#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win n SER 2 N 0.00 5.77 -4.33 1.61 3.41 -1.26 -4.82 113.62 114.00 1win n SER 2 Ca 0.00 -2.73 -0.46 0.00 -0.26 0.00 0.00 58.87 55.42 1win n SER 2 Cb 0.00 -1.24 -0.04 0.00 -0.26 0.00 0.00 64.21 62.67 1win n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1win s SER 3 N 1.30 6.33 -0.14 4.04 0.01 -1.26 -5.04 113.70 118.94 1win s SER 3 Ca 0.41 -1.93 -0.29 0.00 1.31 0.00 0.00 55.95 55.46 1win s SER 3 Cb 0.24 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 1win s SER 3 CO -0.05 -0.85 0.98 -0.83 0.41 0.00 0.00 173.24 172.89 1win s GLY 4 N 3.30 2.21 -0.36 3.44 0.00 -1.26 -5.01 107.32 109.62 1win s GLY 4 Ca 0.09 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1win s GLY 4 CO 0.01 1.91 0.08 -0.56 0.00 0.00 0.00 173.10 174.53 1win s SER 5 N 1.12 4.72 -0.24 1.64 0.01 -1.26 -5.07 113.70 114.63 1win s SER 5 Ca 0.46 -2.26 -0.30 0.00 1.31 0.00 0.00 55.95 55.15 1win s SER 5 Cb -0.17 -1.63 -0.07 0.00 0.21 0.00 0.00 66.02 64.35 1win s SER 5 CO 0.15 -0.36 2.20 -0.24 0.41 0.00 0.00 173.24 175.39 1win n SER 6 N 4.12 3.02 0.00 2.44 2.88 -1.26 -4.75 113.62 120.08 1win n SER 6 Ca 0.04 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1win n SER 6 Cb 0.41 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1win n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1win n GLY 7 N 5.88 4.24 1.19 0.46 0.00 -1.26 -4.97 105.19 110.73 1win n GLY 7 Ca 0.32 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.84 2.43 -4.31 1.61 6.02 -1.26 -5.03 117.38 115.00 1win n GLN 8 Ca 0.00 -3.66 -0.29 0.00 -0.01 0.00 0.00 57.00 53.03 1win n GLN 8 Cb 0.00 -1.89 -0.11 0.00 1.02 0.00 0.00 30.24 29.26 1win n GLN 8 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1win s ARG 9 N -3.39 1.78 0.80 -1.09 1.70 -1.26 -5.10 118.95 112.39 1win s ARG 9 Ca 0.43 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 54.33 1win s ARG 9 Cb 0.39 -2.11 -0.10 0.00 -0.57 0.00 0.00 34.95 32.56 1win s ARG 9 CO -0.02 0.48 -0.16 1.51 -1.08 0.00 0.00 175.30 176.03 1win n ILE 10 N 0.75 0.44 -3.63 4.99 3.06 -1.26 -4.93 119.36 118.78 1win n ILE 10 Ca -0.15 -0.44 -0.40 0.00 -2.50 0.00 0.00 62.75 59.26 1win n ILE 10 Cb 0.53 -0.26 -0.11 0.00 0.54 0.00 0.00 39.64 40.35 1win n ILE 10 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1win s SER 11 N -1.24 5.59 -0.17 9.51 1.04 -1.26 -4.92 113.70 122.25 1win s SER 11 Ca 0.53 -1.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.51 1win s SER 11 Cb -0.31 -1.97 -0.23 0.00 0.10 0.00 0.00 66.02 63.62 1win s SER 11 CO 0.71 -0.49 0.17 -0.11 0.98 0.00 0.00 173.24 174.50 1win n LEU 12 N 4.90 2.70 -3.32 2.42 0.00 -1.26 -4.85 117.00 117.59 1win n LEU 12 Ca -0.10 0.12 -0.30 0.00 0.00 0.00 0.00 56.01 55.72 1win n LEU 12 Cb 0.43 -1.05 0.02 0.00 0.00 0.00 0.00 43.42 42.82 1win n LEU 12 CO 0.37 0.85 -0.72 -0.62 0.00 0.00 0.00 177.39 177.28 1win n GLU 13 N -3.47 0.00 -1.69 1.96 4.71 -1.26 -3.67 120.64 117.21 1win n GLU 13 Ca -0.36 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.36 1win n GLU 13 Cb 1.01 -0.80 -0.01 0.00 -1.01 0.00 0.00 31.44 30.63 1win n GLU 13 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1win n ILE 14 N -1.49 1.72 -4.71 -3.67 5.41 -1.26 -4.53 119.36 110.82 1win n ILE 14 Ca 0.03 -0.43 -0.33 0.00 1.00 0.00 0.00 62.75 63.02 1win n ILE 14 Cb 0.40 -1.56 -0.12 0.00 -0.71 0.00 0.00 39.64 37.65 1win n ILE 14 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1win s MET 15 N -1.48 2.79 -0.43 0.38 -1.94 0.25 -4.96 119.30 113.90 1win s MET 15 Ca 0.59 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.86 1win s MET 15 Cb -0.59 -2.54 0.08 0.00 2.01 0.00 0.00 34.83 33.79 1win s MET 15 CO 0.59 0.58 0.28 0.99 -0.01 0.00 0.00 175.02 177.45 1win s THR 16 N -0.59 4.32 -0.15 2.05 2.01 -1.26 -0.86 115.64 121.16 1win s THR 16 Ca 0.09 -1.40 -0.01 0.00 0.31 0.00 0.00 61.69 60.68 1win s THR 16 Cb -0.12 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1win s THR 16 CO 0.02 -0.54 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.54 1win s LEU 17 N 1.44 2.78 -0.51 4.42 1.43 -1.21 -5.01 118.68 122.01 1win s LEU 17 Ca 0.03 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1win s LEU 17 Cb -0.23 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.47 1win s LEU 17 CO 0.02 0.14 0.45 -1.10 0.23 0.00 0.00 176.35 176.08 1win s GLN 18 N 0.53 2.84 -1.18 1.70 -1.52 -1.26 -3.00 119.66 117.77 1win s GLN 18 Ca -0.08 -1.69 -0.23 0.00 -1.95 0.00 0.00 55.36 51.41 1win s GLN 18 Cb -0.15 -4.18 -0.09 0.00 -0.22 0.00 0.00 33.01 28.37 1win s GLN 18 CO 0.04 -1.26 1.94 -1.25 -0.25 0.00 0.00 175.29 174.50 1win s PRO 19 N 1.53 2.49 -0.00 2.91 0.04 -1.25 -4.92 135.00 135.80 1win s PRO 19 Ca 0.04 -1.14 -0.11 0.00 0.04 0.00 0.00 61.00 59.82 1win s PRO 19 Cb -0.28 -5.24 -0.05 0.00 0.04 0.00 0.00 34.50 28.97 1win s PRO 19 CO 0.02 -3.98 0.34 0.50 0.04 0.00 0.00 177.00 173.92 1win s ARG 20 N 6.50 3.76 -0.08 4.56 3.52 -0.45 -4.16 118.95 132.59 1win s ARG 20 Ca 0.68 0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 56.46 1win s ARG 20 Cb -0.01 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1win s ARG 20 CO 0.13 0.68 0.14 0.00 -0.81 0.00 0.00 175.30 175.43 1win s GLU 22 N 2.26 2.02 -0.91 0.00 -1.05 -1.26 -1.80 118.70 117.96 1win s GLU 22 Ca 0.04 -1.44 -0.02 0.00 -0.15 0.00 0.00 54.97 53.40 1win s GLU 22 Cb -0.12 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 1win s GLU 22 CO -0.06 0.39 0.77 -3.47 0.95 0.00 0.00 175.26 173.84 1win n ASP 23 N -0.39 -2.91 -4.12 0.83 2.03 -1.10 -4.97 116.55 105.92 1win n ASP 23 Ca -0.08 -0.44 -0.35 0.00 0.52 0.00 0.00 54.79 54.44 1win n ASP 23 Cb 0.58 -3.88 -0.13 0.00 -0.72 0.00 0.00 41.12 36.97 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1win s VAL 24 N -3.26 3.04 -0.00 5.18 -7.23 -1.15 -4.84 120.40 112.13 1win s VAL 24 Ca 0.12 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1win s VAL 24 Cb -0.05 -3.02 -0.08 0.00 0.56 0.00 0.00 36.38 33.79 1win s VAL 24 CO 0.54 -0.52 2.00 -1.61 -0.31 0.00 0.00 175.10 175.20 1win s GLU 25 N 1.13 4.00 0.77 4.82 2.02 -1.26 -1.72 118.70 128.47 1win s GLU 25 Ca 0.05 2.53 -0.13 0.00 0.02 0.00 0.00 54.97 57.44 1win s GLU 25 Cb -0.21 -4.19 0.20 0.00 0.10 0.00 0.00 34.13 30.02 1win s GLU 25 CO -0.04 -1.12 0.59 0.25 0.02 0.00 0.00 175.26 174.95 1win n THR 26 N 5.87 0.00 -0.13 3.63 -2.24 1.00 -4.57 114.28 117.84 1win n THR 26 Ca 0.21 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1win n THR 26 Cb 0.42 -0.91 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.64 0.27 0.00 6.98 0.00 -0.75 0.54 119.26 123.64 1win h ALA 27 Ca -0.24 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1win h ALA 27 Cb 0.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1win h ALA 27 CO 0.15 -0.45 -0.27 1.05 0.00 0.00 0.00 179.25 179.72 1win h GLU 28 N -0.01 0.00 0.00 0.00 9.09 -1.85 -3.47 114.58 118.34 1win h GLU 28 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1win h GLU 28 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1win h GLU 28 CO -0.43 0.27 0.00 0.41 0.05 0.00 0.00 179.01 179.31 1win n GLY 29 N -0.23 0.76 2.86 1.06 0.00 0.18 -5.13 105.19 104.69 1win n GLY 29 Ca -0.01 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.48 0.93 -0.05 1.61 1.01 -1.25 -4.70 120.40 117.47 1win s VAL 30 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1win s VAL 30 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1win s VAL 30 CO 0.00 0.12 1.70 0.00 0.00 0.00 0.00 175.10 176.92 1win s ALA 31 N 1.71 3.59 0.33 5.51 0.00 -1.25 -0.00 121.76 131.66 1win s ALA 31 Ca 0.01 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1win s ALA 31 Cb -0.15 -3.77 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 1win s ALA 31 CO -0.07 -1.45 -0.06 -0.51 0.00 0.00 0.00 175.76 173.66 1win s LEU 32 N 4.17 2.65 -0.14 0.00 2.01 -0.70 -4.58 118.68 122.09 1win s LEU 32 Ca 0.75 -1.22 0.01 0.00 0.01 0.00 0.00 54.13 53.68 1win s LEU 32 Cb -0.34 -0.85 0.02 0.00 0.01 0.00 0.00 46.19 45.03 1win s LEU 32 CO 0.31 -0.29 -0.15 -0.89 1.01 0.00 0.00 176.35 176.34 1win s THR 33 N -2.78 1.57 -0.25 5.49 2.01 0.22 -2.72 115.64 119.19 1win s THR 33 Ca 0.32 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1win s THR 33 Cb 0.04 -1.46 0.07 0.00 0.01 0.00 0.00 72.50 71.16 1win s THR 33 CO 0.15 0.46 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 1win s VAL 34 N 1.34 1.50 0.09 3.82 1.01 -0.74 0.49 120.40 127.92 1win s VAL 34 Ca 0.02 -1.32 -0.34 0.00 0.00 0.00 0.00 61.98 60.34 1win s VAL 34 Cb -0.13 -1.84 -0.15 0.00 0.00 0.00 0.00 36.38 34.25 1win s VAL 34 CO -0.08 -0.21 1.58 0.74 0.00 0.00 0.00 175.10 177.14 1win h THR 35 N 6.64 0.12 -1.96 3.92 2.02 -1.59 -1.91 112.91 120.16 1win h THR 35 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1win h THR 35 Cb 1.06 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1win h THR 35 CO 0.43 0.00 -0.50 0.61 0.37 0.00 0.00 175.52 176.42 1win n GLY 36 N -1.53 -3.56 3.09 2.16 0.00 -1.26 -1.34 105.19 102.76 1win n GLY 36 Ca -0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.28 -0.64 -0.04 1.61 1.01 0.92 -3.81 120.40 115.18 1win s VAL 37 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1win s VAL 37 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1win s VAL 37 CO 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 175.10 175.05 1win s ALA 38 N 2.59 0.53 -0.02 5.51 0.00 -1.16 -0.06 121.76 129.15 1win s ALA 38 Ca 0.06 0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 1win s ALA 38 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1win s ALA 38 CO -0.15 -0.05 0.79 -1.14 0.00 0.00 0.00 175.76 175.22 1win s GLN 39 N 0.98 4.49 0.22 0.00 0.74 0.13 -3.36 119.66 122.86 1win s GLN 39 Ca -0.10 1.07 0.06 0.00 0.05 0.00 0.00 55.36 56.44 1win s GLN 39 Cb -0.14 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 1win s GLN 39 CO -0.01 0.10 -0.08 0.54 -0.55 0.00 0.00 175.29 175.29 1win s VAL 40 N 0.61 1.45 0.01 1.34 0.11 -0.04 -1.74 120.40 122.13 1win s VAL 40 Ca 0.41 -2.12 -0.22 0.00 -2.93 0.00 0.00 61.98 57.12 1win s VAL 40 Cb -0.19 -2.18 0.05 0.00 -1.53 0.00 0.00 36.38 32.52 1win s VAL 40 CO 0.22 -0.49 0.50 -1.59 -3.33 0.00 0.00 175.10 170.42 1win s LYS 41 N -3.73 0.95 0.05 1.54 0.00 -1.20 0.84 119.74 118.17 1win s LYS 41 Ca 0.25 -0.11 -0.31 0.00 0.00 0.00 0.00 55.97 55.80 1win s LYS 41 Cb 0.02 0.43 -0.06 0.00 0.00 0.00 0.00 37.83 38.23 1win s LYS 41 CO 0.07 -0.31 1.21 0.42 0.00 0.00 0.00 175.35 176.75 1win s ILE 42 N -1.87 4.01 0.89 3.79 -1.09 -1.24 -3.28 121.20 122.41 1win s ILE 42 Ca -0.09 1.43 -0.11 0.00 -2.23 0.00 0.00 60.65 59.66 1win s ILE 42 Cb -0.01 -3.92 0.13 0.00 -1.58 0.00 0.00 42.46 37.07 1win s ILE 42 CO 0.03 0.10 1.09 -0.04 -1.23 0.00 0.00 174.94 174.89 1win s MET 43 N 1.20 1.31 0.30 2.79 -1.94 -1.23 -4.95 119.30 116.78 1win s MET 43 Ca 0.59 1.01 -0.03 0.00 -1.71 0.00 0.00 55.69 55.55 1win s MET 43 Cb -0.29 -1.80 -0.05 0.00 2.01 0.00 0.00 34.83 34.70 1win s MET 43 CO 0.29 -2.26 0.54 0.99 -0.01 0.00 0.00 175.02 174.56 1win s THR 44 N -2.85 5.07 -0.85 2.05 2.01 -1.26 -5.01 115.64 114.80 1win s THR 44 Ca 0.64 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.26 1win s THR 44 Cb -0.19 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1win s THR 44 CO 0.57 -0.38 1.66 -1.83 -0.69 0.00 0.00 174.62 173.96 1win s GLU 45 N -3.75 2.99 -0.18 4.92 -1.05 -1.26 -4.77 118.70 115.59 1win s GLU 45 Ca 0.42 -0.34 -0.21 0.00 -0.15 0.00 0.00 54.97 54.69 1win s GLU 45 Cb -0.10 -4.85 -0.21 0.00 -0.44 0.00 0.00 34.13 28.52 1win s GLU 45 CO 0.32 -2.68 0.34 -0.22 0.95 0.00 0.00 175.26 173.97 1win h LYS 46 N 11.37 0.05 -0.96 -4.83 3.11 -1.99 -3.48 116.57 119.83 1win h LYS 46 Ca -0.01 -0.08 0.15 0.00 -2.81 0.00 0.00 60.65 57.90 1win h LYS 46 Cb 1.05 0.03 -0.22 0.00 -1.00 0.00 0.00 32.23 32.09 1win h LYS 46 CO 1.29 1.04 0.01 -1.21 -2.81 0.00 0.00 179.45 177.76 1win s GLU 47 N -2.37 0.38 -1.07 1.90 2.02 -1.26 -4.98 118.70 113.33 1win s GLU 47 Ca -0.26 0.81 -0.01 0.00 0.02 0.00 0.00 54.97 55.53 1win s GLU 47 Cb 0.04 0.47 -0.01 0.00 0.10 0.00 0.00 34.13 34.73 1win s GLU 47 CO 0.64 -0.29 0.90 1.28 0.02 0.00 0.00 175.26 177.80 1win n LEU 48 N 5.31 -4.13 0.00 1.80 7.99 -1.26 -4.86 117.00 121.85 1win n LEU 48 Ca -0.07 -0.58 0.08 0.00 -0.01 0.00 0.00 56.01 55.43 1win n LEU 48 Cb 0.52 -2.91 0.44 0.00 -0.11 0.00 0.00 43.42 41.36 1win n LEU 48 CO -0.04 0.30 0.69 -0.11 -1.51 0.00 0.00 177.39 176.72 1win n LEU 49 N -3.70 0.00 -0.04 2.23 -0.00 -1.26 -3.33 117.00 110.90 1win n LEU 49 Ca -0.23 0.11 0.24 0.00 -0.00 0.00 0.00 56.01 56.14 1win n LEU 49 Cb 0.65 -0.11 0.70 0.00 -0.00 0.00 0.00 43.42 44.66 1win n LEU 49 CO 0.55 -0.05 1.22 0.00 -0.00 0.00 0.00 177.39 179.11 1win h ALA 50 N 2.89 2.46 -0.64 1.96 0.00 -1.98 0.20 119.26 124.15 1win h ALA 50 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1win h ALA 50 Cb 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1win h ALA 50 CO 0.00 -0.96 0.44 -0.24 0.00 0.00 0.00 179.25 178.50 1win h VAL 51 N 0.00 0.76 0.00 0.00 3.04 -1.90 -3.01 116.25 115.13 1win h VAL 51 Ca 0.31 -0.06 -0.24 0.00 -1.01 0.00 0.00 66.70 65.69 1win h VAL 51 Cb 1.54 0.56 -0.04 0.00 -2.01 0.00 0.00 31.29 31.34 1win h VAL 51 CO -0.00 0.03 -1.92 0.00 -1.01 0.00 0.00 177.57 174.66 1win n ALA 52 N -2.59 1.65 -0.10 3.17 0.00 0.58 -4.26 120.51 118.96 1win n ALA 52 Ca 0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 53.44 52.84 1win n ALA 52 Cb 0.59 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1win n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win h GLU 54 N 0.00 0.00 -0.47 0.00 4.57 -1.82 0.51 114.58 117.37 1win h GLU 54 Ca 0.04 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1win h GLU 54 Cb 0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1win h GLU 54 CO -0.22 0.06 0.06 0.37 -1.18 0.00 0.00 179.01 178.09 1win h GLN 55 N 0.00 0.74 0.00 1.92 5.75 0.63 -3.35 115.11 120.80 1win h GLN 55 Ca -0.00 -0.17 -0.32 0.00 -0.15 0.00 0.00 58.65 58.01 1win h GLN 55 Cb 0.32 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 1win h GLN 55 CO 0.01 0.71 -2.04 1.19 -2.65 0.00 0.00 178.83 176.05 1win n PHE 56 N -4.26 0.00 -1.01 3.99 3.72 0.13 -4.91 117.46 115.12 1win n PHE 56 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 1win n PHE 56 Cb 0.25 -0.71 -0.04 0.00 -0.94 0.00 0.00 39.48 38.05 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 -3.93 -0.43 0.00 4.37 4.77 0.17 -0.25 117.00 121.70 1win n LEU 57 Ca -0.38 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1win n LEU 57 Cb 0.76 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1win n LEU 57 CO 0.03 -1.70 0.00 0.61 -1.33 0.00 0.00 177.39 175.00 1win n GLY 58 N 1.22 2.47 3.61 -0.72 0.00 -1.26 -4.86 105.19 105.66 1win n GLY 58 Ca 0.13 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.14 0.02 1.61 1.02 0.65 -5.05 119.74 116.85 1win s LYS 59 Ca 0.00 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 55.91 1win s LYS 59 Cb 0.00 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1win s LYS 59 CO 0.00 -3.66 0.07 -0.80 -0.92 0.00 0.00 175.35 170.05 1win s ASN 60 N -3.95 5.58 0.49 2.83 0.01 -1.26 -4.98 114.94 113.67 1win s ASN 60 Ca 0.71 0.09 0.38 0.00 -0.71 0.00 0.00 52.86 53.33 1win s ASN 60 Cb -0.09 -1.56 1.54 0.00 0.41 0.00 0.00 41.25 41.55 1win s ASN 60 CO 0.56 0.25 1.64 -0.37 -1.51 0.00 0.00 177.10 177.67 1win h VAL 61 N 3.09 0.14 -0.20 1.60 -1.51 -1.96 1.40 116.25 118.81 1win h VAL 61 Ca -0.48 -0.02 -0.18 0.00 -1.23 0.00 0.00 66.70 64.79 1win h VAL 61 Cb 1.18 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1win h VAL 61 CO 0.63 0.01 -0.59 0.06 -1.23 0.00 0.00 177.57 176.45 1win h GLN 62 N 0.05 0.66 0.14 5.19 3.07 -1.96 -2.96 115.11 119.30 1win h GLN 62 Ca 0.82 -0.44 -0.01 0.00 0.09 0.00 0.00 58.65 59.11 1win h GLN 62 Cb 2.91 0.06 0.00 0.00 0.08 0.00 0.00 27.48 30.53 1win h GLN 62 CO -0.21 1.06 -0.07 -0.44 0.09 0.00 0.00 178.83 179.26 1win h ASP 63 N 0.49 -0.16 0.27 0.06 5.19 0.15 -2.64 116.42 119.79 1win h ASP 63 Ca 0.00 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1win h ASP 63 Cb 1.16 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 1win h ASP 63 CO 0.12 -0.05 -0.31 0.40 -3.12 0.00 0.00 179.24 176.27 1win h ILE 64 N -0.25 0.00 -1.17 0.35 5.03 -1.50 -0.03 117.51 119.95 1win h ILE 64 Ca -0.02 0.00 0.42 0.00 -0.12 0.00 0.00 64.86 65.14 1win h ILE 64 Cb 0.20 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.83 1win h ILE 64 CO 0.03 0.00 0.70 0.11 -0.68 0.00 0.00 178.15 178.32 1win h LYS 65 N -0.59 0.07 0.29 2.37 1.57 -1.56 0.17 116.57 118.89 1win h LYS 65 Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1win h LYS 65 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1win h LYS 65 CO -0.06 0.04 -0.14 -0.91 -0.57 0.00 0.00 179.45 177.82 1win h ASN 66 N 0.07 -0.33 -0.39 0.86 2.35 -0.98 -2.00 115.58 115.16 1win h ASN 66 Ca 0.83 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 56.45 1win h ASN 66 Cb 2.39 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 40.76 1win h ASN 66 CO -0.59 0.12 -0.49 0.58 -1.65 0.00 0.00 177.43 175.41 1win h VAL 67 N -0.91 0.06 -0.05 2.81 2.07 0.12 0.10 116.25 120.45 1win h VAL 67 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1win h VAL 67 Cb 0.51 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1win h VAL 67 CO 0.07 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 178.10 1win h VAL 68 N -0.37 0.65 -0.99 2.57 2.07 -1.36 -1.92 116.25 116.90 1win h VAL 68 Ca 0.11 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.82 1win h VAL 68 Cb 0.60 0.65 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 1win h VAL 68 CO -0.58 0.00 0.59 0.25 0.02 0.00 0.00 177.57 177.85 1win h LEU 69 N -0.20 0.73 -0.00 2.57 5.85 -0.55 -1.00 115.31 122.71 1win h LEU 69 Ca 0.06 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1win h LEU 69 Cb 0.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1win h LEU 69 CO -0.17 0.24 -0.03 1.56 -0.34 0.00 0.00 178.44 179.69 1win h GLN 70 N 0.72 -0.06 -0.80 1.25 4.20 -0.03 0.20 115.11 120.58 1win h GLN 70 Ca 0.58 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.49 1win h GLN 70 Cb 0.93 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.59 1win h GLN 70 CO -0.40 -0.04 0.09 1.15 -0.67 0.00 0.00 178.83 178.96 1win h THR 71 N -0.06 0.34 0.02 -0.54 2.02 -0.82 0.38 112.91 114.24 1win h THR 71 Ca 0.02 -0.05 -0.23 0.00 0.77 0.00 0.00 66.41 66.92 1win h THR 71 Cb 0.08 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1win h THR 71 CO -0.04 0.03 -0.97 -0.07 0.37 0.00 0.00 175.52 174.84 1win h LEU 72 N 0.15 0.46 0.06 2.58 3.38 -1.33 -3.24 115.31 117.38 1win h LEU 72 Ca 0.46 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1win h LEU 72 Cb 0.85 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1win h LEU 72 CO -0.66 1.20 -0.03 -0.33 0.09 0.00 0.00 178.44 178.71 1win h GLU 73 N 0.19 -0.08 -0.89 1.13 5.08 0.22 -1.87 114.58 118.35 1win h GLU 73 Ca -0.08 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.44 1win h GLU 73 Cb 1.62 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.73 1win h GLU 73 CO 0.16 -0.05 -0.30 0.41 -1.00 0.00 0.00 179.01 178.23 1win n GLY 74 N -0.39 -1.70 0.18 -3.84 0.00 0.10 0.04 105.19 99.59 1win n GLY 74 Ca -0.01 0.98 -0.11 0.00 0.00 0.00 0.00 46.02 46.87 1win n GLY 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1win h HIS 75 N 0.00 -0.35 -0.83 1.61 3.86 -1.61 -2.66 115.15 115.17 1win h HIS 75 Ca 0.36 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.74 1win h HIS 75 Cb 0.58 0.15 -0.15 0.00 1.06 0.00 0.00 27.41 29.05 1win h HIS 75 CO -0.74 -0.20 -0.22 -0.11 0.86 0.00 0.00 177.93 177.51 1win n LEU 76 N -5.27 -0.33 -0.22 2.43 7.94 0.11 0.17 117.00 121.83 1win n LEU 76 Ca -0.06 1.43 -0.06 0.00 -1.11 0.00 0.00 56.01 56.22 1win n LEU 76 Cb 0.19 -0.42 0.04 0.00 0.53 0.00 0.00 43.42 43.76 1win n LEU 76 CO 0.27 -1.36 1.13 0.03 -1.11 0.00 0.00 177.39 176.35 1win h ARG 77 N 0.00 0.84 0.07 1.96 3.08 -1.29 0.14 114.38 119.18 1win h ARG 77 Ca 0.38 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1win h ARG 77 Cb 0.59 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1win h ARG 77 CO -0.85 0.57 -0.04 1.03 -1.07 0.00 0.00 179.97 179.60 1win h SER 78 N 0.86 -0.11 0.59 7.04 0.87 0.19 0.19 113.55 123.18 1win h SER 78 Ca 0.23 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1win h SER 78 Cb -0.08 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1win h SER 78 CO -0.05 -0.07 -0.19 0.40 -0.53 0.00 0.00 176.83 176.39 1win h ILE 79 N -0.11 0.63 0.08 2.23 1.08 -0.76 -2.77 117.51 117.89 1win h ILE 79 Ca -0.00 -0.86 -0.26 0.00 -0.39 0.00 0.00 64.86 63.35 1win h ILE 79 Cb 0.10 1.55 0.01 0.00 -3.07 0.00 0.00 36.82 35.41 1win h ILE 79 CO 0.00 0.19 -1.12 0.25 -0.69 0.00 0.00 178.15 176.77 1win h LEU 80 N 0.00 0.49 -0.00 1.44 6.46 -0.06 -3.10 115.31 120.54 1win h LEU 80 Ca -0.00 -0.46 0.01 0.00 -0.12 0.00 0.00 57.88 57.31 1win h LEU 80 Cb 0.54 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1win h LEU 80 CO 0.02 1.31 -0.08 1.23 -0.62 0.00 0.00 178.44 180.31 1win h GLY 81 N 1.38 -0.08 2.00 3.75 0.00 -0.34 -1.81 103.07 107.97 1win h GLY 81 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1win h GLY 81 CO 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.65 1win h THR 82 N -0.13 0.00 -3.28 4.70 1.03 -1.66 -1.33 112.91 112.24 1win h THR 82 Ca 0.03 -0.41 -0.48 0.00 -0.01 0.00 0.00 66.41 65.54 1win h THR 82 Cb 0.17 1.37 0.03 0.00 -1.07 0.00 0.00 68.15 68.65 1win h THR 82 CO -0.08 0.00 0.03 -0.22 -0.01 0.00 0.00 175.52 175.24 1win s LEU 83 N -5.91 3.61 -0.03 0.00 2.96 -0.68 -4.81 118.68 113.82 1win s LEU 83 Ca 0.01 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 54.62 1win s LEU 83 Cb 0.09 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 1win s LEU 83 CO 0.50 -0.66 -0.14 0.42 -1.32 0.00 0.00 176.35 175.15 1win s THR 84 N -2.68 3.08 0.08 3.68 -4.23 -1.26 -2.21 115.64 112.10 1win s THR 84 Ca 0.48 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1win s THR 84 Cb -0.10 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1win s THR 84 CO 0.42 0.54 1.11 0.52 -0.54 0.00 0.00 174.62 176.67 1win n VAL 85 N 2.14 -0.34 -0.32 2.29 0.31 -1.26 0.11 118.33 121.26 1win n VAL 85 Ca -0.17 1.72 0.02 0.00 -0.01 0.00 0.00 64.34 65.91 1win n VAL 85 Cb 0.52 -2.18 0.08 0.00 -0.91 0.00 0.00 33.84 31.35 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 -4.17 -0.13 0.40 5.55 1.02 -1.26 -0.37 120.64 121.68 1win n GLU 86 Ca 0.01 1.33 -0.19 0.00 -0.02 0.00 0.00 57.16 58.29 1win n GLU 86 Cb 0.13 -1.98 -0.09 0.00 -0.02 0.00 0.00 31.44 29.48 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 -1.02 -0.95 3.49 4.20 -0.73 0.23 115.11 120.33 1win h GLN 87 Ca 0.36 0.07 0.29 0.00 0.06 0.00 0.00 58.65 59.43 1win h GLN 87 Cb 0.57 0.23 -0.16 0.00 0.30 0.00 0.00 27.48 28.42 1win h GLN 87 CO -0.87 -0.68 0.27 0.82 -0.67 0.00 0.00 178.83 177.71 1win h ILE 88 N -1.06 0.16 0.27 2.54 2.04 0.32 -1.50 117.51 120.28 1win h ILE 88 Ca -0.10 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1win h ILE 88 Cb 0.84 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1win h ILE 88 CO 0.12 0.02 -0.13 1.88 0.00 0.00 0.00 178.15 180.04 1win h TYR 89 N 0.12 -0.33 -0.56 1.37 0.05 -0.89 -3.05 116.97 113.67 1win h TYR 89 Ca 0.65 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.47 1win h TYR 89 Cb 1.45 0.11 -0.07 0.00 1.01 0.00 0.00 36.73 39.23 1win h TYR 89 CO -0.25 -0.21 -0.33 1.04 -1.05 0.00 0.00 178.16 177.36 1win n GLN 90 N -4.69 -0.25 -3.68 4.88 6.02 0.77 -3.75 117.38 116.68 1win n GLN 90 Ca -0.04 0.98 -0.30 0.00 -0.01 0.00 0.00 57.00 57.63 1win n GLN 90 Cb 0.14 -1.45 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 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 -4.88 3.90 0.10 1.08 1.01 -0.64 -4.98 116.67 112.26 1win s ASP 91 Ca -0.07 -1.56 -0.06 0.00 0.71 0.00 0.00 52.55 51.58 1win s ASP 91 Cb 0.06 -0.73 -0.18 0.00 1.01 0.00 0.00 42.92 43.08 1win s ASP 91 CO 0.35 -0.42 1.22 0.08 0.21 0.00 0.00 175.17 176.61 1win h ARG 92 N 8.16 0.39 -0.37 8.23 0.11 -1.62 -3.24 114.38 126.03 1win h ARG 92 Ca -0.15 -0.50 0.07 0.00 0.10 0.00 0.00 59.98 59.50 1win h ARG 92 Cb 1.01 0.16 -0.07 0.00 1.11 0.00 0.00 29.97 32.19 1win h ARG 92 CO 0.46 1.18 -0.05 0.38 0.10 0.00 0.00 179.97 182.04 1win h ASP 93 N 0.18 -0.26 -0.99 0.08 2.03 -1.93 -1.31 116.42 114.21 1win h ASP 93 Ca -0.11 0.10 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 1win h ASP 93 Cb 1.75 0.19 -0.05 0.00 -0.83 0.00 0.00 39.33 40.40 1win h ASP 93 CO 0.19 -0.09 0.66 -0.61 -1.03 0.00 0.00 179.24 178.36 1win h GLN 94 N 0.04 1.29 0.34 4.15 5.75 -1.98 -2.76 115.11 121.94 1win h GLN 94 Ca 0.18 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1win h GLN 94 Cb 0.26 -0.29 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1win h GLN 94 CO -0.34 0.85 -0.44 0.35 -2.65 0.00 0.00 178.83 176.59 1win h PHE 95 N 1.33 -1.24 -0.73 3.99 3.57 -1.28 -2.54 116.94 120.04 1win h PHE 95 Ca 0.37 0.02 0.16 0.00 3.53 0.00 0.00 57.97 62.05 1win h PHE 95 Cb -0.13 0.50 -0.12 0.00 2.79 0.00 0.00 35.95 38.99 1win h PHE 95 CO -0.00 -0.56 0.07 0.00 -2.23 0.00 0.00 178.31 175.59 1win h ALA 96 N -0.93 0.83 -1.24 2.41 0.00 -1.33 0.24 119.26 119.24 1win h ALA 96 Ca -0.04 0.21 0.37 0.00 0.00 0.00 0.00 54.91 55.45 1win h ALA 96 Cb 0.72 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1win h ALA 96 CO -0.11 -0.40 0.82 -0.22 0.00 0.00 0.00 179.25 179.34 1win h LYS 97 N 0.16 0.17 0.03 0.00 3.64 -1.16 0.76 116.57 120.17 1win h LYS 97 Ca 0.40 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.51 1win h LYS 97 Cb 0.70 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1win h LYS 97 CO -0.59 0.11 -1.06 -0.07 -2.27 0.00 0.00 179.45 175.58 1win h LEU 98 N 0.18 0.78 -0.42 5.20 3.38 -0.40 -0.89 115.31 123.14 1win h LEU 98 Ca 0.72 -0.65 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1win h LEU 98 Cb 2.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1win h LEU 98 CO -0.32 1.45 -0.11 0.58 0.09 0.00 0.00 178.44 180.13 1win h VAL 99 N 0.32 1.27 0.00 1.22 2.07 0.61 -1.87 116.25 119.88 1win h VAL 99 Ca -0.13 -1.22 -0.18 0.00 0.82 0.00 0.00 66.70 65.99 1win h VAL 99 Cb 1.71 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1win h VAL 99 CO 0.20 0.41 -0.84 0.08 0.02 0.00 0.00 177.57 177.44 1win h ARG 100 N 0.65 0.00 -0.09 1.57 0.11 -0.66 -2.30 114.38 113.66 1win h ARG 100 Ca 0.11 -0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.06 1win h ARG 100 Cb 0.65 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 1win h ARG 100 CO 0.04 0.84 -0.49 0.93 0.10 0.00 0.00 179.97 181.40 1win h GLU 101 N 0.00 0.23 0.03 0.08 4.39 -1.05 0.34 114.58 118.59 1win h GLU 101 Ca -0.01 -0.12 -0.25 0.00 0.34 0.00 0.00 59.36 59.32 1win h GLU 101 Cb 1.49 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.11 1win h GLU 101 CO 0.11 0.67 -1.27 -0.24 -1.16 0.00 0.00 179.01 177.11 1win h VAL 102 N 0.18 1.40 0.21 3.13 3.04 -1.33 -3.36 116.25 119.53 1win h VAL 102 Ca 0.01 -3.13 -0.31 0.00 -1.01 0.00 0.00 66.70 62.26 1win h VAL 102 Cb 0.93 2.73 0.03 0.00 -2.01 0.00 0.00 31.29 32.97 1win h VAL 102 CO 0.07 0.83 -1.44 0.00 -1.01 0.00 0.00 177.57 176.02 1win h ALA 103 N 0.90 -0.05 -0.69 3.17 0.00 -1.32 -3.30 119.26 117.97 1win h ALA 103 Ca -0.12 -0.92 0.06 0.00 0.00 0.00 0.00 54.91 53.93 1win h ALA 103 Cb 1.88 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 1win h ALA 103 CO 0.13 0.73 -0.41 0.00 0.00 0.00 0.00 179.25 179.70 1win n ALA 104 N -2.77 -0.44 0.25 0.00 0.00 0.12 0.23 120.51 117.90 1win n ALA 104 Ca -0.19 0.59 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1win n ALA 104 Cb 1.04 -0.09 0.61 0.00 0.00 0.00 0.00 19.45 21.00 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 0.21 0.00 0.13 -1.75 -3.05 132.00 127.54 1win h PRO 105 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1win h PRO 105 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1win h PRO 105 CO -0.65 0.11 -0.10 0.22 -0.23 0.00 0.00 178.00 177.35 1win h ASP 106 N 0.00 -0.24 -1.05 1.44 3.58 0.29 -3.31 116.42 117.14 1win h ASP 106 Ca -0.00 0.01 0.27 0.00 0.42 0.00 0.00 57.03 57.73 1win h ASP 106 Cb 0.58 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.59 1win h ASP 106 CO 0.01 0.18 0.68 -0.37 -2.88 0.00 0.00 179.24 176.86 1win h VAL 107 N -0.98 0.51 -0.66 2.25 -1.51 -0.24 0.12 116.25 115.75 1win h VAL 107 Ca -0.03 -0.13 0.19 0.00 -1.23 0.00 0.00 66.70 65.50 1win h VAL 107 Cb 0.22 0.10 -0.03 0.00 -2.13 0.00 0.00 31.29 29.45 1win h VAL 107 CO 0.05 0.07 0.84 1.23 -1.23 0.00 0.00 177.57 178.52 1win h GLY 108 N 0.38 0.00 0.84 5.19 0.00 -1.55 0.16 103.07 108.09 1win h GLY 108 Ca 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.90 1win h GLY 108 CO -0.29 0.00 -0.26 3.21 0.00 0.00 0.00 176.54 179.20 1win h ARG 109 N 0.00 -0.69 -0.16 4.80 3.08 -0.92 -3.11 114.38 117.38 1win h ARG 109 Ca 0.31 0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.32 1win h ARG 109 Cb 1.98 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 32.18 1win h ARG 109 CO -0.00 -0.40 -0.30 0.00 -1.07 0.00 0.00 179.97 178.20 1win h MET 110 N -0.89 0.32 0.00 0.04 -0.00 -1.19 -3.45 114.93 109.76 1win h MET 110 Ca -0.07 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1win h MET 110 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 1win h MET 110 CO 0.12 0.60 0.00 0.41 -0.00 0.00 0.00 176.91 178.04 1win n GLY 111 N -0.38 1.58 3.40 -3.00 0.00 -0.70 -3.30 105.19 102.78 1win n GLY 111 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.39 -0.06 -0.61 -1.09 -1.12 -3.52 121.20 115.19 1win s ILE 112 Ca 0.00 -1.48 0.05 0.00 -2.23 0.00 0.00 60.65 56.99 1win s ILE 112 Cb 0.00 -2.01 -0.00 0.00 -1.58 0.00 0.00 42.46 38.87 1win s ILE 112 CO 0.00 0.24 -0.22 -0.70 -1.23 0.00 0.00 174.94 173.04 1win s GLU 113 N -1.64 2.41 0.06 2.79 2.12 -1.21 -3.41 118.70 119.82 1win s GLU 113 Ca 0.14 -0.79 -0.26 0.00 0.36 0.00 0.00 54.97 54.42 1win s GLU 113 Cb -0.10 -1.98 -0.06 0.00 0.26 0.00 0.00 34.13 32.25 1win s GLU 113 CO 0.05 0.27 0.80 0.96 -0.54 0.00 0.00 175.26 176.80 1win s ILE 114 N 0.06 4.67 -0.22 -3.70 -5.25 -1.26 -3.27 121.20 112.23 1win s ILE 114 Ca -0.08 1.71 -0.17 0.00 -0.99 0.00 0.00 60.65 61.12 1win s ILE 114 Cb -0.14 -4.15 -0.13 0.00 2.95 0.00 0.00 42.46 40.99 1win s ILE 114 CO 0.05 0.37 -0.10 0.18 -1.79 0.00 0.00 174.94 173.64 1win n LEU 115 N 2.72 1.90 -3.67 0.37 4.77 -0.71 -5.01 117.00 117.36 1win n LEU 115 Ca -0.02 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 56.22 1win n LEU 115 Cb 0.50 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1win n LEU 115 CO 0.48 0.22 0.19 -0.94 -1.33 0.00 0.00 177.39 176.01 1win s SER 116 N -6.83 -0.42 -0.17 -1.43 1.04 -1.11 -4.99 113.70 99.79 1win s SER 116 Ca -0.31 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 1win s SER 116 Cb 0.08 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.81 1win s SER 116 CO 0.49 -0.43 0.02 0.12 0.98 0.00 0.00 173.24 174.41 1win s PHE 117 N -0.89 1.04 0.34 5.02 2.19 -1.26 -0.69 117.98 123.73 1win s PHE 117 Ca -0.09 -0.76 0.03 0.00 0.33 0.00 0.00 56.93 56.44 1win s PHE 117 Cb -0.03 -1.02 -0.04 0.00 -1.31 0.00 0.00 43.02 40.62 1win s PHE 117 CO 0.05 -0.56 0.11 0.99 1.83 0.00 0.00 175.22 177.64 1win s THR 118 N 1.85 0.72 -0.17 0.12 2.01 0.91 -4.54 115.64 116.55 1win s THR 118 Ca 0.00 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 59.97 1win s THR 118 Cb -0.16 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1win s THR 118 CO -0.07 0.00 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.18 1win s ILE 119 N -3.39 3.64 -0.09 1.82 -1.09 -1.26 -0.05 121.20 120.78 1win s ILE 119 Ca 0.32 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.25 1win s ILE 119 Cb 0.06 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.30 1win s ILE 119 CO 0.15 0.48 0.20 0.50 -1.23 0.00 0.00 174.94 175.04 1win h LYS 120 N 7.08 -0.12 -1.49 2.79 3.64 -1.89 -3.46 116.57 123.12 1win h LYS 120 Ca -0.32 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.15 1win h LYS 120 Cb 1.19 0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.77 1win h LYS 120 CO 0.61 -0.02 0.55 0.34 -2.27 0.00 0.00 179.45 178.66 1win s ASP 121 N -5.45 -0.36 -0.12 4.20 2.15 -1.26 -4.96 116.67 110.86 1win s ASP 121 Ca -0.03 0.65 0.02 0.00 0.43 0.00 0.00 52.55 53.62 1win s ASP 121 Cb 0.00 0.64 -0.00 0.00 -0.30 0.00 0.00 42.92 43.26 1win s ASP 121 CO 0.10 -0.15 -0.20 0.68 -0.17 0.00 0.00 175.17 175.43 1win s VAL 122 N -0.04 2.36 0.27 1.11 -7.23 -1.26 -1.62 120.40 113.99 1win s VAL 122 Ca 0.03 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1win s VAL 122 Cb -0.04 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1win s VAL 122 CO -0.07 0.54 0.15 -0.72 -0.31 0.00 0.00 175.10 174.70 1win s TYR 123 N 0.53 1.48 -0.30 2.82 1.13 0.18 -4.97 117.35 118.23 1win s TYR 123 Ca -0.12 -1.36 -0.07 0.00 -1.41 0.00 0.00 57.07 54.10 1win s TYR 123 Cb -0.17 -0.77 0.00 0.00 -1.10 0.00 0.00 41.96 39.93 1win s TYR 123 CO 0.04 -0.55 0.09 0.16 -2.51 0.00 0.00 175.55 172.79 1win s ASP 124 N -3.30 5.21 0.19 -0.18 1.47 -1.26 0.73 116.67 119.53 1win s ASP 124 Ca 0.37 -0.64 -0.06 0.00 1.18 0.00 0.00 52.55 53.40 1win s ASP 124 Cb 0.06 -1.91 0.12 0.00 -0.34 0.00 0.00 42.92 40.85 1win s ASP 124 CO 0.16 -0.18 1.60 0.11 0.68 0.00 0.00 175.17 177.54 1win h LYS 125 N 8.26 0.86 -0.37 2.11 1.79 -1.90 -2.45 116.57 124.87 1win h LYS 125 Ca -0.32 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 1win h LYS 125 Cb 1.13 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1win h LYS 125 CO 0.61 0.99 0.00 1.33 -1.08 0.00 0.00 179.45 181.30 1win n VAL 126 N -4.11 0.24 -4.32 0.50 0.24 -1.26 -4.87 118.33 104.74 1win n VAL 126 Ca 0.00 -0.17 -0.36 0.00 -2.04 0.00 0.00 64.34 61.76 1win n VAL 126 Cb 0.44 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.08 -1.71 0.00 -1.34 9.92 -0.92 -4.87 116.55 117.55 1win n ASP 127 Ca 0.04 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 1win n ASP 127 Cb 0.19 -2.20 0.00 0.00 -0.64 0.00 0.00 41.12 38.47 1win n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1win n TYR 128 N -4.31 0.00 -0.38 1.24 9.36 -1.26 -1.48 117.16 120.33 1win n TYR 128 Ca -0.03 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.16 1win n TYR 128 Cb 0.54 -0.39 0.01 0.00 -0.63 0.00 0.00 39.34 38.86 1win n TYR 128 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1win h LEU 129 N 0.00 -1.59 -0.77 2.98 4.07 -1.95 0.52 115.31 118.57 1win h LEU 129 Ca 0.00 0.31 0.18 0.00 0.08 0.00 0.00 57.88 58.45 1win h LEU 129 Cb 0.00 0.79 -0.12 0.00 1.08 0.00 0.00 40.66 42.41 1win h LEU 129 CO 0.00 -0.28 0.15 -1.28 -1.08 0.00 0.00 178.44 175.95 1win h SER 130 N -0.02 -0.08 -0.38 -0.43 0.87 -1.87 0.36 113.55 112.01 1win h SER 130 Ca 0.30 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1win h SER 130 Cb 0.55 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1win h SER 130 CO -0.96 -0.10 0.25 -1.28 -0.53 0.00 0.00 176.83 174.21 1win h SER 131 N 0.22 0.44 -0.79 6.23 0.87 0.11 -2.13 113.55 118.50 1win h SER 131 Ca 0.44 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 61.14 1win h SER 131 Cb 0.80 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 1win h SER 131 CO -0.58 0.32 0.53 -0.07 -0.53 0.00 0.00 176.83 176.50 1win h LEU 132 N 0.51 0.41 0.00 2.23 3.38 0.12 -3.45 115.31 118.51 1win h LEU 132 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1win h LEU 132 Cb -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1win h LEU 132 CO -0.03 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1win n GLY 133 N -1.52 2.97 3.72 0.83 0.00 -0.80 -5.12 105.19 105.28 1win n GLY 133 Ca 0.15 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1win n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 134 N -0.79 2.22 -0.17 1.61 1.02 -1.20 -4.84 119.74 117.59 1win s LYS 134 Ca 0.00 1.97 -0.00 0.00 0.02 0.00 0.00 55.97 57.96 1win s LYS 134 Cb 0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 1win s LYS 134 CO 0.00 -1.82 -0.15 0.99 -0.92 0.00 0.00 175.35 173.45 1win s THR 135 N -1.64 2.65 -0.20 2.17 2.01 -1.26 -5.10 115.64 114.27 1win s THR 135 Ca 0.80 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1win s THR 135 Cb -0.35 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1win s THR 135 CO 0.43 0.51 -0.17 -1.58 -0.69 0.00 0.00 174.62 173.13 1win s GLN 136 N 0.99 2.92 -0.35 4.92 0.74 -1.26 -5.09 119.66 122.53 1win s GLN 136 Ca -0.02 -0.88 -0.23 0.00 0.05 0.00 0.00 55.36 54.28 1win s GLN 136 Cb -0.15 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.29 1win s GLN 136 CO -0.03 -0.26 0.75 0.95 -0.55 0.00 0.00 175.29 176.15 1win s THR 137 N 1.29 4.79 -0.94 -0.34 -4.23 -1.26 -4.99 115.64 109.95 1win s THR 137 Ca 0.03 0.91 -0.24 0.00 -1.18 0.00 0.00 61.69 61.21 1win s THR 137 Cb -0.14 -4.16 0.02 0.00 1.34 0.00 0.00 72.50 69.55 1win s THR 137 CO -0.11 -0.35 1.60 -0.55 -0.54 0.00 0.00 174.62 174.68 1win s SER 138 N 1.77 6.01 0.00 3.99 0.15 -1.26 -4.83 113.70 119.53 1win s SER 138 Ca 0.30 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1win s SER 138 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1win s SER 138 CO 0.15 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.26 1win n GLY 139 N 6.71 0.55 3.77 9.45 0.00 -1.26 -5.15 105.19 119.26 1win n GLY 139 Ca 0.32 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 2.90 -0.41 1.61 0.04 -1.26 -4.94 135.00 130.94 1win s PRO 140 Ca 0.00 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1win s PRO 140 Cb 0.00 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.80 1win s PRO 140 CO 0.00 -1.18 2.17 0.43 0.04 0.00 0.00 177.00 178.46 1win n SER 141 N -2.22 6.69 0.18 6.66 7.64 -1.26 -4.55 113.62 126.76 1win n SER 141 Ca 0.11 -3.22 -0.08 0.00 1.01 0.00 0.00 58.87 56.68 1win n SER 141 Cb 0.52 -1.08 -0.04 0.00 -1.01 0.00 0.00 64.21 62.60 1win n SER 141 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1win h SER 142 N 1.89 -0.45 -0.01 6.43 0.02 -2.05 -3.57 113.55 115.82 1win h SER 142 Ca 0.37 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1win h SER 142 Cb 0.84 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1win h SER 142 CO 0.93 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.16