#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnf s ARG 2 N 0.00 1.39 -0.13 2.12 3.52 -1.25 -2.01 118.95 122.59 1wnf s ARG 2 Ca 0.00 -1.84 -0.06 0.00 -0.13 0.00 0.00 55.73 53.70 1wnf s ARG 2 Cb 0.00 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1wnf s ARG 2 CO 0.00 -0.99 0.08 0.42 -0.81 0.00 0.00 175.30 174.01 1wnf s ILE 3 N 0.83 5.01 -0.13 4.11 1.01 -0.05 -2.36 121.20 129.61 1wnf s ILE 3 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1wnf s ILE 3 Cb -0.20 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1wnf s ILE 3 CO -0.10 0.57 0.06 -0.22 0.00 0.00 0.00 174.94 175.26 1wnf s LEU 4 N -0.60 3.89 -0.23 2.97 2.96 -0.86 -1.46 118.68 125.35 1wnf s LEU 4 Ca 0.11 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1wnf s LEU 4 Cb -0.12 -1.94 0.06 0.00 0.50 0.00 0.00 46.19 44.69 1wnf s LEU 4 CO 0.02 0.31 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.70 1wnf s ILE 5 N -0.45 1.36 -0.05 6.68 1.01 0.41 -1.05 121.20 129.12 1wnf s ILE 5 Ca 0.10 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 1wnf s ILE 5 Cb -0.12 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1wnf s ILE 5 CO 0.02 -0.15 0.30 -0.76 0.00 0.00 0.00 174.94 174.35 1wnf s LEU 6 N 1.47 4.44 -0.16 2.97 1.43 -0.07 -1.27 118.68 127.47 1wnf s LEU 6 Ca -0.04 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1wnf s LEU 6 Cb -0.19 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1wnf s LEU 6 CO -0.07 0.36 -0.04 -0.83 0.23 0.00 0.00 176.35 176.00 1wnf s GLY 7 N -1.09 1.70 0.00 -3.19 0.00 -0.47 -0.85 107.32 103.42 1wnf s GLY 7 Ca 0.20 -0.86 0.13 0.00 0.00 0.00 0.00 44.72 44.19 1wnf s GLY 7 CO 0.10 -0.01 0.59 1.03 0.00 0.00 0.00 173.10 174.81 1wnf n MET 8 N 3.69 2.59 0.00 2.90 2.81 -0.19 -2.04 117.12 126.88 1wnf n MET 8 Ca -0.17 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 1wnf n MET 8 Cb 0.52 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 1wnf n MET 8 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wnf n GLY 9 N 1.23 0.76 0.00 3.03 0.00 -1.23 -2.13 105.19 106.86 1wnf n GLY 9 Ca 0.03 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1wnf n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnf n GLY 10 N 0.00 -0.47 0.32 -0.02 0.00 -1.02 -4.04 105.19 99.96 1wnf n GLY 10 Ca 0.00 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1wnf n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wnf h THR 11 N 0.00 0.65 -0.13 2.61 2.02 -1.83 0.16 112.91 116.39 1wnf h THR 11 Ca 0.00 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.01 1wnf h THR 11 Cb 0.00 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1wnf h THR 11 CO 0.00 0.11 0.28 -0.29 0.37 0.00 0.00 175.52 175.99 1wnf h ILE 12 N 0.60 0.18 -0.14 3.11 2.10 -1.80 0.33 117.51 121.90 1wnf h ILE 12 Ca 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.45 1wnf h ILE 12 Cb 0.86 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 1wnf h ILE 12 CO -0.42 0.00 -0.05 0.00 -1.08 0.00 0.00 178.15 176.61 1wnf n ALA 13 N -2.11 2.89 -2.06 0.18 0.00 0.55 -3.44 120.51 116.52 1wnf n ALA 13 Ca 0.01 -2.62 -0.21 0.00 0.00 0.00 0.00 53.44 50.62 1wnf n ALA 13 Cb 0.38 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 19.31 1wnf n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wnf s SER 14 N -2.50 5.41 -0.02 0.00 0.01 0.11 0.30 113.70 117.01 1wnf s SER 14 Ca 0.38 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wnf s SER 14 Cb 0.33 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.55 1wnf s SER 14 CO 0.04 -1.04 0.04 0.68 0.41 0.00 0.00 173.24 173.37 1wnf s VAL 15 N -2.71 -0.04 -0.02 3.43 -7.23 -0.97 -4.67 120.40 108.19 1wnf s VAL 15 Ca 0.55 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1wnf s VAL 15 Cb -0.10 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.76 1wnf s VAL 15 CO 0.38 0.06 0.58 0.29 -0.31 0.00 0.00 175.10 176.10 1wnf n LYS 16 N 3.78 0.00 0.00 4.82 5.02 -1.26 -3.59 118.16 126.93 1wnf n LYS 16 Ca -0.22 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1wnf n LYS 16 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1wnf n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wnf n GLY 17 N -1.07 1.17 0.23 0.72 0.00 -1.26 -4.15 105.19 100.83 1wnf n GLY 17 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1wnf n GLY 17 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wnf n GLU 18 N 9.06 0.00 -1.13 1.61 0.00 -1.26 -4.79 120.64 124.12 1wnf n GLU 18 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 1wnf n GLU 18 Cb 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 31.44 30.87 1wnf n GLU 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1wnf n ARG 19 N -2.05 2.29 0.00 3.44 0.63 -1.26 -4.99 116.66 114.72 1wnf n ARG 19 Ca 0.00 -2.56 0.00 0.00 -0.92 0.00 0.00 57.85 54.37 1wnf n ARG 19 Cb 0.22 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1wnf n ARG 19 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wnf n GLY 20 N -0.44 -3.58 3.70 5.14 0.00 -1.26 -4.98 105.19 103.77 1wnf n GLY 20 Ca 0.49 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 1wnf n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wnf s TYR 21 N -0.98 1.87 -0.30 1.61 4.12 -1.26 -4.10 117.35 118.31 1wnf s TYR 21 Ca 0.00 1.69 -0.17 0.00 0.02 0.00 0.00 57.07 58.62 1wnf s TYR 21 Cb 0.00 -3.38 0.19 0.00 -1.52 0.00 0.00 41.96 37.25 1wnf s TYR 21 CO 0.00 -2.66 1.19 -1.83 0.02 0.00 0.00 175.55 172.27 1wnf s GLU 22 N -4.36 0.13 0.62 -0.62 -1.05 -1.24 -4.97 118.70 107.21 1wnf s GLU 22 Ca 0.70 0.25 -0.18 0.00 -0.15 0.00 0.00 54.97 55.58 1wnf s GLU 22 Cb -0.25 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.48 1wnf s GLU 22 CO 0.53 -0.03 1.10 -1.13 0.95 0.00 0.00 175.26 176.67 1wnf n SER 23 N 3.76 1.29 0.00 0.83 3.41 -1.26 -2.30 113.62 119.35 1wnf n SER 23 Ca -0.14 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1wnf n SER 23 Cb 0.56 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1wnf n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wnf n ALA 24 N -1.80 0.00 -1.76 7.33 0.00 0.15 -4.85 120.51 119.58 1wnf n ALA 24 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 1wnf n ALA 24 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 1wnf n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wnf s LEU 25 N -2.17 3.89 0.48 0.00 2.96 -0.21 -5.03 118.68 118.60 1wnf s LEU 25 Ca 0.00 2.53 -0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1wnf s LEU 25 Cb 0.00 -4.30 0.01 0.00 0.50 0.00 0.00 46.19 42.39 1wnf s LEU 25 CO 0.00 -1.31 0.71 -0.94 -1.32 0.00 0.00 176.35 173.49 1wnf s SER 26 N -1.20 5.70 0.41 3.68 1.04 -1.26 -4.85 113.70 117.21 1wnf s SER 26 Ca 0.69 0.26 0.09 0.00 0.48 0.00 0.00 55.95 57.47 1wnf s SER 26 Cb -0.34 -1.41 0.85 0.00 0.10 0.00 0.00 66.02 65.21 1wnf s SER 26 CO 0.40 -0.82 1.99 0.58 0.98 0.00 0.00 173.24 176.37 1wnf h VAL 27 N 0.28 1.13 -0.03 5.02 2.07 -1.96 -0.97 116.25 121.79 1wnf h VAL 27 Ca -0.45 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1wnf h VAL 27 Cb 1.26 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1wnf h VAL 27 CO 0.57 0.16 -0.03 0.28 0.02 0.00 0.00 177.57 178.57 1wnf h SER 28 N 0.35 0.09 -0.75 0.57 0.02 -1.94 -2.79 113.55 109.10 1wnf h SER 28 Ca 0.08 -0.49 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1wnf h SER 28 Cb 0.16 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1wnf h SER 28 CO -0.00 0.56 0.39 0.11 -1.14 0.00 0.00 176.83 176.75 1wnf h LYS 29 N -0.38 1.07 -0.34 3.45 1.57 -1.90 -2.76 116.57 117.29 1wnf h LYS 29 Ca 0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1wnf h LYS 29 Cb 0.53 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1wnf h LYS 29 CO 0.01 0.80 0.22 0.82 -0.57 0.00 0.00 179.45 180.73 1wnf h ILE 30 N 1.07 1.10 0.72 1.86 2.04 -1.18 -0.57 117.51 122.55 1wnf h ILE 30 Ca 0.27 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1wnf h ILE 30 Cb 0.06 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1wnf h ILE 30 CO -0.04 0.09 -0.48 -0.07 0.00 0.00 0.00 178.15 177.65 1wnf h LEU 31 N 0.46 -1.24 -0.93 1.44 3.38 -1.22 -2.84 115.31 114.36 1wnf h LEU 31 Ca 0.13 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.31 1wnf h LEU 31 Cb -0.04 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1wnf h LEU 31 CO -0.03 -0.72 0.55 0.11 0.09 0.00 0.00 178.44 178.45 1wnf h LYS 32 N -1.14 0.80 -1.01 1.13 1.57 -1.47 0.15 116.57 116.60 1wnf h LYS 32 Ca -0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1wnf h LYS 32 Cb 0.92 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1wnf h LYS 32 CO 0.07 0.53 0.00 -0.11 -0.57 0.00 0.00 179.45 179.37 1wnf n LEU 33 N -4.73 1.71 -1.20 2.94 7.94 -0.23 -2.81 117.00 120.62 1wnf n LEU 33 Ca 0.18 -0.85 0.02 0.00 -1.11 0.00 0.00 56.01 54.25 1wnf n LEU 33 Cb 0.41 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1wnf n LEU 33 CO 0.24 0.32 0.14 0.00 -1.11 0.00 0.00 177.39 176.98 1wnf n ALA 34 N 0.34 2.44 -3.67 1.96 0.00 0.04 -4.94 120.51 116.68 1wnf n ALA 34 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 53.44 51.35 1wnf n ALA 34 Cb 0.32 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.19 1wnf n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnf n GLY 35 N 0.32 -1.04 3.15 0.00 0.00 -1.12 -4.90 105.19 101.59 1wnf n GLY 35 Ca 0.01 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.54 1wnf n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wnf s ILE 36 N -3.37 -0.57 -0.45 -0.61 1.10 -1.24 -5.08 121.20 110.98 1wnf s ILE 36 Ca 0.39 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.59 1wnf s ILE 36 Cb -0.15 -0.80 0.33 0.00 0.15 0.00 0.00 42.46 41.99 1wnf s ILE 36 CO 0.86 0.00 1.09 -1.20 -2.11 0.00 0.00 174.94 173.58 1wnf n SER 37 N 5.36 -1.98 -1.03 4.50 7.64 -1.26 -3.79 113.62 123.06 1wnf n SER 37 Ca 0.01 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.31 1wnf n SER 37 Cb 0.54 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 65.36 1wnf n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wnf n ALA 40 N 0.31 -1.00 -2.64 -0.43 0.00 -1.26 -5.08 120.51 110.40 1wnf n ALA 40 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1wnf n ALA 40 Cb 0.70 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 1wnf n ALA 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wnf s LYS 41 N -2.77 3.36 0.54 0.00 2.47 -0.85 -5.01 119.74 117.47 1wnf s LYS 41 Ca 0.00 -0.17 0.06 0.00 -1.56 0.00 0.00 55.97 54.30 1wnf s LYS 41 Cb 0.00 -4.05 0.04 0.00 -1.46 0.00 0.00 37.83 32.36 1wnf s LYS 41 CO 0.00 -1.53 0.42 0.42 0.16 0.00 0.00 175.35 174.83 1wnf s ILE 42 N 4.15 1.75 -0.29 5.43 1.01 -1.26 -0.87 121.20 131.11 1wnf s ILE 42 Ca 0.33 -1.46 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 1wnf s ILE 42 Cb -0.12 -2.20 0.14 0.00 0.01 0.00 0.00 42.46 40.29 1wnf s ILE 42 CO 0.20 0.00 0.91 -0.70 0.00 0.00 0.00 174.94 175.36 1wnf s GLU 43 N -4.29 0.42 0.03 2.79 2.12 -0.54 -4.86 118.70 114.37 1wnf s GLU 43 Ca 0.37 0.81 0.02 0.00 0.36 0.00 0.00 54.97 56.53 1wnf s GLU 43 Cb -0.02 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 1wnf s GLU 43 CO 0.23 -0.10 0.03 0.00 -0.54 0.00 0.00 175.26 174.87 1wnf s ALA 44 N 1.75 3.38 -0.15 6.30 0.00 -1.26 -0.44 121.76 131.33 1wnf s ALA 44 Ca -0.07 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1wnf s ALA 44 Cb -0.05 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1wnf s ALA 44 CO -0.16 0.68 0.38 0.50 0.00 0.00 0.00 175.76 177.15 1wnf s ARG 45 N -1.84 0.40 -0.23 0.00 3.52 -0.40 -4.93 118.95 115.47 1wnf s ARG 45 Ca 0.23 0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 56.34 1wnf s ARG 45 Cb -0.12 0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 1wnf s ARG 45 CO 0.14 -0.11 0.22 -0.51 -0.81 0.00 0.00 175.30 174.23 1wnf s ASP 46 N 0.80 6.19 -0.09 -2.12 1.11 -1.26 -1.37 116.67 119.92 1wnf s ASP 46 Ca -0.05 0.20 0.08 0.00 0.18 0.00 0.00 52.55 52.96 1wnf s ASP 46 Cb -0.06 -2.14 -0.24 0.00 1.07 0.00 0.00 42.92 41.56 1wnf s ASP 46 CO -0.06 0.02 0.46 0.18 1.18 0.00 0.00 175.17 176.96 1wnf n LEU 47 N 4.38 1.34 -3.92 1.23 4.77 -0.87 -4.91 117.00 119.02 1wnf n LEU 47 Ca -0.13 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1wnf n LEU 47 Cb 0.52 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1wnf n LEU 47 CO 0.36 0.55 0.90 0.00 -1.33 0.00 0.00 177.39 177.87 1wnf s MET 48 N -2.57 1.06 -0.37 3.23 0.23 -1.07 -5.06 119.30 114.74 1wnf s MET 48 Ca -0.12 -0.68 0.12 0.00 -1.03 0.00 0.00 55.69 53.98 1wnf s MET 48 Cb 0.07 0.29 0.38 0.00 -1.53 0.00 0.00 34.83 34.04 1wnf s MET 48 CO 0.80 -0.50 0.89 -1.71 -2.03 0.00 0.00 175.02 172.47 1wnf n ASN 49 N -1.21 0.31 -4.76 -1.18 5.15 -1.25 -3.46 115.26 108.85 1wnf n ASN 49 Ca -0.01 -3.00 -0.40 0.00 -0.60 0.00 0.00 54.58 50.57 1wnf n ASN 49 Cb 0.59 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 1wnf n ASN 49 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wnf s VAL 50 N -2.01 3.16 0.00 3.44 1.01 -0.91 -4.81 120.40 120.28 1wnf s VAL 50 Ca 0.33 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1wnf s VAL 50 Cb 0.37 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1wnf s VAL 50 CO -0.05 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.77 1wnf n ASP 51 N 0.88 -0.54 0.14 3.32 10.43 -1.26 -2.42 116.55 127.10 1wnf n ASP 51 Ca 0.00 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.42 1wnf n ASP 51 Cb 0.44 0.00 0.54 0.00 1.84 0.00 0.00 41.12 43.94 1wnf n ASP 51 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 1wnf h SER 52 N -0.56 0.21 0.00 -2.24 0.87 -1.93 -3.37 113.55 106.53 1wnf h SER 52 Ca 0.00 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1wnf h SER 52 Cb 0.00 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 61.83 1wnf h SER 52 CO 0.00 0.16 -0.42 0.35 -0.53 0.00 0.00 176.83 176.39 1wnf n THR 53 N -4.50 0.00 1.29 2.23 -2.24 -1.26 -4.50 114.28 105.30 1wnf n THR 53 Ca -0.00 -0.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1wnf n THR 53 Cb 0.08 0.44 0.40 0.00 -2.10 0.00 0.00 70.33 69.15 1wnf n THR 53 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wnf n LEU 54 N 0.08 1.58 -4.75 3.22 4.32 -1.26 -4.94 117.00 115.26 1wnf n LEU 54 Ca -0.02 -0.65 -0.38 0.00 -0.02 0.00 0.00 56.01 54.95 1wnf n LEU 54 Cb 0.72 -0.09 0.04 0.00 -1.62 0.00 0.00 43.42 42.47 1wnf n LEU 54 CO -0.02 0.32 0.96 -0.63 -1.22 0.00 0.00 177.39 176.80 1wnf s ILE 55 N -1.82 2.18 0.05 -0.08 -1.09 -1.26 -5.00 121.20 114.17 1wnf s ILE 55 Ca 0.33 0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1wnf s ILE 55 Cb 0.18 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1wnf s ILE 55 CO 0.27 -0.01 0.04 0.00 -1.23 0.00 0.00 174.94 174.01 1wnf s GLN 56 N -2.96 0.62 0.41 2.79 -2.07 -1.26 -5.05 119.66 112.14 1wnf s GLN 56 Ca 0.72 -1.01 0.27 0.00 -1.82 0.00 0.00 55.36 53.52 1wnf s GLN 56 Cb -0.39 0.23 1.38 0.00 -1.09 0.00 0.00 33.01 33.14 1wnf s GLN 56 CO 0.45 -0.14 1.61 -1.35 -1.32 0.00 0.00 175.29 174.54 1wnf h PRO 57 N 3.32 0.08 -0.60 9.60 0.11 -1.99 0.18 132.00 142.71 1wnf h PRO 57 Ca -0.33 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.83 1wnf h PRO 57 Cb 1.17 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1wnf h PRO 57 CO 0.58 0.05 0.31 0.77 -0.21 0.00 0.00 178.00 179.51 1wnf h SER 58 N 0.08 0.44 0.00 -2.05 0.02 -2.01 -1.29 113.55 108.74 1wnf h SER 58 Ca 0.83 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.81 1wnf h SER 58 Cb 2.44 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 64.93 1wnf h SER 58 CO -0.53 0.29 -0.00 0.44 -1.14 0.00 0.00 176.83 175.89 1wnf h ASP 59 N 0.58 0.00 0.38 3.07 3.32 -1.06 -1.23 116.42 121.49 1wnf h ASP 59 Ca 0.27 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 1wnf h ASP 59 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1wnf h ASP 59 CO -0.19 0.00 -0.40 -0.50 -1.72 0.00 0.00 179.24 176.43 1wnf h TRP 60 N 0.00 0.03 -0.05 4.55 6.55 -1.24 -1.09 115.95 124.70 1wnf h TRP 60 Ca -0.00 -0.01 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 1wnf h TRP 60 Cb 0.00 -0.01 0.01 0.00 -0.86 0.00 0.00 29.16 28.31 1wnf h TRP 60 CO 0.00 0.42 -0.54 1.49 -1.05 0.00 0.00 178.44 178.76 1wnf h GLU 61 N 0.02 0.45 -0.17 0.49 4.81 -1.14 -1.51 114.58 117.53 1wnf h GLU 61 Ca -0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1wnf h GLU 61 Cb 0.72 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1wnf h GLU 61 CO 0.05 1.07 0.11 0.00 -0.73 0.00 0.00 179.01 179.51 1wnf h ARG 62 N -0.01 0.23 -0.80 1.92 3.08 -1.29 -1.10 114.38 116.42 1wnf h ARG 62 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1wnf h ARG 62 Cb 1.22 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1wnf h ARG 62 CO 0.11 0.17 0.43 1.25 -1.07 0.00 0.00 179.97 180.86 1wnf h LEU 63 N 0.23 0.99 -0.33 3.04 5.85 -1.26 -0.51 115.31 123.33 1wnf h LEU 63 Ca 0.06 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wnf h LEU 63 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1wnf h LEU 63 CO -0.01 0.80 0.11 0.00 -0.34 0.00 0.00 178.44 179.00 1wnf h ALA 64 N 1.36 0.43 -0.10 1.25 0.00 -0.78 -1.86 119.26 119.55 1wnf h ALA 64 Ca 0.28 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1wnf h ALA 64 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wnf h ALA 64 CO -0.04 0.06 -0.73 0.87 0.00 0.00 0.00 179.25 179.40 1wnf h LYS 65 N 0.37 0.50 0.00 0.00 1.57 -1.06 -1.22 116.57 116.74 1wnf h LYS 65 Ca 0.11 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1wnf h LYS 65 Cb 0.24 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1wnf h LYS 65 CO -0.00 1.04 -0.12 1.49 -0.57 0.00 0.00 179.45 181.29 1wnf h GLU 66 N 0.34 0.00 0.04 3.15 4.57 -1.02 -2.38 114.58 119.28 1wnf h GLU 66 Ca -0.03 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.83 1wnf h GLU 66 Cb 1.32 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.87 1wnf h GLU 66 CO 0.13 0.12 -1.80 -0.89 -1.18 0.00 0.00 179.01 175.39 1wnf n ILE 67 N -3.62 1.67 -0.24 2.32 5.41 -0.71 -4.23 119.36 119.97 1wnf n ILE 67 Ca -0.02 -0.75 -0.08 0.00 1.00 0.00 0.00 62.75 62.90 1wnf n ILE 67 Cb 0.24 -1.27 0.04 0.00 -0.71 0.00 0.00 39.64 37.94 1wnf n ILE 67 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1wnf h GLU 68 N 0.02 1.06 -0.97 0.38 4.81 -0.79 -1.11 114.58 117.99 1wnf h GLU 68 Ca -0.33 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.53 1wnf h GLU 68 Cb 2.02 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 31.19 1wnf h GLU 68 CO 0.08 0.95 0.15 0.36 -0.73 0.00 0.00 179.01 179.83 1wnf n LYS 69 N -4.28 1.53 0.00 1.92 -0.00 -0.94 -3.31 118.16 113.09 1wnf n LYS 69 Ca 0.04 -0.88 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1wnf n LYS 69 Cb 0.25 -1.43 0.00 0.00 -0.00 0.00 0.00 35.03 33.86 1wnf n LYS 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wnf n GLU 70 N 0.06 0.00 0.22 -1.58 -0.58 -0.99 -4.89 120.64 112.88 1wnf n GLU 70 Ca 0.15 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 57.06 1wnf n GLU 70 Cb 0.77 -0.04 0.85 0.00 -0.57 0.00 0.00 31.44 32.45 1wnf n GLU 70 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1wnf h VAL 71 N 0.13 0.44 0.00 2.62 3.04 -1.20 -2.50 116.25 118.78 1wnf h VAL 71 Ca 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.52 1wnf h VAL 71 Cb 0.07 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 30.17 1wnf h VAL 71 CO 0.00 0.00 -2.02 0.79 -1.01 0.00 0.00 177.57 175.33 1wnf n TRP 72 N -3.75 0.20 1.72 3.17 7.02 -1.26 -4.33 117.44 120.22 1wnf n TRP 72 Ca 0.01 0.07 0.10 0.00 -1.02 0.00 0.00 57.50 56.65 1wnf n TRP 72 Cb 0.29 -0.81 0.48 0.00 -2.42 0.00 0.00 31.31 28.85 1wnf n TRP 72 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1wnf n GLU 73 N -2.57 1.26 -4.21 -0.99 1.02 -0.95 -4.89 120.64 109.32 1wnf n GLU 73 Ca -0.16 -0.39 -0.14 0.00 -0.02 0.00 0.00 57.16 56.45 1wnf n GLU 73 Cb 0.84 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.85 1wnf n GLU 73 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1wnf s TYR 74 N -1.93 1.28 -0.51 -0.32 2.02 -1.20 -5.01 117.35 111.69 1wnf s TYR 74 Ca 0.29 -1.42 0.13 0.00 -0.37 0.00 0.00 57.07 55.69 1wnf s TYR 74 Cb 0.14 -0.55 -0.15 0.00 -0.40 0.00 0.00 41.96 41.00 1wnf s TYR 74 CO 0.23 -0.74 0.50 -0.25 -1.57 0.00 0.00 175.55 173.72 1wnf n ASP 75 N -0.67 0.82 -3.57 2.29 8.00 -1.00 -4.95 116.55 117.47 1wnf n ASP 75 Ca 0.03 -0.67 -0.08 0.00 0.71 0.00 0.00 54.79 54.78 1wnf n ASP 75 Cb 0.65 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.80 1wnf n ASP 75 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1wnf s GLY 76 N -2.42 -0.26 -0.01 0.44 0.00 -1.26 -3.78 107.32 100.03 1wnf s GLY 76 Ca 0.03 1.86 0.03 0.00 0.00 0.00 0.00 44.72 46.64 1wnf s GLY 76 CO 0.53 0.82 -0.10 -0.42 0.00 0.00 0.00 173.10 173.93 1wnf s ILE 77 N -1.71 0.78 -0.06 0.90 1.01 0.39 -2.02 121.20 120.49 1wnf s ILE 77 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.32 1wnf s ILE 77 Cb -0.01 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 1wnf s ILE 77 CO -0.03 0.23 -0.20 -0.69 0.00 0.00 0.00 174.94 174.25 1wnf s VAL 78 N -0.07 1.71 -0.26 2.92 1.01 -0.21 -0.06 120.40 125.44 1wnf s VAL 78 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1wnf s VAL 78 Cb -0.06 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.92 1wnf s VAL 78 CO -0.00 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.87 1wnf s ILE 79 N 0.10 2.06 0.11 2.22 1.01 0.18 -0.90 121.20 125.98 1wnf s ILE 79 Ca -0.08 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.63 1wnf s ILE 79 Cb -0.14 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 1wnf s ILE 79 CO 0.04 -0.11 1.20 0.42 0.00 0.00 0.00 174.94 176.49 1wnf s THR 80 N 1.14 3.85 0.14 2.92 -4.23 -0.03 -1.38 115.64 118.05 1wnf s THR 80 Ca -0.06 1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 61.76 1wnf s THR 80 Cb -0.20 -3.90 -0.00 0.00 1.34 0.00 0.00 72.50 69.74 1wnf s THR 80 CO -0.06 0.15 0.26 -2.28 -0.54 0.00 0.00 174.62 172.16 1wnf s HIS 81 N 0.66 0.29 0.38 3.99 5.04 0.75 -1.02 115.29 125.38 1wnf s HIS 81 Ca 0.57 -0.67 -0.24 0.00 -1.54 0.00 0.00 55.06 53.17 1wnf s HIS 81 Cb -0.31 -0.04 -0.10 0.00 0.04 0.00 0.00 32.58 32.18 1wnf s HIS 81 CO 0.32 -0.67 1.00 0.20 -2.34 0.00 0.00 174.74 173.25 1wnf s GLY 82 N -2.93 2.70 0.28 1.59 0.00 -1.26 -4.16 107.32 103.55 1wnf s GLY 82 Ca 0.13 0.59 0.12 0.00 0.00 0.00 0.00 44.72 45.55 1wnf s GLY 82 CO -0.04 1.00 1.62 -0.91 0.00 0.00 0.00 173.10 174.77 1wnf h THR 83 N 2.28 1.36 -0.95 0.90 1.35 -1.89 -3.11 112.91 112.86 1wnf h THR 83 Ca -0.48 -2.08 0.20 0.00 -0.55 0.00 0.00 66.41 63.50 1wnf h THR 83 Cb 1.20 2.14 -0.11 0.00 -1.73 0.00 0.00 68.15 69.65 1wnf h THR 83 CO 0.63 0.58 0.53 0.44 -0.25 0.00 0.00 175.52 177.45 1wnf h ASP 84 N 0.00 0.62 0.00 5.36 3.45 -1.93 -3.02 116.42 120.89 1wnf h ASP 84 Ca -0.01 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1wnf h ASP 84 Cb 1.09 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.85 1wnf h ASP 84 CO 0.08 0.17 -0.30 0.35 -1.57 0.00 0.00 179.24 177.97 1wnf n THR 85 N -4.87 1.19 -0.32 0.35 -2.24 -1.25 -4.81 114.28 102.34 1wnf n THR 85 Ca 0.22 -1.59 -0.02 0.00 -2.27 0.00 0.00 64.05 60.39 1wnf n THR 85 Cb 0.59 0.09 0.10 0.00 -2.10 0.00 0.00 70.33 69.02 1wnf n THR 85 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1wnf h MET 86 N 0.21 1.08 -0.26 -0.78 4.05 -1.45 -1.46 114.93 116.32 1wnf h MET 86 Ca -0.02 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 1wnf h MET 86 Cb 1.20 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 1wnf h MET 86 CO 0.01 0.71 -0.04 0.00 0.23 0.00 0.00 176.91 177.83 1wnf h ALA 87 N 1.35 1.47 -0.05 0.39 0.00 -1.87 0.17 119.26 120.71 1wnf h ALA 87 Ca 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1wnf h ALA 87 Cb -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1wnf h ALA 87 CO -0.10 0.38 -0.01 1.88 0.00 0.00 0.00 179.25 181.40 1wnf h TYR 88 N 0.38 0.10 -0.30 0.00 0.05 -1.63 -0.41 116.97 115.17 1wnf h TYR 88 Ca 0.08 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1wnf h TYR 88 Cb 0.31 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1wnf h TYR 88 CO 0.01 0.41 0.12 0.77 -1.05 0.00 0.00 178.16 178.42 1wnf h SER 89 N -0.24 0.41 -0.67 3.88 0.02 -1.11 -0.82 113.55 115.03 1wnf h SER 89 Ca 0.01 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1wnf h SER 89 Cb 0.38 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1wnf h SER 89 CO 0.00 0.46 0.42 0.00 -1.14 0.00 0.00 176.83 176.57 1wnf h ALA 90 N 0.96 0.86 -0.10 3.77 0.00 -0.97 -0.90 119.26 122.89 1wnf h ALA 90 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wnf h ALA 90 Cb 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wnf h ALA 90 CO -0.01 0.19 0.02 0.77 0.00 0.00 0.00 179.25 180.22 1wnf h SER 91 N 0.82 0.15 -0.77 0.00 0.02 -0.84 -2.32 113.55 110.62 1wnf h SER 91 Ca 0.26 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1wnf h SER 91 Cb 0.00 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1wnf h SER 91 CO -0.10 0.35 0.41 -0.03 -1.14 0.00 0.00 176.83 176.32 1wnf h MET 92 N -0.06 1.09 -0.62 3.45 -1.53 -0.89 -1.94 114.93 114.42 1wnf h MET 92 Ca 0.03 -0.13 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 1wnf h MET 92 Cb 0.26 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 31.07 1wnf h MET 92 CO 0.00 0.81 0.27 -0.07 0.14 0.00 0.00 176.91 178.06 1wnf h LEU 93 N 1.09 0.82 -1.26 3.39 3.38 -1.07 -1.32 115.31 120.35 1wnf h LEU 93 Ca 0.27 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1wnf h LEU 93 Cb 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1wnf h LEU 93 CO -0.04 0.72 0.51 0.28 0.09 0.00 0.00 178.44 180.00 1wnf h SER 94 N 0.89 0.85 0.26 -0.43 0.02 -0.77 0.25 113.55 114.60 1wnf h SER 94 Ca 0.21 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.82 1wnf h SER 94 Cb 0.15 -0.20 0.04 0.00 0.14 0.00 0.00 62.40 62.52 1wnf h SER 94 CO -0.02 0.59 -1.47 -0.26 -1.14 0.00 0.00 176.83 174.53 1wnf h PHE 95 N 0.99 0.98 -0.25 3.45 -1.00 -1.28 -3.37 116.94 116.46 1wnf h PHE 95 Ca 0.30 -0.72 -0.18 0.00 2.81 0.00 0.00 57.97 60.18 1wnf h PHE 95 Cb -0.01 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1wnf h PHE 95 CO -0.00 1.56 -0.54 0.52 -1.61 0.00 0.00 178.31 178.24 1wnf h MET 96 N 0.13 0.81 -3.39 1.51 2.86 -0.97 -3.38 114.93 112.51 1wnf h MET 96 Ca -0.26 -0.54 -0.73 0.00 -2.06 0.00 0.00 59.70 56.12 1wnf h MET 96 Cb 2.16 0.07 -0.33 0.00 0.06 0.00 0.00 31.60 33.56 1wnf h MET 96 CO 0.28 1.17 0.05 -0.51 1.06 0.00 0.00 176.91 178.95 1wnf s LEU 97 N -8.68 5.77 0.13 1.22 1.43 0.84 -0.13 118.68 119.26 1wnf s LEU 97 Ca -0.11 -3.67 -0.30 0.00 -1.03 0.00 0.00 54.13 49.02 1wnf s LEU 97 Cb 0.09 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1wnf s LEU 97 CO 0.88 -0.22 0.98 -0.13 0.23 0.00 0.00 176.35 178.09 1wnf s ARG 98 N -1.30 4.69 -0.66 1.70 0.52 -1.00 -3.96 118.95 118.95 1wnf s ARG 98 Ca 0.28 1.49 -0.02 0.00 -0.52 0.00 0.00 55.73 56.96 1wnf s ARG 98 Cb -0.08 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1wnf s ARG 98 CO -0.11 0.21 0.56 0.09 0.02 0.00 0.00 175.30 176.07 1wnf n ASN 99 N 2.65 -3.09 -4.68 0.23 3.02 -1.26 -2.74 115.26 109.39 1wnf n ASN 99 Ca 0.02 -0.30 -0.45 0.00 -0.03 0.00 0.00 54.58 53.82 1wnf n ASN 99 Cb 0.49 -2.87 -0.04 0.00 -0.61 0.00 0.00 39.78 36.74 1wnf n ASN 99 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wnf n PRO 100 N -2.72 2.32 0.15 3.52 -0.04 -1.25 -4.45 135.00 132.52 1wnf n PRO 100 Ca -0.08 0.84 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 1wnf n PRO 100 Cb 0.56 -2.63 0.38 0.00 -0.04 0.00 0.00 33.50 31.76 1wnf n PRO 100 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1wnf h PRO 101 N 6.48 0.00 -5.21 0.54 0.13 -1.92 -3.37 132.00 128.65 1wnf h PRO 101 Ca -0.45 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.22 1wnf h PRO 101 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1wnf h PRO 101 CO 0.91 0.00 -0.61 0.96 -0.23 0.00 0.00 178.00 179.03 1wnf s ILE 102 N -3.19 1.17 -0.24 -3.56 -4.36 -1.26 -4.79 121.20 104.97 1wnf s ILE 102 Ca 0.08 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.18 1wnf s ILE 102 Cb 0.10 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 41.05 1wnf s ILE 102 CO 0.59 -0.02 1.09 -2.84 0.24 0.00 0.00 174.94 174.00 1wnf s PRO 103 N -3.89 4.21 -0.26 0.37 0.02 -1.25 -3.04 135.00 131.16 1wnf s PRO 103 Ca 0.36 1.36 -0.04 0.00 0.02 0.00 0.00 61.00 62.70 1wnf s PRO 103 Cb 0.08 -3.69 0.01 0.00 0.02 0.00 0.00 34.50 30.93 1wnf s PRO 103 CO 0.15 -0.71 -0.01 0.42 -0.33 0.00 0.00 177.00 176.52 1wnf s ILE 104 N 3.38 3.30 -0.05 2.83 1.01 -0.37 -0.46 121.20 130.83 1wnf s ILE 104 Ca 0.47 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 60.34 1wnf s ILE 104 Cb -0.16 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1wnf s ILE 104 CO 0.10 0.20 -0.22 -0.69 0.00 0.00 0.00 174.94 174.33 1wnf s VAL 105 N 1.40 1.81 -0.07 2.92 1.01 0.92 -1.01 120.40 127.38 1wnf s VAL 105 Ca 0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wnf s VAL 105 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1wnf s VAL 105 CO -0.02 0.51 -0.02 -0.76 0.00 0.00 0.00 175.10 174.81 1wnf s LEU 106 N -0.09 3.46 0.26 3.92 1.02 -0.34 0.48 118.68 127.39 1wnf s LEU 106 Ca -0.04 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 1wnf s LEU 106 Cb -0.13 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1wnf s LEU 106 CO 0.03 0.36 0.30 -0.89 0.02 0.00 0.00 176.35 176.18 1wnf s THR 107 N -0.89 0.00 0.00 5.49 2.01 -0.48 -1.67 115.64 120.10 1wnf s THR 107 Ca 0.14 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.36 1wnf s THR 107 Cb -0.11 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1wnf s THR 107 CO 0.03 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1wnf n GLY 108 N -0.41 2.16 3.58 4.40 0.00 -1.26 -0.18 105.19 113.48 1wnf n GLY 108 Ca 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1wnf n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnf s SER 109 N 2.00 -0.22 0.34 1.61 1.04 -1.26 -4.65 113.70 112.56 1wnf s SER 109 Ca 0.00 0.11 0.23 0.00 0.48 0.00 0.00 55.95 56.77 1wnf s SER 109 Cb 0.00 0.21 0.27 0.00 0.10 0.00 0.00 66.02 66.60 1wnf s SER 109 CO 0.00 -0.30 1.45 0.24 0.98 0.00 0.00 173.24 175.61 1wnf h MET 110 N 2.15 0.00 -5.43 4.02 2.86 -1.93 -3.38 114.93 113.23 1wnf h MET 110 Ca -0.14 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.02 1wnf h MET 110 Cb 1.18 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.57 1wnf h MET 110 CO 0.26 0.00 -0.81 -0.51 1.06 0.00 0.00 176.91 176.91 1wnf s LEU 111 N -5.77 2.09 0.44 1.22 1.43 -1.26 -5.01 118.68 111.82 1wnf s LEU 111 Ca 0.05 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1wnf s LEU 111 Cb 0.07 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.48 1wnf s LEU 111 CO 0.70 0.13 1.22 -2.16 0.23 0.00 0.00 176.35 176.48 1wnf s PRO 112 N -0.68 3.82 0.52 1.29 0.04 -1.25 -4.47 135.00 134.27 1wnf s PRO 112 Ca 0.05 1.94 0.27 0.00 0.04 0.00 0.00 61.00 63.29 1wnf s PRO 112 Cb -0.07 -2.55 1.39 0.00 0.04 0.00 0.00 34.50 33.31 1wnf s PRO 112 CO 0.00 -0.54 1.94 -0.84 0.04 0.00 0.00 177.00 177.60 1wnf h ILE 113 N 2.10 0.67 0.00 0.56 3.07 -1.80 -1.52 117.51 120.58 1wnf h ILE 113 Ca -0.49 -0.02 -0.07 0.00 1.55 0.00 0.00 64.86 65.83 1wnf h ILE 113 Cb 1.25 0.61 -0.03 0.00 -0.27 0.00 0.00 36.82 38.39 1wnf h ILE 113 CO 0.61 0.01 -0.09 1.07 -1.05 0.00 0.00 178.15 178.70 1wnf n THR 114 N -4.35 1.94 -3.76 0.16 5.66 -1.26 -4.73 114.28 107.95 1wnf n THR 114 Ca 0.14 -0.76 -0.13 0.00 -3.05 0.00 0.00 64.05 60.25 1wnf n THR 114 Cb 0.74 -1.63 -0.08 0.00 -1.55 0.00 0.00 70.33 67.81 1wnf n THR 114 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1wnf s GLU 115 N 0.90 0.73 0.24 1.09 2.56 -0.57 -4.95 118.70 118.70 1wnf s GLU 115 Ca 0.25 -0.33 -0.30 0.00 0.00 0.00 0.00 54.97 54.59 1wnf s GLU 115 Cb 0.12 0.32 -0.09 0.00 2.00 0.00 0.00 34.13 36.48 1wnf s GLU 115 CO 0.00 -0.22 1.12 0.15 -0.56 0.00 0.00 175.26 175.75 1wnf s LYS 116 N -1.88 4.60 -1.13 4.30 -0.14 -1.26 -3.56 119.74 120.66 1wnf s LYS 116 Ca -0.10 1.80 -0.02 0.00 -1.36 0.00 0.00 55.97 56.29 1wnf s LYS 116 Cb -0.03 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1wnf s LYS 116 CO 0.01 0.13 0.96 0.09 -0.76 0.00 0.00 175.35 175.77 1wnf n ASN 117 N 1.68 -3.13 -4.83 2.83 3.02 -1.26 -4.98 115.26 108.59 1wnf n ASN 117 Ca 0.01 -0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 53.66 1wnf n ASN 117 Cb 0.45 -4.69 -0.06 0.00 -0.61 0.00 0.00 39.78 34.87 1wnf n ASN 117 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wnf s SER 118 N -3.98 6.93 0.00 6.41 0.15 -1.23 -4.97 113.70 117.02 1wnf s SER 118 Ca 0.15 1.29 0.27 0.00 0.70 0.00 0.00 55.95 58.36 1wnf s SER 118 Cb -0.07 -2.37 0.85 0.00 -1.71 0.00 0.00 66.02 62.73 1wnf s SER 118 CO 0.66 0.01 1.65 -0.90 1.20 0.00 0.00 173.24 175.86 1wnf n ASP 119 N 0.52 0.30 -0.13 5.45 5.75 -1.26 -4.23 116.55 122.95 1wnf n ASP 119 Ca -0.02 0.04 -0.04 0.00 -0.01 0.00 0.00 54.79 54.76 1wnf n ASP 119 Cb 0.52 -0.08 0.03 0.00 -1.03 0.00 0.00 41.12 40.55 1wnf n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wnf h ALA 120 N 3.04 0.32 0.05 2.12 0.00 -1.82 0.15 119.26 123.12 1wnf h ALA 120 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1wnf h ALA 120 Cb 0.49 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1wnf h ALA 120 CO 0.00 -0.43 -0.14 -1.35 0.00 0.00 0.00 179.25 177.33 1wnf h PRO 121 N 0.03 -0.25 -0.48 0.00 0.11 -1.91 0.50 132.00 130.00 1wnf h PRO 121 Ca 0.21 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.40 1wnf h PRO 121 Cb 0.32 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 1wnf h PRO 121 CO -0.42 -0.17 0.18 0.35 -0.21 0.00 0.00 178.00 177.74 1wnf h PHE 122 N -0.26 0.33 -0.67 0.65 3.57 -1.72 0.13 116.94 118.96 1wnf h PHE 122 Ca 0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1wnf h PHE 122 Cb 0.30 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1wnf h PHE 122 CO -0.17 0.12 0.14 -0.91 -2.23 0.00 0.00 178.31 175.25 1wnf h ASN 123 N 0.37 1.04 -0.41 0.41 -0.26 -0.67 -0.89 115.58 115.17 1wnf h ASN 123 Ca 0.23 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1wnf h ASN 123 Cb 0.22 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1wnf h ASN 123 CO -0.22 1.01 -0.09 -0.07 -1.06 0.00 0.00 177.43 177.01 1wnf h LEU 124 N 1.03 0.78 -1.14 1.61 3.38 -0.36 -1.62 115.31 118.99 1wnf h LEU 124 Ca 0.21 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1wnf h LEU 124 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1wnf h LEU 124 CO 0.01 0.96 -0.08 0.03 0.09 0.00 0.00 178.44 179.45 1wnf h ARG 125 N 0.60 0.51 -0.11 1.13 3.08 -0.54 -0.79 114.38 118.25 1wnf h ARG 125 Ca 0.10 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1wnf h ARG 125 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1wnf h ARG 125 CO 0.04 0.60 -0.57 1.15 -1.07 0.00 0.00 179.97 180.11 1wnf h THR 126 N 0.48 1.36 -0.11 2.04 2.02 -0.95 0.48 112.91 118.22 1wnf h THR 126 Ca 0.09 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.35 1wnf h THR 126 Cb 0.43 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1wnf h THR 126 CO 0.02 0.57 -0.10 0.00 0.37 0.00 0.00 175.52 176.38 1wnf h ALA 127 N 1.12 0.16 -0.55 6.16 0.00 -0.78 -1.53 119.26 123.83 1wnf h ALA 127 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1wnf h ALA 127 Cb 1.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wnf h ALA 127 CO 0.10 -0.00 0.03 -0.07 0.00 0.00 0.00 179.25 179.30 1wnf h LEU 128 N -0.14 0.93 -0.24 0.00 3.38 -1.14 -0.27 115.31 117.83 1wnf h LEU 128 Ca 0.02 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1wnf h LEU 128 Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wnf h LEU 128 CO 0.03 0.99 0.08 -0.08 0.09 0.00 0.00 178.44 179.55 1wnf h GLU 129 N 0.83 0.19 -0.58 1.13 4.81 -0.89 -2.86 114.58 117.21 1wnf h GLU 129 Ca 0.16 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1wnf h GLU 129 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1wnf h GLU 129 CO 0.02 0.12 -0.00 0.35 -0.73 0.00 0.00 179.01 178.77 1wnf h PHE 130 N 0.19 1.13 0.00 0.92 3.04 -1.09 -2.79 116.94 118.34 1wnf h PHE 130 Ca 0.10 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1wnf h PHE 130 Cb 0.07 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1wnf h PHE 130 CO -0.12 1.01 0.00 1.55 -2.02 0.00 0.00 178.31 178.72 1wnf n VAL 131 N -4.21 1.11 -0.21 1.41 3.14 -0.13 -1.28 118.33 118.16 1wnf n VAL 131 Ca 0.02 0.28 0.11 0.00 -2.96 0.00 0.00 64.34 61.79 1wnf n VAL 131 Cb 0.34 -1.16 0.28 0.00 -1.06 0.00 0.00 33.84 32.24 1wnf n VAL 131 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1wnf n LYS 132 N -1.36 2.67 -0.33 1.45 5.02 -1.05 -4.22 118.16 120.35 1wnf n LYS 132 Ca 0.03 -2.51 0.11 0.00 -2.02 0.00 0.00 58.31 53.91 1wnf n LYS 132 Cb 0.06 -1.53 0.29 0.00 -0.02 0.00 0.00 35.03 33.84 1wnf n LYS 132 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wnf n LEU 133 N 1.50 3.80 0.00 -0.35 4.32 -0.40 -4.97 117.00 120.90 1wnf n LEU 133 Ca 0.22 -1.93 0.00 0.00 -0.02 0.00 0.00 56.01 54.28 1wnf n LEU 133 Cb 0.60 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1wnf n LEU 133 CO 0.16 0.93 0.00 0.61 -1.22 0.00 0.00 177.39 177.87 1wnf n GLY 134 N 1.53 0.05 3.56 -0.72 0.00 -1.26 -4.93 105.19 103.42 1wnf n GLY 134 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1wnf n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 135 N -1.13 3.93 0.59 -0.61 1.01 -1.26 -4.86 121.20 118.87 1wnf s ILE 135 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 1wnf s ILE 135 Cb 0.00 -4.79 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 1wnf s ILE 135 CO 0.00 -1.53 1.07 0.00 0.00 0.00 0.00 174.94 174.48 1wnf s ARG 136 N 5.18 3.30 0.00 2.79 1.70 -1.26 -4.32 118.95 126.34 1wnf s ARG 136 Ca 0.39 1.29 0.00 0.00 -0.47 0.00 0.00 55.73 56.94 1wnf s ARG 136 Cb -0.08 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 1wnf s ARG 136 CO 0.21 -0.84 0.00 0.41 -1.08 0.00 0.00 175.30 174.00 1wnf n GLY 137 N -0.72 0.94 3.14 3.88 0.00 -1.17 -4.91 105.19 106.35 1wnf n GLY 137 Ca 0.09 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1wnf n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 138 N -1.50 2.58 0.45 -0.61 1.01 -1.26 -1.23 121.20 120.65 1wnf s ILE 138 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 60.65 59.32 1wnf s ILE 138 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1wnf s ILE 138 CO 0.00 0.04 0.05 -0.31 0.00 0.00 0.00 174.94 174.73 1wnf s TYR 139 N 1.22 1.89 -0.06 3.97 1.51 -0.18 -0.72 117.35 124.97 1wnf s TYR 139 Ca -0.05 -1.06 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 1wnf s TYR 139 Cb -0.19 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1wnf s TYR 139 CO -0.04 0.03 -0.08 0.42 -1.11 0.00 0.00 175.55 174.77 1wnf s ILE 140 N -3.02 0.81 -0.08 2.71 1.01 -0.45 -1.20 121.20 120.98 1wnf s ILE 140 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1wnf s ILE 140 Cb 0.03 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1wnf s ILE 140 CO 0.09 0.29 -0.00 0.00 0.00 0.00 0.00 174.94 175.32 1wnf s ALA 141 N 0.96 3.26 -0.29 9.38 0.00 -0.67 -0.75 121.76 133.65 1wnf s ALA 141 Ca -0.10 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1wnf s ALA 141 Cb -0.15 -1.46 0.18 0.00 0.00 0.00 0.00 23.12 21.69 1wnf s ALA 141 CO 0.00 0.59 1.15 0.12 0.00 0.00 0.00 175.76 177.62 1wnf s PHE 142 N -0.88 -0.30 -1.54 0.00 2.19 -0.02 -4.53 117.98 112.90 1wnf s PHE 142 Ca 0.13 0.62 -0.10 0.00 0.33 0.00 0.00 56.93 57.91 1wnf s PHE 142 Cb -0.11 0.23 0.08 0.00 -1.31 0.00 0.00 43.02 41.91 1wnf s PHE 142 CO 0.02 -0.15 0.73 -1.71 1.83 0.00 0.00 175.22 175.95 1wnf n ASN 143 N 3.11 -2.69 -0.06 6.13 4.05 -1.26 -1.61 115.26 122.94 1wnf n ASN 143 Ca -0.17 -0.93 -0.01 0.00 0.45 0.00 0.00 54.58 53.93 1wnf n ASN 143 Cb 0.57 -3.29 -0.00 0.00 1.23 0.00 0.00 39.78 38.29 1wnf n ASN 143 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wnf n GLY 144 N -1.66 0.48 3.27 8.20 0.00 -1.26 -4.99 105.19 109.23 1wnf n GLY 144 Ca -0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1wnf n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnf s LYS 145 N -0.89 1.09 -0.17 1.61 1.02 -0.63 -2.10 119.74 119.67 1wnf s LYS 145 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1wnf s LYS 145 Cb 0.00 -1.19 0.03 0.00 -0.52 0.00 0.00 37.83 36.15 1wnf s LYS 145 CO 0.00 0.26 -0.10 0.08 -0.92 0.00 0.00 175.35 174.67 1wnf s VAL 146 N -1.57 1.43 0.12 3.17 1.01 0.13 -0.84 120.40 123.85 1wnf s VAL 146 Ca 0.08 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1wnf s VAL 146 Cb -0.08 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1wnf s VAL 146 CO 0.04 0.27 -0.21 -0.04 0.00 0.00 0.00 175.10 175.16 1wnf s MET 147 N 1.51 1.66 0.10 2.72 1.00 0.07 -0.53 119.30 125.84 1wnf s MET 147 Ca 0.02 -1.23 -0.31 0.00 0.00 0.00 0.00 55.69 54.17 1wnf s MET 147 Cb -0.15 -2.04 -0.09 0.00 0.00 0.00 0.00 34.83 32.55 1wnf s MET 147 CO -0.09 0.47 1.74 -1.17 0.00 0.00 0.00 175.02 175.98 1wnf s LEU 148 N -2.06 4.38 0.23 -0.03 2.96 -1.26 -1.34 118.68 121.57 1wnf s LEU 148 Ca 0.16 2.63 -0.06 0.00 -0.22 0.00 0.00 54.13 56.65 1wnf s LEU 148 Cb -0.10 -3.57 0.38 0.00 0.50 0.00 0.00 46.19 43.41 1wnf s LEU 148 CO 0.08 -0.95 1.75 1.23 -1.32 0.00 0.00 176.35 177.15 1wnf h GLY 149 N 8.53 1.08 1.17 7.98 0.00 -1.20 -0.30 103.07 120.33 1wnf h GLY 149 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1wnf h GLY 149 CO 0.94 -0.02 0.00 1.55 0.00 0.00 0.00 176.54 179.01 1wnf n VAL 150 N -4.94 0.16 0.15 4.60 3.14 -1.26 -2.30 118.33 117.88 1wnf n VAL 150 Ca 0.12 0.04 0.02 0.00 -2.96 0.00 0.00 64.34 61.56 1wnf n VAL 150 Cb 0.34 -0.78 -0.01 0.00 -1.06 0.00 0.00 33.84 32.33 1wnf n VAL 150 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wnf n ARG 151 N -1.08 3.97 -2.99 1.45 5.12 -0.18 -4.58 116.66 118.36 1wnf n ARG 151 Ca 0.11 -0.22 -0.34 0.00 -1.93 0.00 0.00 57.85 55.47 1wnf n ARG 151 Cb 0.08 -0.78 -0.06 0.00 -1.16 0.00 0.00 32.46 30.54 1wnf n ARG 151 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wnf s ALA 152 N -0.99 3.24 -0.03 7.54 0.00 -0.85 -1.15 121.76 129.52 1wnf s ALA 152 Ca 0.02 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1wnf s ALA 152 Cb 0.03 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1wnf s ALA 152 CO 0.10 0.25 0.18 0.45 0.00 0.00 0.00 175.76 176.74 1wnf s SER 153 N -2.06 -0.09 -0.55 0.00 0.15 -0.49 -4.85 113.70 105.81 1wnf s SER 153 Ca 0.54 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.03 1wnf s SER 153 Cb -0.12 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1wnf s SER 153 CO 0.17 -0.27 0.81 -0.75 1.20 0.00 0.00 173.24 174.41 1wnf s LYS 154 N -0.82 3.20 0.02 5.44 2.20 -1.26 -1.51 119.74 127.01 1wnf s LYS 154 Ca -0.09 -0.66 0.22 0.00 -0.36 0.00 0.00 55.97 55.08 1wnf s LYS 154 Cb -0.05 -4.11 -0.26 0.00 -1.51 0.00 0.00 37.83 31.90 1wnf s LYS 154 CO 0.01 -1.44 0.62 0.44 -0.36 0.00 0.00 175.35 174.62 1wnf n ILE 155 N 5.89 0.14 -5.26 5.43 -5.35 -0.43 -4.93 119.36 114.86 1wnf n ILE 155 Ca -0.03 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.64 1wnf n ILE 155 Cb 0.46 -0.05 -0.16 0.00 -1.74 0.00 0.00 39.64 38.15 1wnf n ILE 155 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1wnf s ARG 156 N -3.47 2.34 0.00 6.28 3.52 -1.05 -5.03 118.95 121.54 1wnf s ARG 156 Ca -0.06 -0.90 0.23 0.00 -0.13 0.00 0.00 55.73 54.87 1wnf s ARG 156 Cb 0.13 -2.08 -0.00 0.00 -1.56 0.00 0.00 34.95 31.44 1wnf s ARG 156 CO 0.88 0.44 1.08 -1.13 -0.81 0.00 0.00 175.30 175.77 1wnf n SER 157 N 2.76 1.76 0.00 -2.12 3.41 -1.26 -4.65 113.62 113.52 1wnf n SER 157 Ca -0.17 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1wnf n SER 157 Cb 0.52 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1wnf n SER 157 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1wnf n MET 158 N -0.36 0.00 -0.78 4.33 2.81 -1.26 -5.11 117.12 116.75 1wnf n MET 158 Ca 0.08 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.68 1wnf n MET 158 Cb 0.43 -0.30 0.20 0.00 -0.71 0.00 0.00 33.22 32.85 1wnf n MET 158 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wnf s GLY 159 N -4.74 1.59 0.38 3.03 0.00 -1.26 -4.94 107.32 101.38 1wnf s GLY 159 Ca 0.00 0.01 0.17 0.00 0.00 0.00 0.00 44.72 44.89 1wnf s GLY 159 CO 0.00 0.61 1.81 0.74 0.00 0.00 0.00 173.10 176.26 1wnf h PHE 160 N -2.18 0.00 -0.92 1.90 -1.00 -1.99 -3.28 116.94 109.48 1wnf h PHE 160 Ca -0.55 0.00 -0.72 0.00 2.81 0.00 0.00 57.97 59.52 1wnf h PHE 160 Cb 1.31 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.77 1wnf h PHE 160 CO 0.35 0.36 2.63 -3.47 -1.61 0.00 0.00 178.31 176.58 1wnf n ASP 161 N -3.81 8.15 0.05 2.17 4.64 -1.26 -4.54 116.55 121.94 1wnf n ASP 161 Ca -0.01 -3.03 -0.10 0.00 -1.38 0.00 0.00 54.79 50.27 1wnf n ASP 161 Cb 0.44 -1.40 0.03 0.00 -1.04 0.00 0.00 41.12 39.15 1wnf n ASP 161 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wnf h ALA 162 N 4.63 0.61 -3.01 -1.67 0.00 -1.83 -3.42 119.26 114.56 1wnf h ALA 162 Ca 0.73 -0.60 -0.63 0.00 0.00 0.00 0.00 54.91 54.42 1wnf h ALA 162 Cb 0.31 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1wnf h ALA 162 CO 1.52 0.75 -0.54 -0.06 0.00 0.00 0.00 179.25 180.92 1wnf s PHE 163 N -3.66 3.38 -0.06 0.00 0.08 -1.26 -1.31 117.98 115.15 1wnf s PHE 163 Ca -0.06 0.18 -0.11 0.00 0.12 0.00 0.00 56.93 57.06 1wnf s PHE 163 Cb 0.11 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1wnf s PHE 163 CO 0.84 0.56 0.27 -2.00 -0.10 0.00 0.00 175.22 174.79 1wnf s GLU 164 N -2.48 0.45 -0.32 0.44 2.12 -0.57 -4.93 118.70 113.40 1wnf s GLU 164 Ca 0.33 0.10 -0.28 0.00 0.36 0.00 0.00 54.97 55.48 1wnf s GLU 164 Cb -0.13 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.48 1wnf s GLU 164 CO 0.26 -0.09 1.04 0.45 -0.54 0.00 0.00 175.26 176.38 1wnf s SER 165 N -0.50 6.89 -0.24 -1.70 0.15 -1.26 -1.39 113.70 115.64 1wnf s SER 165 Ca -0.06 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 57.39 1wnf s SER 165 Cb -0.04 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1wnf s SER 165 CO 0.02 -0.86 0.53 -0.63 1.20 0.00 0.00 173.24 173.49 1wnf s ILE 166 N 3.60 5.07 -1.89 6.45 -1.09 -0.30 -4.21 121.20 128.83 1wnf s ILE 166 Ca 0.44 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1wnf s ILE 166 Cb -0.12 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1wnf s ILE 166 CO 0.16 0.10 0.00 0.59 -1.23 0.00 0.00 174.94 174.56 1wnf n ASN 167 N 5.36 -5.37 -3.63 3.58 3.02 -1.26 -4.91 115.26 112.05 1wnf n ASN 167 Ca -0.04 0.26 -0.15 0.00 -0.03 0.00 0.00 54.58 54.63 1wnf n ASN 167 Cb 0.50 -4.63 -0.07 0.00 -0.61 0.00 0.00 39.78 34.97 1wnf n ASN 167 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1wnf s TYR 168 N -2.81 -0.67 0.61 3.10 5.04 -1.26 -5.03 117.35 116.33 1wnf s TYR 168 Ca 0.00 1.55 -0.15 0.00 -2.44 0.00 0.00 57.07 56.02 1wnf s TYR 168 Cb 0.00 0.27 -0.03 0.00 0.35 0.00 0.00 41.96 42.55 1wnf s TYR 168 CO 0.00 -0.40 1.06 -1.25 -1.34 0.00 0.00 175.55 173.63 1wnf s PRO 169 N -0.04 3.23 0.66 4.97 0.04 -1.26 -4.66 135.00 137.95 1wnf s PRO 169 Ca -0.03 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 1wnf s PRO 169 Cb -0.04 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wnf s PRO 169 CO 0.03 -0.88 1.19 -0.80 0.04 0.00 0.00 177.00 176.58 1wnf s ASN 170 N -2.82 4.74 -0.04 6.66 0.01 -1.26 -4.78 114.94 117.46 1wnf s ASN 170 Ca 0.64 2.31 -0.08 0.00 -0.71 0.00 0.00 52.86 55.01 1wnf s ASN 170 Cb -0.16 -2.59 -0.30 0.00 0.41 0.00 0.00 41.25 38.61 1wnf s ASN 170 CO 0.38 -1.89 0.70 0.58 -1.51 0.00 0.00 177.10 175.37 1wnf h VAL 171 N 0.22 0.97 -3.49 1.60 2.07 -1.09 -3.41 116.25 113.12 1wnf h VAL 171 Ca -0.49 -2.58 -0.15 0.00 0.82 0.00 0.00 66.70 64.30 1wnf h VAL 171 Cb 1.29 2.74 -0.22 0.00 -1.52 0.00 0.00 31.29 33.59 1wnf h VAL 171 CO 0.53 0.84 -0.50 0.00 0.02 0.00 0.00 177.57 178.46 1wnf s ALA 172 N -2.59 -0.33 0.10 1.67 0.00 -0.79 -0.93 121.76 118.89 1wnf s ALA 172 Ca -0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1wnf s ALA 172 Cb 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1wnf s ALA 172 CO 0.85 -0.19 0.09 -1.21 0.00 0.00 0.00 175.76 175.30 1wnf s GLU 173 N -1.14 0.84 -0.27 0.00 2.02 -0.59 -0.70 118.70 118.85 1wnf s GLU 173 Ca -0.12 -1.23 -0.15 0.00 0.02 0.00 0.00 54.97 53.49 1wnf s GLU 173 Cb -0.07 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.40 1wnf s GLU 173 CO 0.01 -0.23 0.37 0.42 0.02 0.00 0.00 175.26 175.85 1wnf s ILE 174 N -3.95 5.17 -0.08 -1.63 1.01 -0.89 0.23 121.20 121.06 1wnf s ILE 174 Ca 0.13 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.36 1wnf s ILE 174 Cb 0.06 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1wnf s ILE 174 CO -0.05 0.15 -0.09 -0.54 0.00 0.00 0.00 174.94 174.41 1wnf s LYS 175 N 2.07 1.53 -1.45 2.79 1.02 -0.40 -4.73 119.74 120.57 1wnf s LYS 175 Ca 0.15 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.74 1wnf s LYS 175 Cb -0.16 -1.42 0.03 0.00 -0.52 0.00 0.00 37.83 35.77 1wnf s LYS 175 CO 0.10 -0.11 0.94 -0.25 -0.92 0.00 0.00 175.35 175.11 1wnf n ASP 176 N 4.31 -5.76 -3.18 2.83 10.43 -1.26 -2.20 116.55 121.72 1wnf n ASP 176 Ca -0.19 -0.52 -0.19 0.00 2.57 0.00 0.00 54.79 56.45 1wnf n ASP 176 Cb 0.51 -4.59 0.07 0.00 1.84 0.00 0.00 41.12 38.95 1wnf n ASP 176 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1wnf n ASP 177 N -2.79 -4.97 -3.68 -2.24 8.00 -1.26 -5.02 116.55 104.59 1wnf n ASP 177 Ca -0.01 -0.49 -0.10 0.00 0.71 0.00 0.00 54.79 54.90 1wnf n ASP 177 Cb 0.56 -4.47 -0.09 0.00 -0.02 0.00 0.00 41.12 37.10 1wnf n ASP 177 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wnf s LYS 178 N -5.93 0.53 0.03 -1.24 -0.14 -0.94 -5.12 119.74 106.94 1wnf s LYS 178 Ca 0.40 0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 55.58 1wnf s LYS 178 Cb -0.17 0.11 -0.08 0.00 -1.68 0.00 0.00 37.83 36.00 1wnf s LYS 178 CO 0.64 -0.13 1.78 -0.51 -0.76 0.00 0.00 175.35 176.36 1wnf s LEU 179 N 1.14 4.38 -0.09 3.17 1.43 -1.26 -1.28 118.68 126.17 1wnf s LEU 179 Ca -0.07 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.55 1wnf s LEU 179 Cb -0.06 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1wnf s LEU 179 CO -0.11 -0.97 -0.12 -0.60 0.23 0.00 0.00 176.35 174.78 1wnf s ARG 180 N 3.68 2.95 -0.12 1.70 6.06 0.14 -4.94 118.95 128.43 1wnf s ARG 180 Ca 0.79 -0.66 -0.24 0.00 -2.50 0.00 0.00 55.73 53.12 1wnf s ARG 180 Cb -0.39 -2.54 -0.03 0.00 0.06 0.00 0.00 34.95 32.05 1wnf s ARG 180 CO 0.35 0.45 0.74 0.42 -2.50 0.00 0.00 175.30 174.76 1wnf s ILE 181 N -0.25 4.98 -0.13 4.11 -1.09 -1.26 -1.55 121.20 126.01 1wnf s ILE 181 Ca 0.02 1.49 0.16 0.00 -2.23 0.00 0.00 60.65 60.09 1wnf s ILE 181 Cb -0.13 -4.07 -0.24 0.00 -1.58 0.00 0.00 42.46 36.44 1wnf s ILE 181 CO 0.03 0.15 0.37 0.18 -1.23 0.00 0.00 174.94 174.44 1wnf n LEU 182 N 4.44 0.41 -3.63 2.97 4.77 -0.10 -4.99 117.00 120.87 1wnf n LEU 182 Ca 0.01 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1wnf n LEU 182 Cb 0.50 0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 1wnf n LEU 182 CO 0.47 0.43 1.06 -1.38 -1.33 0.00 0.00 177.39 176.64 1wnf s HIS 183 N -2.58 -0.13 -0.27 -1.77 -3.43 -1.21 -5.07 115.29 100.83 1wnf s HIS 183 Ca -0.07 0.25 -0.08 0.00 -0.80 0.00 0.00 55.06 54.36 1wnf s HIS 183 Cb 0.07 0.48 -0.02 0.00 -1.43 0.00 0.00 32.58 31.67 1wnf s HIS 183 CO 0.83 -0.10 0.11 -1.50 -2.00 0.00 0.00 174.74 172.08 1wnf s ILE 184 N -0.74 4.52 0.22 -5.38 2.07 -1.26 -4.72 121.20 115.91 1wnf s ILE 184 Ca 0.06 -0.22 -0.31 0.00 -1.41 0.00 0.00 60.65 58.77 1wnf s ILE 184 Cb -0.02 -3.19 -0.11 0.00 0.13 0.00 0.00 42.46 39.28 1wnf s ILE 184 CO -0.08 0.23 1.60 -2.16 -1.91 0.00 0.00 174.94 172.62 1wnf s PRO 185 N 1.63 4.18 -0.01 3.50 0.04 -1.26 -4.89 135.00 138.19 1wnf s PRO 185 Ca 0.06 2.47 0.06 0.00 0.04 0.00 0.00 61.00 63.63 1wnf s PRO 185 Cb -0.16 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 1wnf s PRO 185 CO 0.05 -0.62 0.18 -0.40 0.04 0.00 0.00 177.00 176.25 1wnf n ASP 186 N 3.26 2.64 0.00 6.66 3.85 -1.26 -4.70 116.55 127.00 1wnf n ASP 186 Ca 0.12 -0.18 0.00 0.00 -0.71 0.00 0.00 54.79 54.02 1wnf n ASP 186 Cb 0.38 1.22 0.00 0.00 -1.35 0.00 0.00 41.12 41.36 1wnf n ASP 186 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.20 178.41 1wnf n PHE 187 N -1.57 0.00 -3.23 2.11 1.16 -1.26 -4.62 117.46 110.05 1wnf n PHE 187 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 1wnf n PHE 187 Cb 0.15 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.96 1wnf n PHE 187 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1wnf s TYR 188 N -1.02 3.42 0.00 2.97 1.51 -1.26 -4.91 117.35 118.05 1wnf s TYR 188 Ca 0.00 1.12 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 1wnf s TYR 188 Cb 0.00 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1wnf s TYR 188 CO 0.00 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1wnf n GLY 189 N -0.15 1.68 0.24 0.71 0.00 -1.26 -5.09 105.19 101.32 1wnf n GLY 189 Ca 0.02 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.80 1wnf n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wnf n ASP 190 N -1.19 1.74 -4.73 1.61 10.43 -1.26 -4.90 116.55 118.25 1wnf n ASP 190 Ca 0.00 0.30 -0.42 0.00 2.57 0.00 0.00 54.79 57.24 1wnf n ASP 190 Cb 0.00 -0.70 -0.02 0.00 1.84 0.00 0.00 41.12 42.23 1wnf n ASP 190 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1wnf s GLU 191 N -2.56 4.15 -0.17 -1.24 -1.05 -1.26 -4.95 118.70 111.62 1wnf s GLU 191 Ca -0.31 2.54 -0.08 0.00 -0.15 0.00 0.00 54.97 56.96 1wnf s GLU 191 Cb 0.10 -3.07 -0.04 0.00 -0.44 0.00 0.00 34.13 30.67 1wnf s GLU 191 CO 0.41 -0.66 0.12 0.12 0.95 0.00 0.00 175.26 176.19 1wnf s PHE 192 N 0.67 3.45 0.06 4.83 5.36 -1.26 -4.68 117.98 126.39 1wnf s PHE 192 Ca 0.69 0.36 -0.17 0.00 -0.96 0.00 0.00 56.93 56.85 1wnf s PHE 192 Cb -0.47 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1wnf s PHE 192 CO 0.38 0.44 0.39 -0.59 -1.46 0.00 0.00 175.22 174.38 1wnf s PHE 193 N -0.17 -0.23 -0.04 10.12 -0.71 -1.11 -5.08 117.98 120.76 1wnf s PHE 193 Ca 0.10 0.13 0.02 0.00 -1.04 0.00 0.00 56.93 56.14 1wnf s PHE 193 Cb -0.12 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1wnf s PHE 193 CO 0.01 -0.58 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.69 1wnf s SER 194 N -2.14 4.62 -0.46 1.98 1.04 -1.26 -2.37 113.70 115.10 1wnf s SER 194 Ca -0.04 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.41 1wnf s SER 194 Cb -0.00 -1.13 0.38 0.00 0.10 0.00 0.00 66.02 65.37 1wnf s SER 194 CO -0.04 0.34 0.94 -0.67 0.98 0.00 0.00 173.24 174.79 1wnf n ASP 195 N 2.01 3.31 -4.56 7.02 -0.08 0.82 -5.02 116.55 120.05 1wnf n ASP 195 Ca -0.17 -3.41 -0.30 0.00 -1.51 0.00 0.00 54.79 49.40 1wnf n ASP 195 Cb 0.53 -0.55 -0.05 0.00 2.34 0.00 0.00 41.12 43.40 1wnf n ASP 195 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1wnf s ILE 196 N -4.09 3.57 -0.10 5.18 1.01 -1.26 -4.58 121.20 120.93 1wnf s ILE 196 Ca 0.44 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 1wnf s ILE 196 Cb 0.35 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.57 1wnf s ILE 196 CO -0.11 -1.19 0.61 -1.59 0.00 0.00 0.00 174.94 172.65 1wnf s LYS 197 N 6.46 0.90 -0.00 2.79 0.00 -1.26 -5.13 119.74 123.49 1wnf s LYS 197 Ca 0.64 0.37 -0.29 0.00 0.00 0.00 0.00 55.97 56.69 1wnf s LYS 197 Cb -0.04 0.42 0.10 0.00 0.00 0.00 0.00 37.83 38.31 1wnf s LYS 197 CO -0.01 -0.23 0.97 1.52 0.00 0.00 0.00 175.35 177.59 1wnf s TYR 198 N -0.76 -0.26 -0.20 1.78 1.13 -1.26 -4.57 117.35 113.21 1wnf s TYR 198 Ca -0.08 0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.70 1wnf s TYR 198 Cb -0.02 0.55 0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1wnf s TYR 198 CO 0.06 -0.53 -0.13 -2.00 -2.51 0.00 0.00 175.55 170.44 1wnf s GLU 199 N -3.01 2.36 0.42 -3.49 -6.30 -0.20 -4.63 118.70 103.86 1wnf s GLU 199 Ca 0.07 -0.94 0.22 0.00 -2.50 0.00 0.00 54.97 51.83 1wnf s GLU 199 Cb -0.01 -2.54 0.32 0.00 0.00 0.00 0.00 34.13 31.90 1wnf s GLU 199 CO -0.06 -0.39 1.60 -1.00 0.02 0.00 0.00 175.26 175.43 1wnf h PRO 200 N 7.92 0.00 -5.61 4.30 0.13 -1.97 -3.40 132.00 133.37 1wnf h PRO 200 Ca -0.31 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.13 1wnf h PRO 200 Cb 1.10 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1wnf h PRO 200 CO 0.52 0.05 1.91 0.21 -0.23 0.00 0.00 178.00 180.46 1wnf s LYS 201 N -3.19 3.96 0.12 0.86 2.20 -1.26 -4.92 119.74 117.51 1wnf s LYS 201 Ca 0.07 -2.04 0.05 0.00 -0.36 0.00 0.00 55.97 53.69 1wnf s LYS 201 Cb 0.05 -5.40 -0.04 0.00 -1.51 0.00 0.00 37.83 30.94 1wnf s LYS 201 CO 0.68 -2.13 -0.13 0.14 -0.36 0.00 0.00 175.35 173.54 1wnf s VAL 202 N 3.67 1.25 0.04 4.02 -7.23 -1.26 -0.91 120.40 119.98 1wnf s VAL 202 Ca 0.50 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 1wnf s VAL 202 Cb 0.02 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1wnf s VAL 202 CO 0.04 -0.45 -0.15 -1.48 -0.31 0.00 0.00 175.10 172.75 1wnf s LEU 203 N -2.48 2.18 -0.18 1.32 2.34 -0.63 -4.98 118.68 116.25 1wnf s LEU 203 Ca 0.09 -0.48 -0.01 0.00 0.06 0.00 0.00 54.13 53.78 1wnf s LEU 203 Cb -0.04 -0.64 -0.01 0.00 -0.56 0.00 0.00 46.19 44.94 1wnf s LEU 203 CO 0.02 0.04 -0.11 -0.69 -1.06 0.00 0.00 176.35 174.55 1wnf s VAL 204 N -0.89 2.98 -0.02 1.48 1.01 -1.26 -0.78 120.40 122.92 1wnf s VAL 204 Ca 0.02 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1wnf s VAL 204 Cb -0.08 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1wnf s VAL 204 CO 0.01 0.49 -0.14 0.27 0.00 0.00 0.00 175.10 175.73 1wnf s ILE 205 N 0.99 1.14 0.16 2.22 -4.36 -0.84 -5.00 121.20 115.51 1wnf s ILE 205 Ca -0.01 -0.59 -0.27 0.00 -0.26 0.00 0.00 60.65 59.52 1wnf s ILE 205 Cb -0.15 -0.98 -0.07 0.00 1.25 0.00 0.00 42.46 42.51 1wnf s ILE 205 CO -0.01 0.33 0.85 -0.75 0.24 0.00 0.00 174.94 175.60 1wnf s LYS 206 N -0.10 4.66 0.13 0.37 2.20 -1.26 -1.55 119.74 124.20 1wnf s LYS 206 Ca 0.01 1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 56.61 1wnf s LYS 206 Cb -0.08 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 1wnf s LYS 206 CO 0.00 0.45 0.95 -0.51 -0.36 0.00 0.00 175.35 175.88 1wnf s LEU 207 N -0.78 4.53 0.05 5.43 1.43 -0.41 -4.88 118.68 124.05 1wnf s LEU 207 Ca 0.40 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1wnf s LEU 207 Cb -0.24 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 1wnf s LEU 207 CO 0.28 -0.02 -0.06 0.27 0.23 0.00 0.00 176.35 177.05 1wnf s ILE 208 N -0.22 0.43 0.27 -0.59 -4.36 -1.26 -4.81 121.20 110.66 1wnf s ILE 208 Ca 0.46 -1.33 -0.30 0.00 -0.26 0.00 0.00 60.65 59.22 1wnf s ILE 208 Cb -0.24 -0.89 -0.13 0.00 1.25 0.00 0.00 42.46 42.45 1wnf s ILE 208 CO 0.30 -0.60 1.33 -0.81 0.24 0.00 0.00 174.94 175.40 1wnf n PRO 209 N 0.98 1.96 -0.40 0.37 -0.04 -1.26 -1.77 135.00 134.85 1wnf n PRO 209 Ca -0.20 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1wnf n PRO 209 Cb 0.57 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1wnf n PRO 209 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wnf n GLY 210 N 1.67 1.71 3.66 0.55 0.00 -1.26 -5.01 105.19 106.50 1wnf n GLY 210 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 1wnf n GLY 210 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wnf n LEU 211 N 0.00 2.86 -4.93 0.99 0.00 -0.73 -4.95 117.00 110.25 1wnf n LEU 211 Ca 0.00 1.12 -0.25 0.00 0.00 0.00 0.00 56.01 56.87 1wnf n LEU 211 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 43.42 42.02 1wnf n LEU 211 CO 0.00 -0.51 0.26 -0.55 0.00 0.00 0.00 177.39 176.58 1wnf s SER 212 N 0.54 6.30 0.00 1.96 0.15 -1.26 -4.39 113.70 116.99 1wnf s SER 212 Ca 0.74 0.62 0.29 0.00 0.70 0.00 0.00 55.95 58.30 1wnf s SER 212 Cb -0.70 -2.11 1.23 0.00 -1.71 0.00 0.00 66.02 62.73 1wnf s SER 212 CO 0.45 -0.37 1.89 0.61 1.20 0.00 0.00 173.24 177.01 1wnf n GLY 213 N -1.85 -1.24 0.31 9.45 0.00 -1.26 -4.12 105.19 106.48 1wnf n GLY 213 Ca -0.03 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1wnf n GLY 213 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wnf h ASP 214 N 0.17 0.43 0.66 1.61 -0.00 -1.94 0.73 116.42 118.07 1wnf h ASP 214 Ca 0.00 0.13 -0.04 0.00 -0.00 0.00 0.00 57.03 57.12 1wnf h ASP 214 Cb 0.39 0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.80 1wnf h ASP 214 CO 0.00 0.09 -0.18 -0.29 -0.00 0.00 0.00 179.24 178.87 1wnf h ILE 215 N 0.50 0.55 0.12 4.15 6.09 -2.00 -1.96 117.51 124.96 1wnf h ILE 215 Ca 0.53 -0.84 -0.28 0.00 -1.37 0.00 0.00 64.86 62.89 1wnf h ILE 215 Cb 0.91 1.56 0.00 0.00 0.47 0.00 0.00 36.82 39.77 1wnf h ILE 215 CO -0.46 0.17 -1.34 0.58 -3.07 0.00 0.00 178.15 174.03 1wnf h VAL 216 N 0.00 1.39 -0.27 2.19 2.07 -1.15 -2.69 116.25 117.79 1wnf h VAL 216 Ca -0.00 -2.98 -0.12 0.00 0.82 0.00 0.00 66.70 64.42 1wnf h VAL 216 Cb 0.55 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1wnf h VAL 216 CO 0.02 0.87 -0.33 -0.09 0.02 0.00 0.00 177.57 178.05 1wnf h ARG 217 N 0.07 0.59 0.00 1.57 2.43 -1.13 -2.97 114.38 114.93 1wnf h ARG 217 Ca -0.17 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.66 1wnf h ARG 217 Cb 1.99 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.51 1wnf h ARG 217 CO 0.19 0.84 -0.37 0.93 -1.51 0.00 0.00 179.97 180.05 1wnf h GLU 218 N 0.50 0.00 -0.28 0.20 4.39 -1.41 -2.92 114.58 115.06 1wnf h GLU 218 Ca 0.06 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1wnf h GLU 218 Cb 0.82 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1wnf h GLU 218 CO 0.07 0.37 -0.28 0.00 -1.16 0.00 0.00 179.01 178.01 1wnf h ALA 219 N 1.63 0.99 -0.19 3.43 0.00 -1.32 -0.58 119.26 123.21 1wnf h ALA 219 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1wnf h ALA 219 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wnf h ALA 219 CO 0.05 0.60 0.02 1.25 0.00 0.00 0.00 179.25 181.16 1wnf h LEU 220 N 0.48 0.32 -1.30 0.00 5.85 -1.44 -0.58 115.31 118.64 1wnf h LEU 220 Ca 0.06 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1wnf h LEU 220 Cb 0.74 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1wnf h LEU 220 CO 0.06 0.53 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.51 1wnf h ARG 221 N 0.10 0.37 0.00 1.25 2.43 -1.34 -2.28 114.38 114.91 1wnf h ARG 221 Ca 0.06 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1wnf h ARG 221 Cb 0.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1wnf h ARG 221 CO 0.01 0.47 0.00 1.28 -1.51 0.00 0.00 179.97 180.22 1wnf n LEU 222 N -4.27 0.00 0.00 3.80 4.32 -0.24 -4.89 117.00 115.72 1wnf n LEU 222 Ca 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 1wnf n LEU 222 Cb 0.27 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1wnf n LEU 222 CO 0.39 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1wnf n GLY 223 N 0.60 0.82 3.76 -0.72 0.00 -0.86 -5.07 105.19 103.71 1wnf n GLY 223 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1wnf n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wnf s TYR 224 N -2.00 2.97 -2.74 1.61 1.51 -0.25 -4.92 117.35 113.54 1wnf s TYR 224 Ca 0.00 1.15 0.23 0.00 -1.01 0.00 0.00 57.07 57.44 1wnf s TYR 224 Cb 0.00 -3.81 0.16 0.00 -0.11 0.00 0.00 41.96 38.20 1wnf s TYR 224 CO 0.00 -2.49 1.20 1.63 -1.11 0.00 0.00 175.55 174.78 1wnf n LYS 225 N 1.65 2.06 -3.60 -0.62 5.02 -0.09 -4.63 118.16 117.94 1wnf n LYS 225 Ca 0.04 -1.76 -0.12 0.00 -2.02 0.00 0.00 58.31 54.46 1wnf n LYS 225 Cb 0.40 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1wnf n LYS 225 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wnf s GLY 226 N -1.94 -0.31 -0.05 0.72 0.00 -1.25 -4.13 107.32 100.35 1wnf s GLY 226 Ca 0.25 2.20 0.03 0.00 0.00 0.00 0.00 44.72 47.21 1wnf s GLY 226 CO 0.31 1.49 -0.15 -0.42 0.00 0.00 0.00 173.10 174.33 1wnf s ILE 227 N -0.29 1.30 -0.22 0.90 1.01 -0.63 -1.61 121.20 121.66 1wnf s ILE 227 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1wnf s ILE 227 Cb -0.03 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1wnf s ILE 227 CO -0.01 0.38 -0.12 -0.63 0.00 0.00 0.00 174.94 174.57 1wnf s ILE 228 N 0.28 2.57 -0.31 2.92 1.01 0.04 0.60 121.20 128.32 1wnf s ILE 228 Ca -0.08 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 1wnf s ILE 228 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1wnf s ILE 228 CO 0.03 0.34 0.36 -0.76 0.00 0.00 0.00 174.94 174.91 1wnf s LEU 229 N 1.31 4.22 -0.78 2.97 1.02 0.13 -1.99 118.68 125.56 1wnf s LEU 229 Ca 0.02 0.03 -0.24 0.00 0.02 0.00 0.00 54.13 53.96 1wnf s LEU 229 Cb -0.15 -2.37 0.06 0.00 0.02 0.00 0.00 46.19 43.74 1wnf s LEU 229 CO -0.08 -0.25 1.19 -0.70 0.02 0.00 0.00 176.35 176.53 1wnf s GLU 230 N 2.04 3.28 0.96 1.70 2.12 -0.59 -1.51 118.70 126.70 1wnf s GLU 230 Ca 0.13 -0.76 -0.15 0.00 0.36 0.00 0.00 54.97 54.56 1wnf s GLU 230 Cb -0.16 -4.49 0.17 0.00 0.26 0.00 0.00 34.13 29.91 1wnf s GLU 230 CO 0.11 -2.01 1.19 0.20 -0.54 0.00 0.00 175.26 174.21 1wnf s GLY 231 N 3.93 1.64 0.04 -1.50 0.00 0.82 -1.29 107.32 110.96 1wnf s GLY 231 Ca 0.32 -0.82 -0.32 0.00 0.00 0.00 0.00 44.72 43.91 1wnf s GLY 231 CO 0.06 -0.15 1.41 -0.97 0.00 0.00 0.00 173.10 173.45 1wnf h TYR 232 N -1.66 -0.98 0.00 1.90 0.99 -1.86 0.86 116.97 116.23 1wnf h TYR 232 Ca -0.47 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1wnf h TYR 232 Cb 1.30 0.32 0.00 0.00 1.00 0.00 0.00 36.73 39.35 1wnf h TYR 232 CO -0.54 -0.59 0.00 0.41 -0.00 0.00 0.00 178.16 177.43 1wnf n GLY 233 N -1.20 2.36 0.33 3.88 0.00 -1.26 -4.27 105.19 105.02 1wnf n GLY 233 Ca -0.14 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.11 1wnf n GLY 233 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wnf h VAL 234 N 0.00 0.34 0.00 1.61 3.04 -1.92 -3.43 116.25 115.89 1wnf h VAL 234 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1wnf h VAL 234 Cb 0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.26 1wnf h VAL 234 CO 0.00 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.23 1wnf n GLY 235 N -1.32 4.95 0.00 3.17 0.00 -1.26 -0.29 105.19 110.44 1wnf n GLY 235 Ca 0.28 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1wnf n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnf n GLY 236 N -1.90 3.84 3.18 -0.02 0.00 -1.26 -3.92 105.19 105.11 1wnf n GLY 236 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1wnf n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 237 N -1.58 2.74 0.26 -0.61 1.01 -1.26 -4.77 121.20 116.99 1wnf s ILE 237 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 1wnf s ILE 237 Cb 0.00 -2.39 -0.14 0.00 0.01 0.00 0.00 42.46 39.94 1wnf s ILE 237 CO 0.00 0.20 1.17 -2.65 0.00 0.00 0.00 174.94 173.66 1wnf n PRO 238 N 4.64 1.56 0.00 2.79 -0.02 -1.26 -4.77 135.00 137.94 1wnf n PRO 238 Ca -0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1wnf n PRO 238 Cb 0.47 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1wnf n PRO 238 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1wnf n TYR 239 N 0.87 0.00 -3.36 6.00 0.18 -1.26 -2.88 117.16 116.71 1wnf n TYR 239 Ca 0.10 -0.06 -0.40 0.00 1.88 0.00 0.00 57.90 59.42 1wnf n TYR 239 Cb 0.31 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.17 1wnf n TYR 239 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1wnf s ARG 240 N -0.12 3.80 -0.61 -3.48 3.52 -1.26 -4.26 118.95 116.54 1wnf s ARG 240 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1wnf s ARG 240 Cb 0.00 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 1wnf s ARG 240 CO 0.00 -0.43 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1wnf n GLY 241 N 4.78 0.72 3.15 8.12 0.00 -1.26 -4.95 105.19 115.75 1wnf n GLY 241 Ca -0.08 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1wnf n GLY 241 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wnf s THR 242 N -1.88 0.12 -2.65 2.61 -1.32 -1.26 -5.01 115.64 106.25 1wnf s THR 242 Ca 0.00 -1.00 0.25 0.00 -1.21 0.00 0.00 61.69 59.73 1wnf s THR 242 Cb 0.00 -0.90 0.40 0.00 -1.51 0.00 0.00 72.50 70.49 1wnf s THR 242 CO 0.00 -0.55 1.51 -0.90 -2.21 0.00 0.00 174.62 172.47 1wnf n ASP 243 N 0.73 2.27 -0.17 8.08 5.75 -1.26 -4.55 116.55 127.40 1wnf n ASP 243 Ca -0.19 -1.76 -0.03 0.00 -0.01 0.00 0.00 54.79 52.80 1wnf n ASP 243 Cb 0.59 -0.04 0.04 0.00 -1.03 0.00 0.00 41.12 40.67 1wnf n ASP 243 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1wnf h LEU 244 N 3.41 -0.63 -0.89 -2.12 5.85 -1.80 0.38 115.31 119.50 1wnf h LEU 244 Ca 0.00 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1wnf h LEU 244 Cb 0.73 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1wnf h LEU 244 CO 0.00 -0.21 0.11 0.15 -0.34 0.00 0.00 178.44 178.15 1wnf h PHE 245 N -0.05 0.98 0.08 1.25 3.04 -1.77 -0.99 116.94 119.48 1wnf h PHE 245 Ca 0.25 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1wnf h PHE 245 Cb 0.44 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1wnf h PHE 245 CO -0.48 0.82 -0.04 1.49 -2.02 0.00 0.00 178.31 178.08 1wnf h GLU 246 N 0.89 -0.10 -0.69 1.11 4.81 -1.52 -1.78 114.58 117.29 1wnf h GLU 246 Ca 0.19 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1wnf h GLU 246 Cb 0.36 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1wnf h GLU 246 CO 0.01 0.01 0.40 0.28 -0.73 0.00 0.00 179.01 178.97 1wnf h VAL 247 N -0.19 1.21 -0.26 0.32 2.07 -0.79 -2.81 116.25 115.80 1wnf h VAL 247 Ca -0.01 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1wnf h VAL 247 Cb 0.16 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1wnf h VAL 247 CO 0.02 0.22 -0.12 0.58 0.02 0.00 0.00 177.57 178.29 1wnf h VAL 248 N 0.95 1.22 -0.59 2.57 2.07 -1.11 -1.63 116.25 119.73 1wnf h VAL 248 Ca 0.25 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1wnf h VAL 248 Cb 0.01 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1wnf h VAL 248 CO -0.04 0.31 0.39 0.28 0.02 0.00 0.00 177.57 178.53 1wnf h SER 249 N 0.40 0.58 0.05 0.57 0.02 -1.04 -0.03 113.55 114.10 1wnf h SER 249 Ca 0.08 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.70 1wnf h SER 249 Cb 0.47 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1wnf h SER 249 CO 0.03 0.40 -1.77 -1.54 -1.14 0.00 0.00 176.83 172.80 1wnf n SER 250 N -4.47 1.99 0.11 3.07 3.41 -1.09 -4.26 113.62 112.38 1wnf n SER 250 Ca 0.07 0.29 0.05 0.00 -0.26 0.00 0.00 58.87 59.02 1wnf n SER 250 Cb 0.15 -0.87 0.48 0.00 -0.26 0.00 0.00 64.21 63.71 1wnf n SER 250 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1wnf h ILE 251 N -0.49 1.09 0.00 -1.33 5.03 -1.28 -1.49 117.51 119.04 1wnf h ILE 251 Ca -0.43 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.04 1wnf h ILE 251 Cb 1.68 0.81 0.00 0.00 -3.03 0.00 0.00 36.82 36.28 1wnf h ILE 251 CO -0.10 0.10 0.00 -1.54 -0.68 0.00 0.00 178.15 175.93 1wnf n SER 252 N -4.45 0.00 -0.65 1.72 3.41 -0.03 -1.13 113.62 112.50 1wnf n SER 252 Ca 0.00 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.77 1wnf n SER 252 Cb 0.12 -0.25 0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1wnf n SER 252 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wnf n LYS 253 N -1.25 1.38 -0.00 4.33 5.02 -0.56 -4.51 118.16 122.57 1wnf n LYS 253 Ca 0.05 -1.44 -0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1wnf n LYS 253 Cb 0.08 -1.32 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1wnf n LYS 253 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wnf n ARG 254 N 0.85 2.21 -4.10 1.97 1.74 -0.33 -4.99 116.66 114.01 1wnf n ARG 254 Ca 0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 1wnf n ARG 254 Cb 0.41 -1.01 -0.13 0.00 -1.02 0.00 0.00 32.46 30.71 1wnf n ARG 254 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1wnf s ILE 255 N -2.01 0.43 0.00 0.55 1.10 -0.28 -4.99 121.20 116.00 1wnf s ILE 255 Ca -0.01 -0.57 -0.30 0.00 -0.51 0.00 0.00 60.65 59.26 1wnf s ILE 255 Cb 0.00 -0.43 -0.05 0.00 0.15 0.00 0.00 42.46 42.14 1wnf s ILE 255 CO 0.02 -0.11 1.23 -2.16 -2.11 0.00 0.00 174.94 171.81 1wnf s PRO 256 N -0.73 4.38 -0.21 3.50 0.04 -1.26 -3.99 135.00 136.72 1wnf s PRO 256 Ca -0.03 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1wnf s PRO 256 Cb -0.05 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1wnf s PRO 256 CO 0.00 -0.38 -0.09 0.14 0.04 0.00 0.00 177.00 176.70 1wnf s VAL 257 N 1.75 2.87 -0.03 -0.36 -7.23 -1.26 -1.61 120.40 114.53 1wnf s VAL 257 Ca 0.58 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.94 1wnf s VAL 257 Cb -0.28 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1wnf s VAL 257 CO 0.26 0.42 0.25 -0.69 -0.31 0.00 0.00 175.10 175.02 1wnf s VAL 258 N 1.39 5.32 -0.22 1.32 1.01 0.20 -1.15 120.40 128.27 1wnf s VAL 258 Ca 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1wnf s VAL 258 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1wnf s VAL 258 CO -0.07 0.47 -0.09 -0.22 0.00 0.00 0.00 175.10 175.20 1wnf s LEU 259 N -1.45 2.83 0.00 3.92 2.96 0.45 0.22 118.68 127.62 1wnf s LEU 259 Ca 0.23 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1wnf s LEU 259 Cb -0.13 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 1wnf s LEU 259 CO 0.12 -0.06 0.00 1.07 -1.32 0.00 0.00 176.35 176.17 1wnf n THR 260 N 4.70 0.00 -4.39 3.68 5.66 -0.57 -2.18 114.28 121.19 1wnf n THR 260 Ca -0.18 -0.13 -0.27 0.00 -3.05 0.00 0.00 64.05 60.42 1wnf n THR 260 Cb 0.49 0.03 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 1wnf n THR 260 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wnf s THR 261 N -1.21 2.54 0.16 1.09 -1.32 -1.26 -0.13 115.64 115.51 1wnf s THR 261 Ca 0.00 -1.92 -0.03 0.00 -1.21 0.00 0.00 61.69 58.53 1wnf s THR 261 Cb 0.00 -2.22 -0.13 0.00 -1.51 0.00 0.00 72.50 68.64 1wnf s THR 261 CO 0.00 -0.10 1.39 -0.61 -2.21 0.00 0.00 174.62 173.10 1wnf h GLN 262 N 3.20 0.46 -6.99 7.08 -0.00 0.59 -3.43 115.11 116.00 1wnf h GLN 262 Ca -0.47 -0.39 -0.54 0.00 -0.00 0.00 0.00 58.65 57.25 1wnf h GLN 262 Cb 1.20 0.09 0.11 0.00 0.00 0.00 0.00 27.48 28.89 1wnf h GLN 262 CO 0.49 1.03 0.66 0.00 0.00 0.00 0.00 178.83 181.01 1wnf s ALA 263 N -3.57 3.16 0.20 3.38 0.00 -1.26 -4.92 121.76 118.74 1wnf s ALA 263 Ca -0.06 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1wnf s ALA 263 Cb 0.10 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.79 1wnf s ALA 263 CO 0.85 -1.15 1.48 0.82 0.00 0.00 0.00 175.76 177.76 1wnf h ILE 264 N 2.15 1.43 -2.73 0.00 2.04 -1.99 -3.44 117.51 114.97 1wnf h ILE 264 Ca -0.51 -2.27 -0.58 0.00 1.00 0.00 0.00 64.86 62.50 1wnf h ILE 264 Cb 1.27 2.21 -0.09 0.00 -0.74 0.00 0.00 36.82 39.46 1wnf h ILE 264 CO 0.61 0.67 -0.62 -0.31 0.00 0.00 0.00 178.15 178.49 1wnf s TYR 265 N -3.51 2.96 0.00 1.37 2.02 -1.26 -4.72 117.35 114.21 1wnf s TYR 265 Ca -0.03 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1wnf s TYR 265 Cb 0.11 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1wnf s TYR 265 CO 0.81 0.52 0.00 -0.25 -1.57 0.00 0.00 175.55 175.07 1wnf n ASP 266 N -0.31 0.00 0.00 2.29 8.00 -1.26 -4.96 116.55 120.32 1wnf n ASP 266 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1wnf n ASP 266 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1wnf n ASP 266 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wnf n GLY 267 N 0.00 -0.79 3.67 0.44 0.00 -1.26 -4.71 105.19 102.53 1wnf n GLY 267 Ca 0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 1wnf n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnf s VAL 268 N 0.00 3.58 -0.41 1.61 0.11 0.11 -4.56 120.40 120.83 1wnf s VAL 268 Ca 0.00 -1.84 0.07 0.00 -2.93 0.00 0.00 61.98 57.29 1wnf s VAL 268 Cb 0.00 -2.91 0.18 0.00 -1.53 0.00 0.00 36.38 32.12 1wnf s VAL 268 CO 0.00 -0.36 0.65 -0.62 -3.33 0.00 0.00 175.10 171.44 1wnf s ASP 269 N -3.67 -1.49 0.00 3.54 2.15 0.61 -4.52 116.67 113.29 1wnf s ASP 269 Ca 0.31 -0.82 0.04 0.00 0.43 0.00 0.00 52.55 52.51 1wnf s ASP 269 Cb -0.07 1.91 0.25 0.00 -0.30 0.00 0.00 42.92 44.71 1wnf s ASP 269 CO 0.20 -0.16 0.67 0.18 -0.17 0.00 0.00 175.17 175.90 1wnf n LEU 270 N 4.29 0.00 -0.00 -1.34 4.32 -1.26 -2.78 117.00 120.22 1wnf n LEU 270 Ca 0.11 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.21 1wnf n LEU 270 Cb 0.57 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.24 1wnf n LEU 270 CO 0.00 0.00 -0.32 1.67 -1.22 0.00 0.00 177.39 177.53 1wnf n GLN 271 N -0.66 0.32 0.41 3.23 -0.06 -1.26 -2.13 117.38 117.23 1wnf n GLN 271 Ca 0.03 -0.07 -0.16 0.00 -2.00 0.00 0.00 57.00 54.79 1wnf n GLN 271 Cb 0.01 -1.49 -0.08 0.00 -4.06 0.00 0.00 30.24 24.62 1wnf n GLN 271 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1wnf h ARG 272 N 0.00 -1.03 -6.16 3.69 2.43 -1.90 -3.46 114.38 107.95 1wnf h ARG 272 Ca 0.00 0.07 -0.48 0.00 -0.81 0.00 0.00 59.98 58.76 1wnf h ARG 272 Cb 0.68 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1wnf h ARG 272 CO 0.00 -0.68 -0.44 0.71 -1.51 0.00 0.00 179.97 178.04 1wnf s TYR 273 N -5.07 3.44 0.26 2.20 1.51 -1.26 -5.00 117.35 113.43 1wnf s TYR 273 Ca -0.16 0.01 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1wnf s TYR 273 Cb 0.02 -1.58 0.32 0.00 -0.11 0.00 0.00 41.96 40.60 1wnf s TYR 273 CO 0.47 0.46 1.91 -0.22 -1.11 0.00 0.00 175.55 177.05 1wnf h LYS 274 N 1.41 1.18 -0.19 -0.62 3.64 -1.93 -0.82 116.57 119.24 1wnf h LYS 274 Ca -0.51 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1wnf h LYS 274 Cb 1.22 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1wnf h LYS 274 CO 0.63 0.83 0.13 -0.39 -2.27 0.00 0.00 179.45 178.37 1wnf h VAL 275 N 1.20 1.04 -0.18 2.00 -1.51 -1.94 -1.51 116.25 115.33 1wnf h VAL 275 Ca 0.31 -0.08 -0.15 0.00 -1.23 0.00 0.00 66.70 65.55 1wnf h VAL 275 Cb -0.04 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1wnf h VAL 275 CO -0.06 0.04 -0.46 1.23 -1.23 0.00 0.00 177.57 177.10 1wnf h GLY 276 N 0.24 0.70 1.44 5.19 0.00 -1.29 -2.39 103.07 106.96 1wnf h GLY 276 Ca 0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 1wnf h GLY 276 CO -0.01 0.78 0.14 3.21 0.00 0.00 0.00 176.54 180.66 1wnf h ARG 277 N 0.31 0.71 -0.34 4.80 2.47 -0.85 -0.40 114.38 121.08 1wnf h ARG 277 Ca -0.01 -0.12 -0.10 0.00 -1.26 0.00 0.00 59.98 58.49 1wnf h ARG 277 Cb 1.07 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1wnf h ARG 277 CO 0.10 0.63 -0.22 0.82 0.56 0.00 0.00 179.97 181.86 1wnf h ILE 278 N 0.70 1.27 -0.24 2.04 2.04 -1.26 -1.46 117.51 120.60 1wnf h ILE 278 Ca 0.16 -1.29 -0.12 0.00 1.00 0.00 0.00 64.86 64.61 1wnf h ILE 278 Cb 0.22 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1wnf h ILE 278 CO -0.01 0.42 -0.32 0.00 0.00 0.00 0.00 178.15 178.24 1wnf h ALA 279 N 1.18 0.36 -0.62 1.87 0.00 -0.82 -2.09 119.26 119.15 1wnf h ALA 279 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1wnf h ALA 279 Cb 0.69 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1wnf h ALA 279 CO 0.05 0.40 0.33 1.25 0.00 0.00 0.00 179.25 181.29 1wnf h LEU 280 N 0.34 0.75 -0.14 0.00 7.12 -0.96 -1.74 115.31 120.68 1wnf h LEU 280 Ca 0.03 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1wnf h LEU 280 Cb 0.90 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1wnf h LEU 280 CO 0.08 0.61 0.00 -0.33 -0.13 0.00 0.00 178.44 178.67 1wnf h GLU 281 N 0.86 0.00 -0.00 1.25 5.08 -1.19 -3.10 114.58 117.48 1wnf h GLU 281 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1wnf h GLU 281 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wnf h GLU 281 CO -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.87 1wnf n ALA 282 N -2.06 2.70 0.00 3.43 0.00 -0.67 -4.93 120.51 118.97 1wnf n ALA 282 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wnf n ALA 282 Cb 0.50 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1wnf n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnf n GLY 283 N 1.36 1.08 3.76 0.00 0.00 -1.12 -4.50 105.19 105.77 1wnf n GLY 283 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1wnf n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wnf s VAL 284 N -2.00 2.74 -0.25 1.61 -7.23 -1.11 -4.77 120.40 109.39 1wnf s VAL 284 Ca 0.00 0.47 -0.08 0.00 -1.81 0.00 0.00 61.98 60.57 1wnf s VAL 284 Cb 0.00 -3.20 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 1wnf s VAL 284 CO 0.00 -0.09 0.08 -0.63 -0.31 0.00 0.00 175.10 174.15 1wnf s ILE 285 N -1.61 4.41 0.36 -0.62 1.01 -0.30 -4.68 121.20 119.77 1wnf s ILE 285 Ca 0.75 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.99 1wnf s ILE 285 Cb -0.29 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 1wnf s ILE 285 CO 0.33 0.34 1.24 -2.84 0.00 0.00 0.00 174.94 174.01 1wnf s PRO 286 N 1.58 4.20 0.00 2.79 0.02 -1.26 -0.41 135.00 141.92 1wnf s PRO 286 Ca 0.06 2.05 0.22 0.00 0.02 0.00 0.00 61.00 63.35 1wnf s PRO 286 Cb -0.15 -2.89 0.60 0.00 0.02 0.00 0.00 34.50 32.08 1wnf s PRO 286 CO 0.04 -0.26 1.51 0.00 -0.33 0.00 0.00 177.00 177.96 1wnf n ALA 287 N 0.47 2.37 -0.85 -1.55 0.00 -0.93 -4.77 120.51 115.26 1wnf n ALA 287 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1wnf n ALA 287 Cb 0.44 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1wnf n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnf n GLY 288 N 1.59 3.30 0.81 0.00 0.00 -1.26 -2.34 105.19 107.28 1wnf n GLY 288 Ca 0.23 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1wnf n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wnf n ASP 289 N 3.55 3.66 -4.70 1.61 3.85 -1.26 0.06 116.55 123.31 1wnf n ASP 289 Ca 0.00 -2.87 -0.32 0.00 -0.71 0.00 0.00 54.79 50.88 1wnf n ASP 289 Cb 0.00 -0.49 0.13 0.00 -1.35 0.00 0.00 41.12 39.41 1wnf n ASP 289 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1wnf s MET 290 N -2.56 1.53 0.66 0.11 -1.94 -0.99 -4.74 119.30 111.36 1wnf s MET 290 Ca 0.39 1.63 -0.11 0.00 -1.71 0.00 0.00 55.69 55.89 1wnf s MET 290 Cb 0.30 -1.78 -0.01 0.00 2.01 0.00 0.00 34.83 35.35 1wnf s MET 290 CO 0.09 -2.27 1.05 0.95 -0.01 0.00 0.00 175.02 174.83 1wnf s THR 291 N -2.38 4.31 0.23 2.05 -4.23 -1.26 -4.85 115.64 109.51 1wnf s THR 291 Ca 0.70 0.76 -0.08 0.00 -1.18 0.00 0.00 61.69 61.89 1wnf s THR 291 Cb -0.25 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.19 1wnf s THR 291 CO 0.53 -0.97 1.90 0.11 -0.54 0.00 0.00 174.62 175.65 1wnf h LYS 292 N -0.50 1.12 -0.55 3.99 6.56 -1.94 -0.16 116.57 125.10 1wnf h LYS 292 Ca -0.44 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.04 1wnf h LYS 292 Cb 1.20 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 32.58 1wnf h LYS 292 CO 0.59 0.74 0.18 0.93 -2.06 0.00 0.00 179.45 179.84 1wnf h GLU 293 N 1.16 0.85 -0.32 3.15 3.07 -1.92 -0.73 114.58 119.83 1wnf h GLU 293 Ca 0.32 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 1wnf h GLU 293 Cb -0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1wnf h GLU 293 CO -0.07 0.76 -0.27 0.00 -1.40 0.00 0.00 179.01 178.03 1wnf h ALA 294 N 1.04 0.93 -0.44 3.43 0.00 -1.75 -1.66 119.26 120.81 1wnf h ALA 294 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1wnf h ALA 294 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wnf h ALA 294 CO -0.01 0.61 0.17 1.15 0.00 0.00 0.00 179.25 181.18 1wnf h THR 295 N 0.57 1.20 -0.02 0.00 2.02 -0.67 0.17 112.91 116.19 1wnf h THR 295 Ca 0.07 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1wnf h THR 295 Cb 0.75 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1wnf h THR 295 CO 0.06 0.23 -0.01 0.40 0.37 0.00 0.00 175.52 176.57 1wnf h ILE 296 N 0.57 1.36 -0.22 3.11 2.04 -1.07 -2.57 117.51 120.73 1wnf h ILE 296 Ca 0.15 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 64.81 1wnf h ILE 296 Cb 0.20 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1wnf h ILE 296 CO -0.01 0.29 -0.28 0.71 0.00 0.00 0.00 178.15 178.86 1wnf h THR 297 N -0.41 1.27 -0.59 -0.27 1.35 -1.31 -2.42 112.91 110.52 1wnf h THR 297 Ca 0.00 -1.30 -0.08 0.00 -0.55 0.00 0.00 66.41 64.48 1wnf h THR 297 Cb 0.48 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 1wnf h THR 297 CO 0.00 0.41 0.04 0.50 -0.25 0.00 0.00 175.52 176.22 1wnf h LYS 298 N 0.38 1.00 -0.43 4.72 3.64 -0.98 -0.64 116.57 124.27 1wnf h LYS 298 Ca 0.05 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.02 1wnf h LYS 298 Cb 0.69 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1wnf h LYS 298 CO 0.05 0.96 -0.23 1.25 -2.27 0.00 0.00 179.45 179.21 1wnf h LEU 299 N 0.93 0.90 -0.27 5.20 5.85 -1.23 0.07 115.31 126.76 1wnf h LEU 299 Ca 0.18 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1wnf h LEU 299 Cb 0.49 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1wnf h LEU 299 CO 0.02 1.09 0.11 0.24 -0.34 0.00 0.00 178.44 179.56 1wnf h MET 300 N 0.76 0.41 -0.12 1.25 2.86 -1.23 -0.88 114.93 117.98 1wnf h MET 300 Ca 0.10 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1wnf h MET 300 Cb 0.78 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1wnf h MET 300 CO 0.06 0.44 0.04 2.35 1.06 0.00 0.00 176.91 180.87 1wnf h TRP 301 N 0.29 0.08 -0.32 -0.22 7.01 -0.89 -0.42 115.95 121.48 1wnf h TRP 301 Ca 0.09 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.10 1wnf h TRP 301 Cb 0.18 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 1wnf h TRP 301 CO -0.01 0.04 0.20 0.82 -2.79 0.00 0.00 178.44 176.71 1wnf h ILE 302 N 0.11 1.07 0.00 2.65 2.04 -0.88 -1.52 117.51 120.98 1wnf h ILE 302 Ca 0.05 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1wnf h ILE 302 Cb 0.02 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1wnf h ILE 302 CO -0.05 0.08 0.00 0.18 0.00 0.00 0.00 178.15 178.36 1wnf n LEU 303 N -4.88 0.26 0.19 1.44 4.32 -0.34 -2.08 117.00 115.91 1wnf n LEU 303 Ca -0.01 0.62 0.14 0.00 -0.02 0.00 0.00 56.01 56.74 1wnf n LEU 303 Cb 0.03 -0.65 0.56 0.00 -1.62 0.00 0.00 43.42 41.74 1wnf n LEU 303 CO 0.34 -0.69 0.91 1.23 -1.22 0.00 0.00 177.39 177.96 1wnf h GLY 304 N 0.14 0.00 0.00 -0.72 0.00 -0.90 -3.32 103.07 98.27 1wnf h GLY 304 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wnf h GLY 304 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.15 1wnf n HIS 305 N -2.58 0.00 -3.83 5.60 1.44 -0.88 -4.57 115.22 110.40 1wnf n HIS 305 Ca 0.02 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 1wnf n HIS 305 Cb 0.27 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.32 1wnf n HIS 305 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1wnf s THR 306 N -0.28 0.06 0.00 0.61 -1.32 -1.17 -5.03 115.64 108.51 1wnf s THR 306 Ca 0.00 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1wnf s THR 306 Cb 0.00 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 69.39 1wnf s THR 306 CO 0.00 -0.27 0.21 0.29 -2.21 0.00 0.00 174.62 172.64 1wnf n LYS 307 N -0.24 -0.10 -2.19 7.08 4.76 -1.26 -4.35 118.16 121.85 1wnf n LYS 307 Ca -0.10 -0.24 -0.43 0.00 -2.87 0.00 0.00 58.31 54.68 1wnf n LYS 307 Cb 0.63 -0.64 -0.02 0.00 -1.84 0.00 0.00 35.03 33.16 1wnf n LYS 307 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1wnf s ASN 308 N -0.04 6.71 0.16 4.39 2.47 -1.26 -4.89 114.94 122.48 1wnf s ASN 308 Ca 0.00 1.88 -0.22 0.00 0.42 0.00 0.00 52.86 54.94 1wnf s ASN 308 Cb 0.00 -2.53 0.06 0.00 -1.45 0.00 0.00 41.25 37.32 1wnf s ASN 308 CO 0.00 -0.94 1.62 0.40 -3.72 0.00 0.00 177.10 174.46 1wnf h ILE 309 N 5.68 0.33 -0.72 -5.21 1.08 -1.94 -1.91 117.51 114.82 1wnf h ILE 309 Ca -0.33 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1wnf h ILE 309 Cb 1.14 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1wnf h ILE 309 CO 0.97 0.00 0.47 -0.33 -0.69 0.00 0.00 178.15 178.58 1wnf h GLU 310 N -0.22 0.86 -0.22 2.37 4.39 -1.98 -0.36 114.58 119.42 1wnf h GLU 310 Ca 0.17 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1wnf h GLU 310 Cb 0.49 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1wnf h GLU 310 CO -0.47 0.57 -0.11 1.49 -1.16 0.00 0.00 179.01 179.33 1wnf h GLU 311 N 0.89 0.46 -0.44 2.33 4.81 -1.80 -0.94 114.58 119.89 1wnf h GLU 311 Ca 0.28 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1wnf h GLU 311 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1wnf h GLU 311 CO -0.08 0.75 0.04 -0.24 -0.73 0.00 0.00 179.01 178.75 1wnf h VAL 312 N 0.17 1.22 -0.53 0.32 3.04 -1.00 0.12 116.25 119.58 1wnf h VAL 312 Ca 0.05 -0.84 -0.09 0.00 -1.01 0.00 0.00 66.70 64.81 1wnf h VAL 312 Cb 0.61 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 1wnf h VAL 312 CO 0.03 0.30 -0.03 0.50 -1.01 0.00 0.00 177.57 177.36 1wnf h LYS 313 N 0.65 0.93 -0.19 4.17 3.64 -0.94 0.10 116.57 124.94 1wnf h LYS 313 Ca 0.14 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1wnf h LYS 313 Cb 0.34 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1wnf h LYS 313 CO 0.01 0.94 -0.02 1.96 -2.27 0.00 0.00 179.45 180.07 1wnf h GLN 314 N 0.85 0.35 -0.33 1.90 4.20 -0.44 -2.66 115.11 118.98 1wnf h GLN 314 Ca 0.15 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1wnf h GLN 314 Cb 0.55 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1wnf h GLN 314 CO 0.03 0.59 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.47 1wnf h LEU 315 N 0.08 0.78 -1.98 1.46 3.38 -0.90 -2.15 115.31 115.99 1wnf h LEU 315 Ca 0.05 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.72 1wnf h LEU 315 Cb 0.44 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1wnf h LEU 315 CO 0.01 1.06 0.36 0.24 0.09 0.00 0.00 178.44 180.21 1wnf h MET 316 N 0.52 0.02 0.00 1.13 2.86 -0.80 0.13 114.93 118.79 1wnf h MET 316 Ca 0.06 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1wnf h MET 316 Cb 0.80 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1wnf h MET 316 CO 0.06 0.02 -0.53 0.41 1.06 0.00 0.00 176.91 177.93 1wnf n GLY 317 N -1.63 -1.40 3.74 8.32 0.00 -1.00 -4.89 105.19 108.33 1wnf n GLY 317 Ca 0.09 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1wnf n GLY 317 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnf s LYS 318 N -3.12 4.57 -1.14 1.61 1.02 0.44 -4.95 119.74 118.17 1wnf s LYS 318 Ca 0.08 1.21 -0.21 0.00 0.02 0.00 0.00 55.97 57.07 1wnf s LYS 318 Cb 0.14 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.12 1wnf s LYS 318 CO 0.70 0.27 1.68 1.21 -0.92 0.00 0.00 175.35 178.29 1wnf s ASN 319 N -0.08 6.28 0.01 2.83 3.04 -1.26 -4.81 114.94 120.96 1wnf s ASN 319 Ca 0.41 -1.77 -0.25 0.00 0.04 0.00 0.00 52.86 51.29 1wnf s ASN 319 Cb -0.22 -2.58 -0.17 0.00 -1.54 0.00 0.00 41.25 36.75 1wnf s ASN 319 CO 0.26 -1.73 1.31 0.40 -3.04 0.00 0.00 177.10 174.30 1wnf h ILE 320 N 6.30 0.85 -0.59 -5.21 1.08 -1.93 -3.41 117.51 114.59 1wnf h ILE 320 Ca 0.29 -0.62 -0.29 0.00 -0.39 0.00 0.00 64.86 63.85 1wnf h ILE 320 Cb 0.95 1.20 -0.33 0.00 -3.07 0.00 0.00 36.82 35.57 1wnf h ILE 320 CO 1.39 0.13 -0.93 1.07 -0.69 0.00 0.00 178.15 179.12 1wnf n THR 321 N -5.08 0.77 -0.46 -0.27 5.66 -1.26 -4.98 114.28 108.65 1wnf n THR 321 Ca -0.09 -2.54 0.00 0.00 -3.05 0.00 0.00 64.05 58.37 1wnf n THR 321 Cb 0.24 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 69.92 1wnf n THR 321 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wnf n GLY 322 N -0.41 1.01 0.25 1.09 0.00 -1.26 -4.94 105.19 100.93 1wnf n GLY 322 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1wnf n GLY 322 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wnf h GLU 323 N 3.61 0.00 -4.56 1.61 9.09 -1.92 -3.46 114.58 118.94 1wnf h GLU 323 Ca 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.17 1wnf h GLU 323 Cb 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 26.92 1wnf h GLU 323 CO 0.00 0.10 -0.72 -0.48 0.05 0.00 0.00 179.01 177.96 1wnf s LEU 324 N -6.46 2.37 -0.42 3.06 0.05 -1.26 -4.25 118.68 111.77 1wnf s LEU 324 Ca 0.01 -0.76 -0.13 0.00 0.05 0.00 0.00 54.13 53.31 1wnf s LEU 324 Cb 0.09 -0.10 0.05 0.00 -2.05 0.00 0.00 46.19 44.18 1wnf s LEU 324 CO 0.59 -0.33 0.29 -0.89 -0.55 0.00 0.00 176.35 175.45 1wnf s THR 325 N -2.42 4.82 -2.00 5.48 2.01 -1.26 -4.82 115.64 117.45 1wnf s THR 325 Ca -0.01 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1wnf s THR 325 Cb -0.03 -3.79 0.10 0.00 0.01 0.00 0.00 72.50 68.79 1wnf s THR 325 CO -0.02 -0.40 0.68 -2.11 -0.69 0.00 0.00 174.62 172.09