR 123 Cb -0.15 -0.65 0.02 0.00 -1.10 0.00 0.00 41.96 40.07 1win s TYR 123 CO 0.01 -0.40 0.18 0.16 -2.51 0.00 0.00 175.55 172.99 1win s ASP 124 N -3.17 5.65 0.51 -0.18 -4.77 -1.26 0.77 116.67 114.22 1win s ASP 124 Ca 0.30 -0.87 0.29 0.00 -3.30 0.00 0.00 52.55 48.96 1win s ASP 124 Cb 0.07 -2.01 1.27 0.00 -1.09 0.00 0.00 42.92 41.16 1win s ASP 124 CO 0.07 -0.33 1.97 0.11 0.70 0.00 0.00 175.17 177.68 1win h LYS 125 N 8.40 0.00 -0.34 2.11 1.79 -1.91 -2.03 116.57 124.60 1win h LYS 125 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1win h LYS 125 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1win h LYS 125 CO 0.65 0.12 0.00 1.33 -1.08 0.00 0.00 179.45 180.47 1win n VAL 126 N -3.35 0.44 -3.94 0.50 0.24 -1.26 -4.95 118.33 106.01 1win n VAL 126 Ca -0.00 -0.56 -0.28 0.00 -2.04 0.00 0.00 64.34 61.46 1win n VAL 126 Cb 0.33 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 1win n VAL 126 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1win n ASP 127 N 0.84 -1.31 0.10 -1.34 8.00 -0.76 -4.91 116.55 117.17 1win n ASP 127 Ca 0.17 -1.05 -0.05 0.00 0.71 0.00 0.00 54.79 54.57 1win n ASP 127 Cb 0.43 -2.90 -0.03 0.00 -0.02 0.00 0.00 41.12 38.61 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1win h TYR 128 N -1.90 -0.32 -0.20 1.24 3.20 -1.93 -2.94 116.97 114.13 1win h TYR 128 Ca -0.65 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.11 1win h TYR 128 Cb 1.38 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 1win h TYR 128 CO 0.46 -0.20 -0.30 1.37 -1.64 0.00 0.00 178.16 177.84 1win h LEU 129 N -1.03 0.61 -0.77 2.82 8.10 -1.94 -3.18 115.31 119.91 1win h LEU 129 Ca -0.04 -0.52 0.14 0.00 0.11 0.00 0.00 57.88 57.57 1win h LEU 129 Cb 0.27 -0.17 -0.09 0.00 -0.44 0.00 0.00 40.66 40.22 1win h LEU 129 CO 0.06 1.01 0.33 -1.28 -4.11 0.00 0.00 178.44 174.45 1win h SER 130 N 0.22 0.34 -0.65 0.17 0.87 -1.95 -0.60 113.55 111.94 1win h SER 130 Ca 0.02 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1win h SER 130 Cb 0.88 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 1win h SER 130 CO 0.07 0.13 0.40 -1.28 -0.53 0.00 0.00 176.83 175.62 1win h SER 131 N 0.48 0.64 -0.74 6.23 0.87 -1.50 -1.52 113.55 118.01 1win h SER 131 Ca 0.42 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 61.15 1win h SER 131 Cb 0.63 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1win h SER 131 CO -0.39 0.44 0.50 -0.07 -0.53 0.00 0.00 176.83 176.78 1win h LEU 132 N 0.77 0.32 -2.58 2.23 3.38 -1.09 -3.47 115.31 114.87 1win h LEU 132 Ca 0.27 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1win h LEU 132 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1win h LEU 132 CO -0.12 0.16 -0.67 0.61 0.09 0.00 0.00 178.44 178.51 1win n GLY 133 N -1.55 -0.99 3.62 0.83 0.00 -0.58 -4.99 105.19 101.54 1win n GLY 133 Ca 0.14 1.24 -0.34 0.00 0.00 0.00 0.00 46.02 47.06 1win n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1win s LYS 134 N -2.56 3.63 -0.04 1.61 -2.85 -1.26 -5.10 119.74 113.16 1win s LYS 134 Ca 0.28 -0.40 -0.10 0.00 -1.00 0.00 0.00 55.97 54.76 1win s LYS 134 Cb -0.06 -3.03 0.02 0.00 -2.06 0.00 0.00 37.83 32.70 1win s LYS 134 CO 0.79 0.40 0.23 0.99 0.10 0.00 0.00 175.35 177.86 1win s THR 135 N -0.01 0.04 0.61 3.79 2.01 -1.26 -5.02 115.64 115.80 1win s THR 135 Ca 0.04 -0.33 0.34 0.00 0.31 0.00 0.00 61.69 62.05 1win s THR 135 Cb -0.13 -0.44 0.38 0.00 0.01 0.00 0.00 72.50 72.32 1win s THR 135 CO 0.02 -0.18 2.26 0.06 -0.69 0.00 0.00 174.62 176.09 1win h GLN 136 N 4.82 0.00 -6.25 4.92 3.07 -2.07 -3.46 115.11 116.14 1win h GLN 136 Ca -0.28 0.00 -0.44 0.00 0.09 0.00 0.00 58.65 58.01 1win h GLN 136 Cb 1.19 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.79 1win h GLN 136 CO 0.38 0.00 -0.90 2.41 0.09 0.00 0.00 178.83 180.81 1win n THR 137 N -3.61 -4.84 -3.20 1.86 -1.04 -1.26 -4.98 114.28 97.21 1win n THR 137 Ca -0.02 -0.74 0.04 0.00 -2.04 0.00 0.00 64.05 61.28 1win n THR 137 Cb 0.11 -3.79 -0.02 0.00 -1.82 0.00 0.00 70.33 64.81 1win n THR 137 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1win s SER 138 N -3.93 -1.00 0.00 8.00 1.04 -1.26 -5.11 113.70 111.44 1win s SER 138 Ca 0.23 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1win s SER 138 Cb -0.08 1.88 0.00 0.00 0.10 0.00 0.00 66.02 67.92 1win s SER 138 CO 0.85 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.50 1win n GLY 139 N 5.41 -1.40 3.64 7.32 0.00 -1.26 -5.18 105.19 113.72 1win n GLY 139 Ca -0.04 0.84 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 1win n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1win s PRO 140 N 0.00 -0.36 0.32 1.61 0.04 -1.26 -5.09 135.00 130.26 1win s PRO 140 Ca 0.00 0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.32 1win s PRO 140 Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1win s PRO 140 CO 0.00 -3.20 0.13 -1.54 0.04 0.00 0.00 177.00 172.43 1win s SER 141 N -3.64 1.82 0.03 6.66 1.04 -1.26 -5.09 113.70 113.26 1win s SER 141 Ca 0.68 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1win s SER 141 Cb -0.15 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1win s SER 141 CO 0.57 -0.84 0.00 -0.24 0.98 0.00 0.00 173.24 173.71 1win n SER 142 N -0.90 0.14 0.00 7.02 2.88 -1.26 -5.36 113.62 116.13 1win n SER 142 Ca -0.01 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1win n SER 142 Cb 0.65 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1win n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42