#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opt s PRO 30 N 0.00 4.54 0.19 0.00 0.04 -1.26 -4.97 135.00 133.54 2opt s PRO 30 Ca 0.00 1.56 -0.32 0.00 0.04 0.00 0.00 61.00 62.28 2opt s PRO 30 Cb 0.00 -2.95 -0.12 0.00 0.04 0.00 0.00 34.50 31.47 2opt s PRO 30 CO 0.00 0.19 1.73 -0.11 0.04 0.00 0.00 177.00 178.85 2opt n LEU 31 N 0.77 3.88 -4.11 -3.56 0.00 -1.26 -4.97 117.00 107.75 2opt n LEU 31 Ca 0.01 1.05 -0.09 0.00 0.00 0.00 0.00 56.01 56.98 2opt n LEU 31 Cb 0.48 -1.55 -0.10 0.00 0.00 0.00 0.00 43.42 42.25 2opt n LEU 31 CO 0.49 0.12 -0.37 0.42 0.00 0.00 0.00 177.39 178.04 2opt s THR 32 N 1.42 0.44 0.20 1.96 -4.23 -1.26 -5.04 115.64 109.12 2opt s THR 32 Ca 0.77 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 2opt s THR 32 Cb -0.53 -1.42 0.13 0.00 1.34 0.00 0.00 72.50 72.02 2opt s THR 32 CO 0.34 -0.86 1.72 -0.61 -0.54 0.00 0.00 174.62 174.67 2opt h GLN 33 N 3.29 0.25 -0.22 3.99 4.15 -1.95 -1.46 115.11 123.16 2opt h GLN 33 Ca -0.35 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 58.97 2opt h GLN 33 Cb 1.16 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2opt h GLN 33 CO 0.62 0.17 -0.25 -0.44 -1.93 0.00 0.00 178.83 176.99 2opt h ASP 34 N 0.26 0.41 -0.26 -0.69 3.32 -1.96 -1.08 116.42 116.42 2opt h ASP 34 Ca 0.28 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2opt h ASP 34 Cb 0.38 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2opt h ASP 34 CO -0.35 0.67 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.42 2opt h ARG 35 N 0.37 0.78 -0.43 3.56 2.43 -1.82 -1.73 114.38 117.54 2opt h ARG 35 Ca 0.05 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 2opt h ARG 35 Cb 0.64 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2opt h ARG 35 CO 0.05 0.99 0.20 0.82 -1.51 0.00 0.00 179.97 180.52 2opt h ILE 36 N 0.65 1.18 -0.31 1.20 2.04 -0.64 -2.06 117.51 119.58 2opt h ILE 36 Ca 0.07 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 2opt h ILE 36 Cb 0.87 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2opt h ILE 36 CO 0.08 0.20 -0.12 0.58 0.00 0.00 0.00 178.15 178.89 2opt h VAL 37 N 0.55 1.29 -0.31 1.67 2.07 -1.15 0.49 116.25 120.85 2opt h VAL 37 Ca 0.15 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2opt h VAL 37 Cb 0.14 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2opt h VAL 37 CO -0.02 0.39 0.02 0.58 0.02 0.00 0.00 177.57 178.56 2opt h VAL 38 N 0.38 0.80 -0.48 2.57 2.07 -1.29 0.73 116.25 121.04 2opt h VAL 38 Ca 0.07 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2opt h VAL 38 Cb 0.64 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2opt h VAL 38 CO 0.04 0.02 0.24 0.74 0.02 0.00 0.00 177.57 178.63 2opt h THR 39 N 0.12 1.18 -0.35 2.57 2.02 -1.18 -1.16 112.91 116.12 2opt h THR 39 Ca 0.15 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.86 2opt h THR 39 Cb 0.19 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2opt h THR 39 CO -0.23 0.20 0.13 0.00 0.37 0.00 0.00 175.52 175.99 2opt h ALA 40 N 1.08 0.41 -0.76 6.16 0.00 -0.68 -2.26 119.26 123.21 2opt h ALA 40 Ca 0.16 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2opt h ALA 40 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2opt h ALA 40 CO -0.02 -0.26 0.32 1.25 0.00 0.00 0.00 179.25 180.53 2opt h LEU 41 N 0.28 1.04 -0.90 0.00 5.85 -0.74 -2.01 115.31 118.84 2opt h LEU 41 Ca 0.16 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2opt h LEU 41 Cb 0.12 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2opt h LEU 41 CO -0.15 0.92 0.58 1.23 -0.34 0.00 0.00 178.44 180.68 2opt h GLY 42 N 1.09 1.31 0.92 3.75 0.00 -0.96 0.17 103.07 109.35 2opt h GLY 42 Ca 0.25 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2opt h GLY 42 CO -0.02 0.37 -0.04 -2.22 0.00 0.00 0.00 176.54 174.63 2opt h ILE 43 N 1.12 0.97 -0.59 2.60 2.04 -1.23 -2.39 117.51 120.03 2opt h ILE 43 Ca 0.36 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 66.14 2opt h ILE 43 Cb 0.02 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 2opt h ILE 43 CO -0.12 0.05 0.15 0.25 0.00 0.00 0.00 178.15 178.47 2opt h LEU 44 N -0.20 0.05 -0.50 1.44 7.12 -1.15 0.28 115.31 122.34 2opt h LEU 44 Ca -0.01 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 2opt h LEU 44 Cb 0.17 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 2opt h LEU 44 CO 0.02 0.03 0.24 0.44 -0.13 0.00 0.00 178.44 179.04 2opt h ASP 45 N 0.29 0.66 0.76 1.25 3.32 -0.95 0.70 116.42 122.45 2opt h ASP 45 Ca 0.31 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2opt h ASP 45 Cb 0.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2opt h ASP 45 CO -0.38 0.61 -0.85 0.00 -1.72 0.00 0.00 179.24 176.90 2opt n ALA 46 N -2.31 2.96 0.00 3.45 0.00 -0.90 -4.59 120.51 119.12 2opt n ALA 46 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2opt n ALA 46 Cb 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2opt n ALA 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2opt n GLU 47 N -2.21 1.10 0.00 0.00 1.02 0.95 -5.08 120.64 116.43 2opt n GLU 47 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2opt n GLU 47 Cb 0.47 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2opt n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2opt n GLY 48 N 0.12 0.35 0.33 0.62 0.00 0.23 -4.40 105.19 102.43 2opt n GLY 48 Ca 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 2opt n GLY 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2opt h LEU 49 N 0.00 1.04 -1.88 0.99 5.85 -1.83 -2.91 115.31 116.57 2opt h LEU 49 Ca 0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2opt h LEU 49 Cb 0.00 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 2opt h LEU 49 CO 0.00 0.88 -0.05 0.44 -0.34 0.00 0.00 178.44 179.37 2opt h ASP 50 N 1.13 0.01 1.45 1.25 3.32 -1.98 -1.24 116.42 120.36 2opt h ASP 50 Ca 0.28 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2opt h ASP 50 Cb 0.11 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2opt h ASP 50 CO -0.04 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 2opt h ALA 51 N 1.94 1.00 -1.23 3.45 0.00 -1.72 -3.39 119.26 119.32 2opt h ALA 51 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 2opt h ALA 51 Cb 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 2opt h ALA 51 CO 0.01 0.00 1.83 -0.11 0.00 0.00 0.00 179.25 180.97 2opt n LEU 52 N -2.76 5.20 -4.95 0.00 7.94 -0.47 -4.85 117.00 117.12 2opt n LEU 52 Ca 0.03 -4.21 -0.24 0.00 -1.11 0.00 0.00 56.01 50.48 2opt n LEU 52 Cb 0.41 -1.67 -0.02 0.00 0.53 0.00 0.00 43.42 42.67 2opt n LEU 52 CO 0.29 0.51 0.11 -0.94 -1.11 0.00 0.00 177.39 176.25 2opt s SER 53 N 3.39 6.31 0.37 1.96 1.04 -1.26 -5.00 113.70 120.51 2opt s SER 53 Ca 0.48 0.36 0.10 0.00 0.48 0.00 0.00 55.95 57.37 2opt s SER 53 Cb 0.01 -1.99 0.71 0.00 0.10 0.00 0.00 66.02 64.85 2opt s SER 53 CO 0.03 -0.21 1.86 0.24 0.98 0.00 0.00 173.24 176.14 2opt h MET 54 N 1.01 0.18 -0.23 4.02 0.00 -1.98 0.22 114.93 118.15 2opt h MET 54 Ca -0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 59.70 59.12 2opt h MET 54 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 31.60 32.79 2opt h MET 54 CO 0.62 0.42 0.05 -0.09 0.00 0.00 0.00 176.91 177.91 2opt h ARG 55 N 0.17 0.38 0.14 1.72 2.43 -1.98 0.14 114.38 117.38 2opt h ARG 55 Ca 0.03 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2opt h ARG 55 Cb 0.52 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2opt h ARG 55 CO 0.04 0.49 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.83 2opt h ARG 56 N 0.19 -0.18 -0.26 0.20 9.65 -1.80 -1.51 114.38 120.67 2opt h ARG 56 Ca 0.07 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 2opt h ARG 56 Cb 0.29 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.84 2opt h ARG 56 CO 0.00 -0.12 -0.50 1.25 2.80 0.00 0.00 179.97 183.40 2opt h LEU 57 N -0.19 -1.61 -1.00 3.80 5.85 -0.90 0.72 115.31 121.97 2opt h LEU 57 Ca -0.02 0.21 0.09 0.00 0.84 0.00 0.00 57.88 59.00 2opt h LEU 57 Cb 0.15 0.66 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 2opt h LEU 57 CO 0.03 -0.43 0.64 0.00 -0.34 0.00 0.00 178.44 178.34 2opt h ALA 58 N 0.01 1.45 -0.30 1.25 0.00 -0.85 -1.31 119.26 119.50 2opt h ALA 58 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2opt h ALA 58 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2opt h ALA 58 CO -0.50 0.34 0.01 0.37 0.00 0.00 0.00 179.25 179.47 2opt h GLN 59 N 1.09 0.53 -0.86 0.00 4.15 -0.84 -1.49 115.11 117.69 2opt h GLN 59 Ca 0.46 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 2opt h GLN 59 Cb 0.31 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2opt h GLN 59 CO -0.22 0.66 0.46 0.93 -1.93 0.00 0.00 178.83 178.73 2opt h GLU 60 N 0.33 1.20 0.00 1.69 4.39 -0.16 -2.73 114.58 119.30 2opt h GLU 60 Ca 0.09 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2opt h GLU 60 Cb 0.41 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2opt h GLU 60 CO 0.01 0.89 0.00 1.28 -1.16 0.00 0.00 179.01 180.03 2opt n LEU 61 N -4.33 0.07 -3.58 1.33 4.77 -0.56 -4.91 117.00 109.78 2opt n LEU 61 Ca 0.09 0.51 -0.22 0.00 -0.03 0.00 0.00 56.01 56.35 2opt n LEU 61 Cb 0.11 -0.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.78 2opt n LEU 61 CO 0.39 -0.03 0.18 0.29 -1.33 0.00 0.00 177.39 176.89 2opt n LYS 62 N -1.56 -7.23 -4.51 3.23 4.01 -0.71 -5.02 118.16 106.37 2opt n LYS 62 Ca 0.07 0.80 -0.24 0.00 -0.51 0.00 0.00 58.31 58.43 2opt n LYS 62 Cb 0.33 -5.81 -0.09 0.00 -0.51 0.00 0.00 35.03 28.95 2opt n LYS 62 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2opt s THR 63 N -3.35 1.03 0.40 -0.18 -1.32 -0.64 -5.05 115.64 106.52 2opt s THR 63 Ca 0.40 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.90 2opt s THR 63 Cb -0.18 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.22 2opt s THR 63 CO 0.74 0.00 0.58 -0.83 -2.21 0.00 0.00 174.62 172.91 2opt s GLY 64 N -3.58 1.56 0.40 6.08 0.00 -1.26 -4.54 107.32 105.97 2opt s GLY 64 Ca 0.29 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.88 2opt s GLY 64 CO 0.14 -1.07 2.03 1.12 0.00 0.00 0.00 173.10 175.32 2opt h HIS 65 N 0.61 0.50 -0.19 1.90 2.07 -1.96 -2.44 115.15 115.64 2opt h HIS 65 Ca -0.46 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.98 2opt h HIS 65 Cb 1.25 -0.16 -0.00 0.00 2.57 0.00 0.00 27.41 31.07 2opt h HIS 65 CO 0.44 0.35 -0.20 0.00 -3.07 0.00 0.00 177.93 175.46 2opt h ALA 66 N 1.71 0.28 -0.24 6.11 0.00 -1.99 -1.33 119.26 123.80 2opt h ALA 66 Ca 0.14 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2opt h ALA 66 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2opt h ALA 66 CO -0.02 0.21 0.12 0.77 0.00 0.00 0.00 179.25 180.32 2opt h SER 67 N 0.13 0.17 0.04 0.00 0.02 -1.91 -1.11 113.55 110.89 2opt h SER 67 Ca 0.03 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2opt h SER 67 Cb 0.74 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2opt h SER 67 CO 0.05 0.13 -0.52 0.25 -1.14 0.00 0.00 176.83 175.60 2opt h LEU 68 N 0.25 -1.60 -0.83 5.07 5.85 -1.40 -2.29 115.31 120.37 2opt h LEU 68 Ca 0.10 0.18 0.10 0.00 0.84 0.00 0.00 57.88 59.09 2opt h LEU 68 Cb 0.03 0.60 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 2opt h LEU 68 CO -0.07 -0.53 0.47 0.22 -0.34 0.00 0.00 178.44 178.19 2opt h TYR 69 N -0.69 0.86 -0.97 1.25 3.20 -1.10 -1.46 116.97 118.05 2opt h TYR 69 Ca 0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2opt h TYR 69 Cb 0.73 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 2opt h TYR 69 CO -0.49 0.34 0.64 0.00 -1.64 0.00 0.00 178.16 177.02 2opt h ALA 70 N 1.46 1.33 0.21 1.82 0.00 -0.79 0.34 119.26 123.63 2opt h ALA 70 Ca 0.40 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 2opt h ALA 70 Cb 0.37 -0.38 0.03 0.00 0.00 0.00 0.00 17.79 17.82 2opt h ALA 70 CO -0.25 0.61 -1.24 0.45 0.00 0.00 0.00 179.25 178.81 2opt h HIS 71 N 1.29 0.80 0.00 0.00 3.86 -0.88 -3.41 115.15 116.81 2opt h HIS 71 Ca 0.37 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2opt h HIS 71 Cb -0.10 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2opt h HIS 71 CO -0.00 1.48 -0.11 1.33 0.86 0.00 0.00 177.93 181.48 2opt n VAL 72 N -3.88 0.00 -3.33 2.45 0.24 -0.60 -4.75 118.33 108.47 2opt n VAL 72 Ca -0.16 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2opt n VAL 72 Cb 0.99 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 34.30 2opt n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2opt n GLY 73 N 1.11 -0.54 3.13 7.63 0.00 0.12 -3.54 105.19 113.11 2opt n GLY 73 Ca 0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2opt n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2opt n ASN 74 N 0.70 -0.04 -0.25 1.61 2.04 -1.26 -4.36 115.26 113.69 2opt n ASN 74 Ca 0.00 -1.37 -0.05 0.00 -0.44 0.00 0.00 54.58 52.72 2opt n ASN 74 Cb 0.00 -0.83 0.05 0.00 -2.53 0.00 0.00 39.78 36.47 2opt n ASN 74 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2opt h ARG 75 N 0.00 0.93 -0.50 -3.83 2.43 -1.99 -1.27 114.38 110.16 2opt h ARG 75 Ca -0.35 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 2opt h ARG 75 Cb 0.97 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2opt h ARG 75 CO 0.25 0.63 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.89 2opt h ASP 76 N 0.96 0.80 -0.56 -3.80 3.32 -1.95 -1.22 116.42 113.97 2opt h ASP 76 Ca 0.26 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2opt h ASP 76 Cb -0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 2opt h ASP 76 CO -0.05 0.87 0.18 -0.33 -1.72 0.00 0.00 179.24 178.18 2opt h GLU 77 N 0.77 0.87 -0.68 3.56 5.08 -1.75 -1.88 114.58 120.56 2opt h GLU 77 Ca 0.15 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2opt h GLU 77 Cb 0.48 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2opt h GLU 77 CO 0.02 0.79 0.23 1.25 -1.00 0.00 0.00 179.01 180.30 2opt h LEU 78 N 0.78 0.95 -1.02 1.33 5.85 -0.91 -2.74 115.31 119.55 2opt h LEU 78 Ca 0.18 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2opt h LEU 78 Cb 0.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2opt h LEU 78 CO -0.01 0.88 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.49 2opt h LEU 79 N 0.99 0.17 -0.78 2.25 3.38 -0.91 -0.44 115.31 119.97 2opt h LEU 79 Ca 0.22 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2opt h LEU 79 Cb 0.26 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2opt h LEU 79 CO -0.01 0.56 0.50 0.44 0.09 0.00 0.00 178.44 180.02 2opt h ASP 80 N 0.14 0.82 -0.48 -0.43 3.32 -1.07 -0.07 116.42 118.64 2opt h ASP 80 Ca 0.01 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2opt h ASP 80 Cb 0.79 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2opt h ASP 80 CO 0.06 0.56 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.07 2opt h LEU 81 N 0.96 0.84 -0.54 1.55 3.38 -1.07 -2.03 115.31 118.40 2opt h LEU 81 Ca 0.31 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2opt h LEU 81 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2opt h LEU 81 CO -0.12 0.94 0.02 0.58 0.09 0.00 0.00 178.44 179.96 2opt h VAL 82 N 0.71 1.26 -0.63 1.22 2.07 -0.91 -1.22 116.25 118.75 2opt h VAL 82 Ca 0.14 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.65 2opt h VAL 82 Cb 0.52 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2opt h VAL 82 CO 0.03 0.38 0.33 0.15 0.02 0.00 0.00 177.57 178.48 2opt h PHE 83 N 0.81 0.60 -0.03 1.57 3.57 -0.96 -2.68 116.94 119.83 2opt h PHE 83 Ca 0.16 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 2opt h PHE 83 Cb 0.50 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2opt h PHE 83 CO 0.04 0.27 -0.52 0.22 -2.23 0.00 0.00 178.31 176.09 2opt h ASP 84 N 0.61 0.09 0.34 0.41 3.58 -0.94 -3.00 116.42 117.51 2opt h ASP 84 Ca 0.29 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 2opt h ASP 84 Cb 0.21 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2opt h ASP 84 CO -0.20 0.60 -0.48 -0.29 -2.88 0.00 0.00 179.24 175.99 2opt h ILE 85 N 0.06 1.34 0.00 2.25 6.09 -0.89 -2.62 117.51 123.74 2opt h ILE 85 Ca -0.00 -1.67 0.00 0.00 -1.37 0.00 0.00 64.86 61.82 2opt h ILE 85 Cb 0.95 1.82 0.00 0.00 0.47 0.00 0.00 36.82 40.05 2opt h ILE 85 CO 0.07 0.49 -0.06 -0.37 -3.07 0.00 0.00 178.15 175.21 2opt h VAL 86 N 0.14 0.00 0.00 2.19 -1.51 -1.41 -3.30 116.25 112.35 2opt h VAL 86 Ca 0.01 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2opt h VAL 86 Cb 0.89 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2opt h VAL 86 CO 0.07 0.00 0.02 -0.07 -1.23 0.00 0.00 177.57 176.36 2opt h LEU 87 N 0.00 0.00 -1.85 4.19 3.38 -1.38 -1.41 115.31 118.24 2opt h LEU 87 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2opt h LEU 87 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2opt h LEU 87 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 2opt h THR 88 N 0.00 0.00 0.00 0.22 1.35 -1.74 -2.08 112.91 110.66 2opt h THR 88 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2opt h THR 88 Cb 0.05 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2opt h THR 88 CO 0.00 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 174.94 2opt h GLU 89 N 0.00 0.00 -5.68 4.72 5.08 -1.54 -3.43 114.58 113.73 2opt h GLU 89 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2opt h GLU 89 Cb 0.20 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 2opt h GLU 89 CO 0.00 0.00 0.33 0.08 -1.00 0.00 0.00 179.01 178.42 2opt s VAL 90 N -3.56 4.87 -0.26 3.13 1.01 -0.78 -4.90 120.40 119.90 2opt s VAL 90 Ca 0.02 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.12 2opt s VAL 90 Cb 0.09 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2opt s VAL 90 CO 0.54 -0.13 0.17 -1.61 0.00 0.00 0.00 175.10 174.07 2opt s GLU 91 N 2.78 4.02 -0.30 2.72 2.02 -1.26 -5.04 118.70 123.64 2opt s GLU 91 Ca 0.31 -0.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.91 2opt s GLU 91 Cb -0.15 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 2opt s GLU 91 CO 0.10 -0.04 0.14 0.08 0.02 0.00 0.00 175.26 175.56 2opt s VAL 92 N 1.36 4.54 0.70 2.63 1.01 -1.26 -4.39 120.40 124.99 2opt s VAL 92 Ca 0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 2opt s VAL 92 Cb -0.15 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2opt s VAL 92 CO 0.07 0.11 1.12 -2.16 0.00 0.00 0.00 175.10 174.24 2opt s PRO 93 N 1.61 2.57 0.13 2.72 0.04 -1.26 -4.98 135.00 135.82 2opt s PRO 93 Ca 0.05 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 2opt s PRO 93 Cb -0.17 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2opt s PRO 93 CO 0.06 -1.43 1.42 -2.00 0.04 0.00 0.00 177.00 175.08 2opt s GLU 94 N -4.26 4.30 0.29 4.56 2.56 -1.26 -4.86 118.70 120.03 2opt s GLU 94 Ca 0.66 2.13 -0.30 0.00 0.00 0.00 0.00 54.97 57.46 2opt s GLU 94 Cb -0.21 -3.22 -0.12 0.00 2.00 0.00 0.00 34.13 32.58 2opt s GLU 94 CO 0.45 -0.46 1.54 -2.30 -0.56 0.00 0.00 175.26 173.94 2opt n PRO 95 N 3.84 2.53 -5.06 4.30 -0.02 -1.26 -5.02 135.00 134.32 2opt n PRO 95 Ca 0.11 0.90 -0.29 0.00 -2.02 0.00 0.00 63.50 62.21 2opt n PRO 95 Cb 0.42 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.09 2opt n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2opt s GLU 96 N -0.59 1.82 0.23 -0.52 2.02 -1.26 -5.11 118.70 115.29 2opt s GLU 96 Ca 0.64 -0.90 -0.31 0.00 0.02 0.00 0.00 54.97 54.42 2opt s GLU 96 Cb -0.53 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 31.74 2opt s GLU 96 CO 0.50 0.49 1.39 -2.30 0.02 0.00 0.00 175.26 175.36 2opt n PRO 97 N 2.29 1.95 -1.00 0.39 -0.02 -1.26 -2.37 135.00 134.99 2opt n PRO 97 Ca -0.16 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2opt n PRO 97 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2opt n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opt n GLY 98 N 2.18 0.32 0.13 -1.23 0.00 -1.26 -4.84 105.19 100.49 2opt n GLY 98 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2opt n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2opt n ARG 99 N -1.52 1.18 -0.14 1.61 1.74 -1.00 -4.90 116.66 113.64 2opt n ARG 99 Ca 0.00 -2.48 -0.06 0.00 -0.77 0.00 0.00 57.85 54.54 2opt n ARG 99 Cb 0.18 -1.42 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 2opt n ARG 99 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2opt h TRP 100 N 0.05 0.40 -0.28 -1.55 7.01 -1.89 -1.11 115.95 118.58 2opt h TRP 100 Ca -0.00 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 2opt h TRP 100 Cb 1.04 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2opt h TRP 100 CO 0.04 0.21 -0.00 0.00 -2.79 0.00 0.00 178.44 175.90 2opt h ALA 101 N 1.23 0.38 -0.99 2.65 0.00 -1.97 -0.83 119.26 119.73 2opt h ALA 101 Ca 0.19 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2opt h ALA 101 Cb 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2opt h ALA 101 CO -0.13 0.12 0.65 1.05 0.00 0.00 0.00 179.25 180.94 2opt h GLU 102 N 0.28 1.30 -0.30 0.00 9.09 -1.87 -0.87 114.58 122.21 2opt h GLU 102 Ca 0.08 -0.08 -0.17 0.00 0.05 0.00 0.00 59.36 59.23 2opt h GLU 102 Cb 0.43 -0.29 -0.00 0.00 -1.65 0.00 0.00 28.75 27.23 2opt h GLU 102 CO 0.01 0.87 -0.50 1.96 0.05 0.00 0.00 179.01 181.40 2opt h GLN 103 N 1.34 0.85 -0.63 1.06 4.20 -0.93 -0.19 115.11 120.81 2opt h GLN 103 Ca 0.36 -0.51 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2opt h GLN 103 Cb -0.14 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2opt h GLN 103 CO -0.08 1.14 0.27 0.28 -0.67 0.00 0.00 178.83 179.77 2opt h VAL 104 N 0.66 1.23 -0.67 -0.54 2.07 -0.95 -2.12 116.25 115.94 2opt h VAL 104 Ca 0.03 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.90 2opt h VAL 104 Cb 1.09 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2opt h VAL 104 CO 0.11 0.28 0.38 0.11 0.02 0.00 0.00 177.57 178.47 2opt h LYS 105 N 0.88 0.69 -0.81 1.57 1.57 -0.95 -1.69 116.57 117.83 2opt h LYS 105 Ca 0.21 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2opt h LYS 105 Cb 0.18 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2opt h LYS 105 CO -0.02 0.46 0.50 0.93 -0.57 0.00 0.00 179.45 180.75 2opt h GLU 106 N 0.71 0.90 0.18 3.15 5.08 -0.69 0.14 114.58 124.06 2opt h GLU 106 Ca 0.29 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2opt h GLU 106 Cb 0.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2opt h GLU 106 CO -0.17 0.59 -0.09 1.98 -1.00 0.00 0.00 179.01 180.33 2opt h MET 107 N 0.92 -0.24 -0.82 2.33 4.05 -1.08 -0.06 114.93 120.03 2opt h MET 107 Ca 0.35 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.84 2opt h MET 107 Cb 0.14 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 2opt h MET 107 CO -0.16 -0.06 0.50 0.00 0.23 0.00 0.00 176.91 177.42 2opt h ARG 109 N 0.92 0.60 -0.65 0.00 3.08 -0.51 -1.33 114.38 116.49 2opt h ARG 109 Ca 0.36 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 2opt h ARG 109 Cb 0.16 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2opt h ARG 109 CO -0.17 0.65 0.16 1.03 -1.07 0.00 0.00 179.97 180.57 2opt h SER 110 N 0.56 0.96 -0.18 7.04 0.87 -0.58 -0.52 113.55 121.71 2opt h SER 110 Ca 0.11 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2opt h SER 110 Cb 0.41 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2opt h SER 110 CO 0.02 0.93 0.02 0.25 -0.53 0.00 0.00 176.83 177.51 2opt h LEU 111 N 0.98 0.30 -0.51 2.23 6.46 -1.10 -2.26 115.31 121.41 2opt h LEU 111 Ca 0.21 -0.28 0.10 0.00 -0.12 0.00 0.00 57.88 57.79 2opt h LEU 111 Cb 0.34 -0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.10 2opt h LEU 111 CO -0.00 0.51 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.16 2opt h ARG 112 N 0.08 0.04 -0.13 1.25 2.43 -1.05 -1.71 114.38 115.29 2opt h ARG 112 Ca 0.05 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2opt h ARG 112 Cb 0.34 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2opt h ARG 112 CO 0.01 0.03 0.05 0.00 -1.51 0.00 0.00 179.97 178.54 2opt h ARG 113 N 0.04 0.17 -0.01 0.20 3.08 -0.87 -1.13 114.38 115.86 2opt h ARG 113 Ca 0.25 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2opt h ARG 113 Cb 0.38 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2opt h ARG 113 CO -0.49 0.15 0.00 1.98 -1.07 0.00 0.00 179.97 180.54 2opt h MET 114 N 0.18 0.02 -0.83 0.04 4.05 -0.73 -2.00 114.93 115.66 2opt h MET 114 Ca 0.05 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2opt h MET 114 Cb 0.04 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 2opt h MET 114 CO -0.01 0.32 0.54 0.74 0.23 0.00 0.00 176.91 178.74 2opt h PHE 115 N -0.28 1.02 0.00 1.39 0.04 -1.12 -2.60 116.94 115.40 2opt h PHE 115 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2opt h PHE 115 Cb 0.31 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 2opt h PHE 115 CO 0.03 0.61 -0.00 -0.07 -0.60 0.00 0.00 178.31 178.28 2opt h LEU 116 N 1.08 0.00 -0.15 1.54 3.38 -0.99 -2.81 115.31 117.36 2opt h LEU 116 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2opt h LEU 116 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2opt h LEU 116 CO -0.09 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 178.00 2opt n ALA 117 N -2.09 3.43 -3.79 1.53 0.00 -0.77 -4.72 120.51 114.10 2opt n ALA 117 Ca 0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 2opt n ALA 117 Cb 0.31 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 2opt n ALA 117 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2opt s HIS 118 N -2.85 2.07 0.32 0.00 3.76 -1.06 -5.05 115.29 112.48 2opt s HIS 118 Ca 0.15 -1.94 -0.29 0.00 -0.15 0.00 0.00 55.06 52.83 2opt s HIS 118 Cb 0.18 -1.91 -0.13 0.00 1.11 0.00 0.00 32.58 31.84 2opt s HIS 118 CO 0.65 -0.88 1.30 2.89 -0.85 0.00 0.00 174.74 177.85 2opt n ARG 119 N 4.74 2.09 -0.73 1.40 1.85 -1.26 -1.73 116.66 123.03 2opt n ARG 119 Ca -0.01 0.73 0.00 0.00 -1.00 0.00 0.00 57.85 57.57 2opt n ARG 119 Cb 0.42 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 2opt n ARG 119 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2opt n ASP 120 N 1.07 -0.19 0.03 2.89 8.00 -1.26 -4.66 116.55 122.43 2opt n ASP 120 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2opt n ASP 120 Cb 0.35 -1.46 0.31 0.00 -0.02 0.00 0.00 41.12 40.30 2opt n ASP 120 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2opt h LEU 121 N 0.00 0.41 -1.82 0.64 5.85 -1.61 -1.50 115.31 117.28 2opt h LEU 121 Ca 0.00 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2opt h LEU 121 Cb 0.02 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2opt h LEU 121 CO 0.00 0.54 -0.15 0.00 -0.34 0.00 0.00 178.44 178.50 2opt h ALA 122 N 1.51 1.42 -0.64 1.25 0.00 -1.86 -1.54 119.26 119.40 2opt h ALA 122 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2opt h ALA 122 Cb 0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2opt h ALA 122 CO 0.02 0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.76 2opt h ARG 123 N 0.00 0.92 -0.40 0.00 3.08 -1.65 0.40 114.38 116.73 2opt h ARG 123 Ca -0.00 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 2opt h ARG 123 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2opt h ARG 123 CO 0.02 0.74 0.00 0.82 -1.07 0.00 0.00 179.97 180.48 2opt h ILE 124 N 0.88 1.26 -0.01 2.04 2.04 -1.21 -3.31 117.51 119.21 2opt h ILE 124 Ca 0.22 -1.00 -0.22 0.00 1.00 0.00 0.00 64.86 64.86 2opt h ILE 124 Cb 0.12 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2opt h ILE 124 CO -0.03 0.34 -0.92 0.00 0.00 0.00 0.00 178.15 177.54 2opt h ALA 125 N 0.89 0.40 0.00 1.87 0.00 -1.10 -3.30 119.26 118.01 2opt h ALA 125 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2opt h ALA 125 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2opt h ALA 125 CO 0.02 0.82 0.05 1.51 0.00 0.00 0.00 179.25 181.65 2opt n ILE 126 N -3.75 0.80 -0.01 0.00 0.13 0.11 -0.77 119.36 115.88 2opt n ILE 126 Ca -0.06 0.25 -0.01 0.00 -1.10 0.00 0.00 62.75 61.83 2opt n ILE 126 Cb 0.82 -1.25 -0.01 0.00 -0.84 0.00 0.00 39.64 38.35 2opt n ILE 126 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2opt n ASP 127 N -1.15 4.58 -4.69 9.51 2.03 -1.24 -5.06 116.55 120.53 2opt n ASP 127 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2opt n ASP 127 Cb 0.05 0.57 -0.07 0.00 -0.72 0.00 0.00 41.12 40.95 2opt n ASP 127 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2opt s ARG 128 N -2.05 2.30 -0.25 -0.67 0.52 0.05 -5.12 118.95 113.73 2opt s ARG 128 Ca -0.01 -1.54 -0.09 0.00 -0.52 0.00 0.00 55.73 53.57 2opt s ARG 128 Cb 0.01 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 2opt s ARG 128 CO 0.07 0.19 0.11 0.08 0.02 0.00 0.00 175.30 175.78 2opt s VAL 129 N -2.41 4.75 -0.60 3.52 1.01 -1.26 -5.00 120.40 120.41 2opt s VAL 129 Ca 0.35 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2opt s VAL 129 Cb -0.03 -3.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 2opt s VAL 129 CO 0.21 0.32 1.81 -2.65 0.00 0.00 0.00 175.10 174.80 2opt n PRO 130 N 4.77 1.27 -1.32 2.72 -0.02 -1.26 -4.56 135.00 136.60 2opt n PRO 130 Ca -0.15 -1.43 -0.05 0.00 -2.02 0.00 0.00 63.50 59.84 2opt n PRO 130 Cb 0.52 -2.60 0.12 0.00 -0.02 0.00 0.00 33.50 31.51 2opt n PRO 130 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2opt n LEU 131 N 6.40 3.32 0.00 2.45 4.77 -1.26 -3.82 117.00 128.86 2opt n LEU 131 Ca 0.41 -4.01 -0.22 0.00 -0.03 0.00 0.00 56.01 52.16 2opt n LEU 131 Cb 0.27 -0.36 0.16 0.00 -2.33 0.00 0.00 43.42 41.16 2opt n LEU 131 CO 0.89 1.57 0.64 0.61 -1.33 0.00 0.00 177.39 179.77 2opt n GLY 132 N -0.81 -1.61 0.21 -0.72 0.00 -1.26 -4.67 105.19 96.32 2opt n GLY 132 Ca 0.26 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 2opt n GLY 132 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2opt h PRO 133 N 0.00 -0.22 -0.48 1.61 0.11 -1.94 0.82 132.00 131.90 2opt h PRO 133 Ca -0.32 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 2opt h PRO 133 Cb 0.91 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2opt h PRO 133 CO 0.23 -0.15 -0.05 -0.91 -0.21 0.00 0.00 178.00 176.91 2opt h ASN 134 N -0.23 0.81 -0.68 -2.05 2.35 -1.94 -2.19 115.58 111.64 2opt h ASN 134 Ca 0.08 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2opt h ASN 134 Cb 0.34 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2opt h ASN 134 CO -0.21 0.90 0.39 1.23 -1.65 0.00 0.00 177.43 178.09 2opt h GLY 135 N 0.98 1.00 0.88 2.83 0.00 -1.62 -0.88 103.07 106.26 2opt h GLY 135 Ca 0.14 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2opt h GLY 135 CO 0.03 0.42 -0.02 -0.33 0.00 0.00 0.00 176.54 176.64 2opt h MET 136 N 0.93 -0.01 -0.68 4.80 2.86 -0.47 0.20 114.93 122.56 2opt h MET 136 Ca 0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 2opt h MET 136 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2opt h MET 136 CO -0.04 -0.01 0.37 0.28 1.06 0.00 0.00 176.91 178.57 2opt h VAL 137 N -0.01 1.21 -0.41 -2.22 2.07 -1.33 -1.20 116.25 114.37 2opt h VAL 137 Ca 0.03 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 2opt h VAL 137 Cb 0.06 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2opt h VAL 137 CO -0.06 0.23 -0.35 1.23 0.02 0.00 0.00 177.57 178.64 2opt h GLY 138 N 0.93 1.03 1.02 2.17 0.00 -0.94 -2.51 103.07 104.77 2opt h GLY 138 Ca 0.24 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 2opt h GLY 138 CO -0.04 0.92 0.43 1.98 0.00 0.00 0.00 176.54 179.84 2opt h MET 139 N 0.78 1.15 -0.32 4.80 -1.53 -0.31 0.11 114.93 119.60 2opt h MET 139 Ca 0.07 -0.15 0.03 0.00 -3.44 0.00 0.00 59.70 56.22 2opt h MET 139 Cb 0.94 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.74 2opt h MET 139 CO 0.09 0.86 0.12 1.49 0.14 0.00 0.00 176.91 179.61 2opt h GLU 140 N 1.14 0.26 -0.33 0.39 4.57 -1.02 0.22 114.58 119.81 2opt h GLU 140 Ca 0.29 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.33 2opt h GLU 140 Cb 0.06 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2opt h GLU 140 CO -0.04 0.17 -0.28 0.00 -1.18 0.00 0.00 179.01 177.68 2opt h ARG 141 N 0.27 0.68 -0.36 1.92 3.08 -1.19 -1.07 114.38 117.71 2opt h ARG 141 Ca 0.14 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2opt h ARG 141 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2opt h ARG 141 CO -0.14 0.89 0.13 1.15 -1.07 0.00 0.00 179.97 180.92 2opt h THR 142 N 0.59 1.20 -0.18 2.04 2.02 -0.46 -1.54 112.91 116.58 2opt h THR 142 Ca 0.07 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.47 2opt h THR 142 Cb 0.78 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2opt h THR 142 CO 0.06 0.23 -0.45 0.24 0.37 0.00 0.00 175.52 175.97 2opt h MET 143 N 0.44 0.45 0.01 6.66 2.86 -0.37 -1.07 114.93 123.91 2opt h MET 143 Ca 0.12 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2opt h MET 143 Cb 0.23 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 2opt h MET 143 CO -0.01 0.81 -0.19 -0.97 1.06 0.00 0.00 176.91 177.61 2opt h ASN 144 N 0.36 -0.56 -0.22 1.22 -1.24 -1.07 -0.57 115.58 113.50 2opt h ASN 144 Ca 0.03 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 2opt h ASN 144 Cb 0.93 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 2opt h ASN 144 CO 0.08 -0.26 0.12 0.25 -1.29 0.00 0.00 177.43 176.33 2opt h LEU 145 N -0.31 0.27 -0.36 0.34 5.85 -0.97 -1.91 115.31 118.22 2opt h LEU 145 Ca 0.05 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2opt h LEU 145 Cb 0.38 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2opt h LEU 145 CO -0.17 0.27 0.18 -0.07 -0.34 0.00 0.00 178.44 178.31 2opt h LEU 146 N 0.24 0.47 -1.53 2.25 3.38 -1.13 -2.46 115.31 116.53 2opt h LEU 146 Ca 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2opt h LEU 146 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2opt h LEU 146 CO -0.01 0.46 -0.13 0.03 0.09 0.00 0.00 178.44 178.87 2opt h ARG 147 N 0.44 0.14 0.00 1.13 3.08 -1.07 -2.75 114.38 115.36 2opt h ARG 147 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2opt h ARG 147 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2opt h ARG 147 CO -0.02 0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 178.03 2opt n SER 148 N -4.31 0.63 -0.51 7.04 3.41 -0.72 -0.74 113.62 118.42 2opt n SER 148 Ca -0.01 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2opt n SER 148 Cb 0.24 -0.82 0.43 0.00 -0.26 0.00 0.00 64.21 63.81 2opt n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2opt n GLY 149 N -0.51 0.14 1.19 5.00 0.00 -1.04 -4.90 105.19 105.08 2opt n GLY 149 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2opt n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opt n GLY 150 N 1.13 0.74 3.71 -0.02 0.00 0.08 -5.01 105.19 105.83 2opt n GLY 150 Ca 0.17 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2opt n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2opt s LEU 151 N 0.00 4.35 0.80 0.99 1.02 -1.22 -4.80 118.68 119.82 2opt s LEU 151 Ca 0.00 1.54 -0.12 0.00 0.02 0.00 0.00 54.13 55.56 2opt s LEU 151 Cb 0.00 -3.45 0.08 0.00 0.02 0.00 0.00 46.19 42.84 2opt s LEU 151 CO 0.00 -0.24 1.16 -1.38 0.02 0.00 0.00 176.35 175.91 2opt s HIS 152 N 1.04 1.99 0.20 0.29 -3.43 -1.26 -4.51 115.29 109.60 2opt s HIS 152 Ca 0.48 1.67 -0.20 0.00 -0.80 0.00 0.00 55.06 56.21 2opt s HIS 152 Cb -0.20 -3.35 0.15 0.00 -1.43 0.00 0.00 32.58 27.76 2opt s HIS 152 CO 0.25 -2.52 1.58 -0.44 -2.00 0.00 0.00 174.74 171.61 2opt h ASP 153 N -1.01 -1.19 -0.51 7.38 3.32 -1.99 0.77 116.42 123.19 2opt h ASP 153 Ca -0.45 0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 2opt h ASP 153 Cb 1.27 0.60 -0.03 0.00 0.22 0.00 0.00 39.33 41.40 2opt h ASP 153 CO 0.47 -0.30 0.20 -0.33 -1.72 0.00 0.00 179.24 177.57 2opt h GLU 154 N -0.13 0.81 -0.30 3.56 5.08 -1.99 -1.32 114.58 120.30 2opt h GLU 154 Ca 0.26 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 2opt h GLU 154 Cb 0.56 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2opt h GLU 154 CO -0.74 0.68 -0.44 1.25 -1.00 0.00 0.00 179.01 178.76 2opt h LEU 155 N 0.80 0.81 -0.12 1.33 6.46 -1.45 0.80 115.31 123.94 2opt h LEU 155 Ca 0.19 -0.39 -0.08 0.00 -0.12 0.00 0.00 57.88 57.49 2opt h LEU 155 Cb 0.18 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2opt h LEU 155 CO -0.01 1.13 -0.22 0.00 -0.62 0.00 0.00 178.44 178.71 2opt h ALA 156 N 0.90 0.18 0.23 1.25 0.00 -0.78 0.03 119.26 121.07 2opt h ALA 156 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2opt h ALA 156 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2opt h ALA 156 CO 0.10 0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.38 2opt h ALA 157 N 0.53 -0.30 -0.38 0.00 0.00 -1.20 -1.97 119.26 115.93 2opt h ALA 157 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2opt h ALA 157 Cb 0.81 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2opt h ALA 157 CO 0.05 -0.61 -0.18 -0.92 0.00 0.00 0.00 179.25 177.59 2opt h TYR 158 N -0.42 0.80 -0.32 0.00 3.20 -0.92 -3.03 116.97 116.28 2opt h TYR 158 Ca -0.03 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 2opt h TYR 158 Cb 0.32 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2opt h TYR 158 CO -0.03 0.84 -0.16 0.78 -1.64 0.00 0.00 178.16 177.96 2opt h GLY 159 N 0.98 0.63 1.04 1.82 0.00 -0.90 0.13 103.07 106.76 2opt h GLY 159 Ca 0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2opt h GLY 159 CO 0.05 0.43 0.33 -1.33 0.00 0.00 0.00 176.54 176.01 2opt h GLY 160 N 0.97 1.24 0.82 4.60 0.00 -1.32 -0.43 103.07 108.96 2opt h GLY 160 Ca 0.09 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2opt h GLY 160 CO 0.04 0.63 -0.03 -1.80 0.00 0.00 0.00 176.54 175.38 2opt h ASP 161 N 1.13 -0.06 -0.69 0.19 1.82 -1.30 -2.06 116.42 115.44 2opt h ASP 161 Ca 0.26 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.75 2opt h ASP 161 Cb 0.20 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 2opt h ASP 161 CO -0.02 0.13 0.44 0.25 -1.61 0.00 0.00 179.24 178.43 2opt h LEU 162 N -0.26 0.74 -0.47 2.28 5.85 -0.68 -0.53 115.31 122.24 2opt h LEU 162 Ca -0.01 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2opt h LEU 162 Cb 0.23 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2opt h LEU 162 CO 0.01 0.53 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.52 2opt h LEU 163 N 0.88 0.85 -0.32 2.25 3.38 -1.00 -0.34 115.31 121.01 2opt h LEU 163 Ca 0.27 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2opt h LEU 163 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2opt h LEU 163 CO -0.08 0.99 0.20 -1.28 0.09 0.00 0.00 178.44 178.35 2opt h SER 164 N 0.71 0.38 -0.43 -0.43 0.87 -1.25 -0.22 113.55 113.19 2opt h SER 164 Ca 0.13 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2opt h SER 164 Cb 0.58 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2opt h SER 164 CO 0.03 0.31 0.25 0.74 -0.53 0.00 0.00 176.83 177.63 2opt h THR 165 N 0.43 1.03 0.16 2.23 2.02 -0.90 -1.63 112.91 116.24 2opt h THR 165 Ca 0.12 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.13 2opt h THR 165 Cb -0.01 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2opt h THR 165 CO -0.02 0.09 -0.19 0.15 0.37 0.00 0.00 175.52 175.92 2opt h PHE 166 N 0.50 -0.49 -0.53 3.16 3.57 -0.92 -0.72 116.94 121.51 2opt h PHE 166 Ca 0.17 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 2opt h PHE 166 Cb 0.02 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2opt h PHE 166 CO -0.08 -0.28 0.30 0.28 -2.23 0.00 0.00 178.31 176.31 2opt h VAL 167 N -0.39 1.02 -0.07 1.41 2.07 -0.92 -1.27 116.25 118.10 2opt h VAL 167 Ca 0.01 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2opt h VAL 167 Cb 0.38 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2opt h VAL 167 CO -0.07 0.11 0.04 0.74 0.02 0.00 0.00 177.57 178.41 2opt h THR 168 N 0.59 1.07 -0.56 2.57 2.02 -1.17 -0.89 112.91 116.54 2opt h THR 168 Ca 0.22 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.26 2opt h THR 168 Cb 0.06 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 2opt h THR 168 CO -0.12 0.06 0.26 0.00 0.37 0.00 0.00 175.52 176.09 2opt h ALA 169 N 0.95 0.73 -0.66 6.16 0.00 -1.00 -0.53 119.26 124.91 2opt h ALA 169 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2opt h ALA 169 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2opt h ALA 169 CO -0.00 -0.11 0.28 0.93 0.00 0.00 0.00 179.25 180.34 2opt h GLU 170 N 0.49 0.97 -0.43 0.00 4.39 -1.13 -1.86 114.58 117.01 2opt h GLU 170 Ca 0.26 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 2opt h GLU 170 Cb 0.23 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2opt h GLU 170 CO -0.22 0.80 -0.14 0.00 -1.16 0.00 0.00 179.01 178.30 2opt h ALA 171 N 1.12 0.95 -0.04 3.43 0.00 -0.66 -0.19 119.26 123.87 2opt h ALA 171 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2opt h ALA 171 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2opt h ALA 171 CO -0.02 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.11 2opt h LEU 172 N 0.71 0.06 -0.58 0.00 5.85 -1.06 -0.30 115.31 119.98 2opt h LEU 172 Ca 0.11 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2opt h LEU 172 Cb 0.63 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2opt h LEU 172 CO 0.04 0.15 0.30 -0.08 -0.34 0.00 0.00 178.44 178.52 2opt h GLU 173 N -0.04 0.56 -0.54 1.25 4.57 -1.04 -0.33 114.58 119.00 2opt h GLU 173 Ca 0.02 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2opt h GLU 173 Cb 0.11 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2opt h GLU 173 CO -0.00 0.37 0.35 0.37 -1.18 0.00 0.00 179.01 178.92 2opt h GLN 174 N 0.58 0.69 -0.05 1.92 4.15 -0.87 -1.76 115.11 119.76 2opt h GLN 174 Ca 0.26 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2opt h GLN 174 Cb 0.16 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2opt h GLN 174 CO -0.17 0.46 -0.05 1.03 -1.93 0.00 0.00 178.83 178.17 2opt h SER 175 N 0.71 0.07 0.86 -0.69 0.87 -0.70 -1.81 113.55 112.86 2opt h SER 175 Ca 0.20 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2opt h SER 175 Cb -0.06 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2opt h SER 175 CO -0.06 0.13 -0.25 0.77 -0.53 0.00 0.00 176.83 176.89 2opt h SER 176 N 0.07 0.00 -0.02 6.23 4.64 -0.17 0.04 113.55 124.34 2opt h SER 176 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2opt h SER 176 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2opt h SER 176 CO 0.01 0.25 0.00 0.54 -0.87 0.00 0.00 176.83 176.76 2opt n ARG 177 N -3.45 1.22 -2.95 4.77 1.74 -0.69 -4.92 116.66 112.38 2opt n ARG 177 Ca -0.00 -0.32 -0.21 0.00 -0.77 0.00 0.00 57.85 56.55 2opt n ARG 177 Cb 0.43 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 2opt n ARG 177 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2opt n ASN 178 N -0.57 2.52 0.00 0.55 3.02 -0.00 -5.12 115.26 115.67 2opt n ASN 178 Ca 0.20 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 2opt n ASN 178 Cb 0.18 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2opt n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2opt n GLY 189 N -0.02 -0.65 0.03 7.41 0.00 -1.26 -5.02 105.19 105.68 2opt n GLY 189 Ca 0.26 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.98 2opt n GLY 189 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2opt n VAL 190 N 0.00 0.40 -0.26 1.61 0.31 -1.26 -4.26 118.33 114.87 2opt n VAL 190 Ca 0.00 -0.55 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 2opt n VAL 190 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 2opt n VAL 190 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2opt h PHE 191 N 0.00 -1.08 -0.18 3.52 3.57 -2.03 0.86 116.94 121.59 2opt h PHE 191 Ca -0.16 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.48 2opt h PHE 191 Cb 1.28 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 40.59 2opt h PHE 191 CO 0.00 -0.40 0.14 0.00 -2.23 0.00 0.00 178.31 175.82 2opt h ALA 192 N 1.00 2.13 -0.01 2.41 0.00 -1.91 0.15 119.26 123.03 2opt h ALA 192 Ca 0.25 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 2opt h ALA 192 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2opt h ALA 192 CO -0.77 -0.23 -0.93 0.22 0.00 0.00 0.00 179.25 177.53 2opt h ASP 193 N 0.00 0.56 0.65 0.00 1.82 0.31 -2.54 116.42 117.22 2opt h ASP 193 Ca 0.09 -0.44 -0.16 0.00 -0.39 0.00 0.00 57.03 56.12 2opt h ASP 193 Cb 0.36 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2opt h ASP 193 CO -0.00 1.24 -0.75 1.56 -1.61 0.00 0.00 179.24 179.68 2opt h GLN 194 N 0.25 0.07 -0.64 0.28 4.20 0.12 -2.57 115.11 116.83 2opt h GLN 194 Ca -0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2opt h GLN 194 Cb 1.56 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.33 2opt h GLN 194 CO 0.16 0.79 0.33 1.25 -0.67 0.00 0.00 178.83 180.69 2opt h LEU 195 N 0.05 0.82 0.61 1.46 7.12 -1.06 -2.11 115.31 122.19 2opt h LEU 195 Ca -0.02 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.86 2opt h LEU 195 Cb 1.32 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.23 2opt h LEU 195 CO 0.10 0.70 -0.50 -0.74 -0.13 0.00 0.00 178.44 177.88 2opt h HIS 196 N 0.88 -1.36 -0.82 1.25 2.76 -1.24 -2.36 115.15 114.26 2opt h HIS 196 Ca 0.22 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.50 2opt h HIS 196 Cb 0.08 0.51 -0.08 0.00 1.55 0.00 0.00 27.41 29.48 2opt h HIS 196 CO -0.00 -0.69 0.45 0.78 -1.30 0.00 0.00 177.93 177.17 2opt h GLY 197 N -1.08 1.28 0.51 5.26 0.00 -1.44 -0.54 103.07 107.06 2opt h GLY 197 Ca -0.08 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2opt h GLY 197 CO 0.00 0.09 -0.25 -1.82 0.00 0.00 0.00 176.54 174.55 2opt h TYR 198 N 0.74 -0.68 -0.56 5.60 3.20 -1.34 -2.21 116.97 121.71 2opt h TYR 198 Ca 0.41 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.23 2opt h TYR 198 Cb 0.43 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2opt h TYR 198 CO -0.07 -0.35 0.09 -0.07 -1.64 0.00 0.00 178.16 176.12 2opt h LEU 199 N -0.44 0.88 -1.87 2.82 3.38 -0.93 -2.84 115.31 116.31 2opt h LEU 199 Ca 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2opt h LEU 199 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2opt h LEU 199 CO -0.17 0.92 -0.12 0.11 0.09 0.00 0.00 178.44 179.26 2opt h LYS 200 N 0.81 0.00 -0.68 1.13 1.57 -0.97 -2.87 116.57 115.57 2opt h LYS 200 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2opt h LYS 200 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2opt h LYS 200 CO 0.01 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.88 2opt n SER 201 N -4.08 4.34 -4.76 0.86 3.41 -0.85 -4.92 113.62 107.62 2opt n SER 201 Ca -0.02 -2.23 -0.36 0.00 -0.26 0.00 0.00 58.87 55.99 2opt n SER 201 Cb 0.21 -0.53 0.02 0.00 -0.26 0.00 0.00 64.21 63.64 2opt n SER 201 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2opt s LEU 202 N -1.44 3.81 -0.24 1.04 1.02 -1.08 -4.90 118.68 116.88 2opt s LEU 202 Ca 0.49 2.38 -0.28 0.00 0.02 0.00 0.00 54.13 56.74 2opt s LEU 202 Cb 0.29 -4.45 -0.05 0.00 0.02 0.00 0.00 46.19 42.00 2opt s LEU 202 CO 0.28 -1.33 2.24 -0.81 0.02 0.00 0.00 176.35 176.75 2opt n PRO 203 N -1.14 1.88 0.25 1.29 -0.04 -1.26 -4.81 135.00 131.17 2opt n PRO 203 Ca 0.11 0.49 0.17 0.00 -0.04 0.00 0.00 63.50 64.24 2opt n PRO 203 Cb 0.49 -3.22 0.90 0.00 -0.04 0.00 0.00 33.50 31.63 2opt n PRO 203 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2opt h ALA 204 N 15.26 1.59 0.00 0.55 0.00 -1.91 0.22 119.26 134.98 2opt h ALA 204 Ca -0.40 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2opt h ALA 204 Cb 1.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2opt h ALA 204 CO 0.97 -0.21 -0.82 1.15 0.00 0.00 0.00 179.25 180.35 2opt h THR 205 N 0.00 1.58 0.01 0.00 2.02 -1.98 -2.36 112.91 112.17 2opt h THR 205 Ca 0.05 -2.78 -0.33 0.00 0.77 0.00 0.00 66.41 64.12 2opt h THR 205 Cb 0.35 2.50 -0.06 0.00 -1.74 0.00 0.00 68.15 69.21 2opt h THR 205 CO -0.00 0.80 -2.01 -1.20 0.37 0.00 0.00 175.52 173.48 2opt n SER 206 N -3.58 0.66 -3.06 4.18 7.64 0.50 -4.62 113.62 115.35 2opt n SER 206 Ca -0.01 0.23 -0.23 0.00 1.01 0.00 0.00 58.87 59.87 2opt n SER 206 Cb 0.78 0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 64.22 2opt n SER 206 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2opt n PHE 207 N -2.97 2.39 -0.06 1.43 3.01 0.32 -4.94 117.46 116.65 2opt n PHE 207 Ca -0.25 -3.92 -0.03 0.00 1.01 0.00 0.00 57.45 54.26 2opt n PHE 207 Cb 1.09 -0.46 0.21 0.00 -0.01 0.00 0.00 39.48 40.31 2opt n PHE 207 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2opt h PRO 208 N 3.03 0.66 -0.20 -1.08 0.13 -1.65 -1.33 132.00 131.55 2opt h PRO 208 Ca 0.12 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 2opt h PRO 208 Cb 0.70 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2opt h PRO 208 CO 0.68 0.71 -0.35 -0.91 -0.23 0.00 0.00 178.00 177.91 2opt h ASN 209 N 0.62 0.65 -0.38 1.44 2.35 -1.92 -1.09 115.58 117.26 2opt h ASN 209 Ca 0.12 -0.53 -0.07 0.00 -0.55 0.00 0.00 56.30 55.27 2opt h ASN 209 Cb 0.45 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2opt h ASN 209 CO 0.02 1.06 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.79 2opt h LEU 210 N 0.27 0.73 0.24 1.61 4.07 -1.90 -0.36 115.31 119.97 2opt h LEU 210 Ca 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 2opt h LEU 210 Cb 0.94 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.48 2opt h LEU 210 CO 0.08 0.80 -0.11 0.58 -1.08 0.00 0.00 178.44 178.71 2opt h VAL 211 N 0.71 0.82 -0.70 1.22 2.07 -1.21 -2.24 116.25 116.93 2opt h VAL 211 Ca 0.14 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2opt h VAL 211 Cb 0.45 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 2opt h VAL 211 CO 0.02 0.10 0.41 -0.74 0.02 0.00 0.00 177.57 177.37 2opt h HIS 212 N -0.55 0.75 -0.33 1.57 -0.00 -1.09 -2.44 115.15 113.06 2opt h HIS 212 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2opt h HIS 212 Cb 0.40 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2opt h HIS 212 CO 0.00 0.38 0.00 1.28 -0.00 0.00 0.00 177.93 179.59 2opt n LEU 213 N -4.74 2.52 -0.17 0.26 4.77 -0.15 -4.59 117.00 114.90 2opt n LEU 213 Ca 0.09 -1.27 -0.01 0.00 -0.03 0.00 0.00 56.01 54.79 2opt n LEU 213 Cb 0.16 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2opt n LEU 213 CO 0.30 0.47 0.85 0.00 -1.33 0.00 0.00 177.39 177.68 2opt h ALA 214 N 3.39 0.52 0.51 -1.18 0.00 -0.89 -1.53 119.26 120.09 2opt h ALA 214 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2opt h ALA 214 Cb 0.79 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2opt h ALA 214 CO 0.10 -0.38 -0.24 0.78 0.00 0.00 0.00 179.25 179.51 2opt h GLY 215 N 0.13 -0.71 -0.02 0.00 0.00 -1.84 -2.73 103.07 97.90 2opt h GLY 215 Ca 0.27 0.26 0.20 0.00 0.00 0.00 0.00 47.33 48.07 2opt h GLY 215 CO -0.44 -0.26 0.50 -2.55 0.00 0.00 0.00 176.54 173.79 2opt h PRO 216 N -0.70 0.55 -0.38 4.80 0.11 -1.88 0.73 132.00 135.23 2opt h PRO 216 Ca -0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2opt h PRO 216 Cb 0.52 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 2opt h PRO 216 CO 0.11 0.37 0.17 0.82 -0.21 0.00 0.00 178.00 179.26 2opt h ILE 217 N 0.57 1.18 0.17 4.15 2.04 -1.30 -3.25 117.51 121.07 2opt h ILE 217 Ca 0.56 -0.53 -0.31 0.00 1.00 0.00 0.00 64.86 65.58 2opt h ILE 217 Cb 0.97 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2opt h ILE 217 CO -0.45 0.20 -1.41 0.71 0.00 0.00 0.00 178.15 177.20 2opt h THR 218 N 0.47 1.33 0.00 -0.27 1.35 -1.14 -3.43 112.91 111.22 2opt h THR 218 Ca 0.13 -2.86 -0.34 0.00 -0.55 0.00 0.00 66.41 62.79 2opt h THR 218 Cb 0.15 2.93 -0.06 0.00 -1.73 0.00 0.00 68.15 69.44 2opt h THR 218 CO -0.01 0.85 -2.28 -1.20 -0.25 0.00 0.00 175.52 172.63 2opt n SER 219 N -3.58 0.95 -4.00 5.36 7.64 0.22 -4.92 113.62 115.28 2opt n SER 219 Ca -0.14 -0.04 -0.53 0.00 1.01 0.00 0.00 58.87 59.18 2opt n SER 219 Cb 1.06 0.58 -0.07 0.00 -1.01 0.00 0.00 64.21 64.77 2opt n SER 219 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2opt n LEU 220 N -2.82 0.13 -4.60 -3.43 4.77 -1.24 -4.86 117.00 104.95 2opt n LEU 220 Ca -0.33 1.03 -0.46 0.00 -0.03 0.00 0.00 56.01 56.21 2opt n LEU 220 Cb 1.05 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2opt n LEU 220 CO 0.35 -1.56 0.73 -0.67 -1.33 0.00 0.00 177.39 174.90 2opt n ASP 221 N 1.61 1.66 -0.22 -1.43 -0.08 -1.26 -4.78 116.55 112.04 2opt n ASP 221 Ca 0.19 1.16 0.01 0.00 -1.51 0.00 0.00 54.79 54.64 2opt n ASP 221 Cb 0.05 -1.29 0.13 0.00 2.34 0.00 0.00 41.12 42.35 2opt n ASP 221 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2opt h SER 222 N 3.00 0.24 -0.51 1.67 0.02 -1.99 0.62 113.55 116.60 2opt h SER 222 Ca -0.42 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2opt h SER 222 Cb 1.33 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 2opt h SER 222 CO 0.67 0.13 0.31 0.44 -1.14 0.00 0.00 176.83 177.24 2opt h ASP 223 N 0.43 0.61 -0.18 3.07 3.32 -1.99 -1.16 116.42 120.51 2opt h ASP 223 Ca 0.34 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 57.11 2opt h ASP 223 Cb 0.44 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.84 2opt h ASP 223 CO -0.33 0.49 -0.73 -0.09 -1.72 0.00 0.00 179.24 176.86 2opt h ARG 224 N 0.68 0.82 -0.34 3.56 9.65 -1.74 -1.82 114.38 125.19 2opt h ARG 224 Ca 0.18 -0.63 -0.10 0.00 -1.10 0.00 0.00 59.98 58.33 2opt h ARG 224 Cb -0.01 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2opt h ARG 224 CO -0.03 1.24 -0.21 0.07 2.80 0.00 0.00 179.97 183.84 2opt h ARG 225 N 0.58 0.66 0.10 0.20 0.11 -0.85 -0.95 114.38 114.22 2opt h ARG 225 Ca -0.04 -0.25 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 2opt h ARG 225 Cb 1.35 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2opt h ARG 225 CO 0.15 0.82 -0.05 0.35 0.10 0.00 0.00 179.97 181.34 2opt h PHE 226 N 0.58 -0.12 -0.44 4.08 3.57 -1.11 -1.32 116.94 122.18 2opt h PHE 226 Ca 0.09 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2opt h PHE 226 Cb 0.67 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2opt h PHE 226 CO 0.03 -0.07 -0.05 0.93 -2.23 0.00 0.00 178.31 176.92 2opt h GLU 227 N -0.14 0.76 0.23 1.11 4.39 -1.23 0.83 114.58 120.54 2opt h GLU 227 Ca -0.01 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2opt h GLU 227 Cb 0.10 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2opt h GLU 227 CO 0.02 0.80 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.49 2opt h LEU 228 N 0.70 -0.26 -0.83 1.33 3.38 -1.06 -1.97 115.31 116.60 2opt h LEU 228 Ca 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2opt h LEU 228 Cb 0.50 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2opt h LEU 228 CO 0.03 -0.11 0.39 1.23 0.09 0.00 0.00 178.44 180.06 2opt h GLY 229 N -0.40 1.29 0.92 0.83 0.00 -1.02 -1.16 103.07 103.52 2opt h GLY 229 Ca -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.66 2opt h GLY 229 CO 0.05 0.62 0.06 -2.00 0.00 0.00 0.00 176.54 175.27 2opt h LEU 230 N 1.18 0.09 -0.39 3.11 6.46 -0.77 -1.94 115.31 123.05 2opt h LEU 230 Ca 0.28 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 2opt h LEU 230 Cb 0.13 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2opt h LEU 230 CO -0.03 0.07 0.21 -0.08 -0.62 0.00 0.00 178.44 177.99 2opt h GLU 231 N 0.14 0.42 -0.20 1.25 4.57 -1.19 -0.52 114.58 119.05 2opt h GLU 231 Ca 0.06 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2opt h GLU 231 Cb 0.02 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 2opt h GLU 231 CO -0.05 0.28 -0.07 0.82 -1.18 0.00 0.00 179.01 178.81 2opt h ILE 232 N 0.43 0.75 -0.22 2.32 2.04 -1.03 0.48 117.51 122.29 2opt h ILE 232 Ca 0.16 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 2opt h ILE 232 Cb 0.04 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2opt h ILE 232 CO -0.09 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.43 2opt h ILE 233 N -0.03 1.27 -0.27 -0.67 2.04 -1.12 -1.86 117.51 116.87 2opt h ILE 233 Ca 0.10 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2opt h ILE 233 Cb 0.19 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2opt h ILE 233 CO -0.22 0.30 0.07 0.40 0.00 0.00 0.00 178.15 178.70 2opt h ILE 234 N 0.15 0.90 -1.01 -0.67 1.08 -1.04 0.85 117.51 117.77 2opt h ILE 234 Ca 0.06 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2opt h ILE 234 Cb 0.46 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.84 2opt h ILE 234 CO 0.02 0.03 0.65 0.00 -0.69 0.00 0.00 178.15 178.16 2opt h ALA 235 N 1.19 1.44 -0.01 1.87 0.00 -0.87 -0.62 119.26 122.25 2opt h ALA 235 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2opt h ALA 235 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2opt h ALA 235 CO -0.15 0.38 -0.85 0.78 0.00 0.00 0.00 179.25 179.41 2opt h GLY 236 N 1.13 0.31 0.98 0.00 0.00 -0.82 -0.32 103.07 104.34 2opt h GLY 236 Ca 0.45 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2opt h GLY 236 CO -0.20 0.46 0.16 1.41 0.00 0.00 0.00 176.54 178.36 2opt h LEU 237 N 0.16 0.77 -0.52 3.11 3.38 -0.55 -1.92 115.31 119.74 2opt h LEU 237 Ca -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2opt h LEU 237 Cb 1.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2opt h LEU 237 CO 0.14 0.78 0.29 -0.07 0.09 0.00 0.00 178.44 179.67 2opt h LEU 238 N 0.72 0.65 -0.76 1.67 3.38 -0.92 -0.15 115.31 119.90 2opt h LEU 238 Ca 0.17 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2opt h LEU 238 Cb 0.29 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2opt h LEU 238 CO -0.00 0.54 0.43 0.00 0.09 0.00 0.00 178.44 179.50 2opt h ALA 239 N 1.13 1.06 -0.14 1.53 0.00 -1.01 -2.18 119.26 119.65 2opt h ALA 239 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2opt h ALA 239 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2opt h ALA 239 CO -0.03 0.10 -0.34 0.78 0.00 0.00 0.00 179.25 179.76 2opt h GLY 240 N 0.77 0.30 1.13 0.00 0.00 -0.80 -2.82 103.07 101.65 2opt h GLY 240 Ca 0.35 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 2opt h GLY 240 CO -0.21 0.24 0.28 0.00 0.00 0.00 0.00 176.54 176.84 2opt h ALA 241 N 1.41 1.10 -0.42 3.60 0.00 -0.51 -3.48 119.26 120.96 2opt h ALA 241 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2opt h ALA 241 Cb 0.71 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2opt h ALA 241 CO 0.05 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2opt n GLY 242 N -0.89 2.60 0.89 0.00 0.00 -0.87 -4.93 105.19 101.99 2opt n GLY 242 Ca 0.06 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.90 2opt n GLY 242 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50