#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.82 0.10 0.00 4.27 -1.26 -2.26 117.44 119.10 2nef n TRP 57 Ca 0.00 0.30 0.01 0.00 -3.89 0.00 0.00 57.50 53.91 2nef n TRP 57 Cb 0.00 -0.98 -0.03 0.00 -1.36 0.00 0.00 31.31 28.95 2nef n TRP 57 CO 0.00 0.00 0.00 1.37 -2.29 0.00 0.00 177.69 176.77 2nef h LEU 58 N 0.00 0.00 -1.71 5.67 -0.00 -2.00 -3.26 115.31 114.02 2nef h LEU 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2nef h LEU 58 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2nef h LEU 58 CO 0.00 0.58 0.00 1.21 -0.00 0.00 0.00 178.44 180.23 2nef n GLU 59 N -3.13 0.85 -0.29 0.17 2.13 -0.96 -4.41 120.64 114.99 2nef n GLU 59 Ca -0.02 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.80 2nef n GLU 59 Cb 0.79 -1.18 -0.00 0.00 0.27 0.00 0.00 31.44 31.32 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef n ALA 60 N 0.43 2.96 0.15 4.31 0.00 -1.23 -4.40 120.51 122.73 2nef n ALA 60 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2nef n ALA 60 Cb 0.36 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 2nef n ALA 60 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2nef h GLN 61 N 2.34 -0.72 0.00 0.00 4.15 -1.93 -3.46 115.11 115.48 2nef h GLN 61 Ca 0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2nef h GLN 61 Cb 0.58 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2nef h GLN 61 CO 0.01 -0.48 0.00 -1.91 -1.93 0.00 0.00 178.83 174.52 2nef n GLU 62 N -5.49 0.00 -2.29 1.69 2.13 -1.26 -5.06 120.64 110.36 2nef n GLU 62 Ca -0.08 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.31 2nef n GLU 62 Cb 0.41 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.09 2nef n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2nef s GLU 63 N -0.98 3.40 1.27 5.31 2.12 -1.26 -4.99 118.70 123.56 2nef s GLU 63 Ca 0.00 0.84 -0.16 0.00 0.36 0.00 0.00 54.97 56.02 2nef s GLU 63 Cb 0.00 -4.10 0.32 0.00 0.26 0.00 0.00 34.13 30.61 2nef s GLU 63 CO 0.00 -1.80 0.99 -1.83 -0.54 0.00 0.00 175.26 172.08 2nef s GLU 64 N 5.35 -1.72 0.00 4.30 -1.05 -1.26 -4.96 118.70 119.36 2nef s GLU 64 Ca 0.62 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 56.09 2nef s GLU 64 Cb -0.14 -1.48 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 2nef s GLU 64 CO 0.30 -4.20 0.33 -0.85 0.95 0.00 0.00 175.26 171.78 2nef n GLU 65 N -5.23 0.00 -2.38 -4.83 0.00 -1.26 -5.11 120.64 101.83 2nef n GLU 65 Ca 0.05 -0.29 -0.27 0.00 0.00 0.00 0.00 57.16 56.65 2nef n GLU 65 Cb 0.56 -0.25 0.03 0.00 0.00 0.00 0.00 31.44 31.77 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2nef s VAL 66 N 0.00 3.73 0.00 3.84 1.01 -1.26 -5.07 120.40 122.65 2nef s VAL 66 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2nef s VAL 66 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2nef s VAL 66 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2nef n GLY 67 N -2.59 -2.71 2.72 4.51 0.00 -1.26 -4.97 105.19 100.89 2nef n GLY 67 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 2nef n GLY 67 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2nef n PHE 68 N 0.00 -0.92 -2.03 1.61 -1.74 -1.26 -5.09 117.46 108.02 2nef n PHE 68 Ca 0.00 -1.95 -0.41 0.00 -0.56 0.00 0.00 57.45 54.53 2nef n PHE 68 Cb 0.00 0.91 -0.03 0.00 1.52 0.00 0.00 39.48 41.88 2nef n PHE 68 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2nef s PRO 69 N -1.24 3.10 -0.46 3.97 0.04 -1.26 -4.95 135.00 134.20 2nef s PRO 69 Ca 0.17 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 2nef s PRO 69 Cb 0.41 -4.25 0.03 0.00 0.04 0.00 0.00 34.50 30.72 2nef s PRO 69 CO -0.09 -2.15 1.03 0.54 0.04 0.00 0.00 177.00 176.38 2nef s VAL 70 N 7.59 4.36 -0.34 -0.36 0.11 -1.26 -4.97 120.40 125.53 2nef s VAL 70 Ca 0.74 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 2nef s VAL 70 Cb -0.18 -4.51 0.11 0.00 -1.53 0.00 0.00 36.38 30.27 2nef s VAL 70 CO 0.29 -0.88 0.13 0.42 -3.33 0.00 0.00 175.10 171.73 2nef s THR 71 N 4.05 1.02 0.00 5.04 -4.23 -1.26 -5.13 115.64 115.14 2nef s THR 71 Ca 0.42 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2nef s THR 71 Cb -0.09 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2nef s THR 71 CO 0.28 -0.73 0.00 -0.81 -0.54 0.00 0.00 174.62 172.82 2nef n PRO 72 N 4.52 2.06 -1.52 3.99 -0.04 -1.26 -4.25 135.00 138.50 2nef n PRO 72 Ca 0.01 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 2nef n PRO 72 Cb 0.40 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2nef n GLN 73 N -0.05 0.37 -3.02 0.54 3.00 -1.26 -4.79 117.38 112.17 2nef n GLN 73 Ca 0.00 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.64 2nef n GLN 73 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 30.24 27.98 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2nef s VAL 74 N 9.60 4.84 -0.33 5.09 -7.23 -1.26 -4.92 120.40 126.19 2nef s VAL 74 Ca 1.21 0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 61.57 2nef s VAL 74 Cb -0.80 -3.72 -0.13 0.00 0.56 0.00 0.00 36.38 32.29 2nef s VAL 74 CO 0.40 -0.43 1.20 -2.65 -0.31 0.00 0.00 175.10 173.31 2nef n PRO 75 N -1.09 0.00 -1.74 4.82 -0.02 -1.26 -4.72 135.00 130.99 2nef n PRO 75 Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 2nef n PRO 75 Cb 0.54 -1.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.99 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 2.72 3.37 0.96 2.45 1.43 -1.26 -4.96 118.68 123.39 2nef s LEU 76 Ca 0.74 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 2nef s LEU 76 Cb -1.00 -2.61 0.20 0.00 0.03 0.00 0.00 46.19 42.81 2nef s LEU 76 CO 0.51 -2.62 1.31 -0.13 0.23 0.00 0.00 176.35 175.66 2nef s ARG 77 N 7.64 0.65 -0.46 1.70 0.52 -1.26 -5.00 118.95 122.73 2nef s ARG 77 Ca 0.87 -0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 55.41 2nef s ARG 77 Cb -0.17 -1.87 0.03 0.00 0.52 0.00 0.00 34.95 33.47 2nef s ARG 77 CO 0.25 -2.40 0.69 -1.25 0.02 0.00 0.00 175.30 172.61 2nef s PRO 78 N -5.87 3.27 -0.65 3.54 0.04 -1.26 -4.91 135.00 129.17 2nef s PRO 78 Ca 0.74 -0.42 -0.26 0.00 0.04 0.00 0.00 61.00 61.10 2nef s PRO 78 Cb -0.04 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 2nef s PRO 78 CO 0.53 -1.11 2.07 1.41 0.04 0.00 0.00 177.00 179.94 2nef s MET 79 N 2.97 2.37 0.44 4.56 1.75 -1.26 -4.94 119.30 125.19 2nef s MET 79 Ca 0.23 0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 55.18 2nef s MET 79 Cb -0.15 -4.60 -0.07 0.00 2.84 0.00 0.00 34.83 32.85 2nef s MET 79 CO 0.18 -3.16 0.85 0.95 -0.65 0.00 0.00 175.02 173.19 2nef s THR 80 N 10.65 4.67 0.22 10.11 -4.23 -1.26 -4.86 115.64 130.94 2nef s THR 80 Ca 0.78 0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 62.11 2nef s THR 80 Cb -0.13 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.18 2nef s THR 80 CO 0.17 -0.54 1.72 0.10 -0.54 0.00 0.00 174.62 175.52 2nef h TYR 81 N 1.25 0.32 -0.06 3.99 -0.00 -1.92 2.61 116.97 123.16 2nef h TYR 81 Ca -0.47 0.04 0.02 0.00 0.00 0.00 0.00 58.73 58.31 2nef h TYR 81 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 2nef h TYR 81 CO 0.62 0.02 0.05 -0.22 -0.00 0.00 0.00 178.16 178.62 2nef h LYS 82 N 0.34 0.00 -0.55 0.10 3.64 -1.92 -0.13 116.57 118.05 2nef h LYS 82 Ca 0.34 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.66 2nef h LYS 82 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2nef h LYS 82 CO -0.39 0.00 0.09 0.00 -2.27 0.00 0.00 179.45 176.88 2nef h ALA 83 N 1.96 1.13 0.03 5.00 0.00 0.42 0.81 119.26 128.62 2nef h ALA 83 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2nef h ALA 83 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2nef h ALA 83 CO -0.00 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 2nef h ALA 84 N 1.27 -0.04 -0.62 0.00 0.00 -0.08 0.56 119.26 120.35 2nef h ALA 84 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2nef h ALA 84 Cb 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2nef h ALA 84 CO 0.01 -0.45 0.25 0.28 0.00 0.00 0.00 179.25 179.33 2nef h VAL 85 N -0.19 1.23 -0.34 0.00 2.07 -1.29 0.33 116.25 118.07 2nef h VAL 85 Ca -0.00 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2nef h VAL 85 Cb 0.17 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2nef h VAL 85 CO 0.01 0.28 0.17 0.44 0.02 0.00 0.00 177.57 178.49 2nef h ASP 86 N 0.87 0.43 -0.95 0.57 5.19 -0.60 -2.03 116.42 119.90 2nef h ASP 86 Ca 0.21 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2nef h ASP 86 Cb 0.20 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 2nef h ASP 86 CO -0.02 0.42 0.58 0.25 -3.12 0.00 0.00 179.24 177.35 2nef h LEU 87 N 0.41 1.13 -0.73 1.55 5.85 0.62 -1.03 115.31 123.10 2nef h LEU 87 Ca 0.12 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.90 2nef h LEU 87 Cb 0.10 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 2nef h LEU 87 CO -0.02 0.86 0.30 0.77 -0.34 0.00 0.00 178.44 180.02 2nef h SER 88 N 1.30 0.31 0.05 1.25 4.64 0.36 -0.97 113.55 120.49 2nef h SER 88 Ca 0.34 0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.54 2nef h SER 88 Cb -0.07 0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2nef h SER 88 CO -0.06 0.14 -0.81 0.45 -0.87 0.00 0.00 176.83 175.67 2nef h HIS 89 N 0.47 0.86 0.55 4.77 3.86 -0.99 -2.00 115.15 122.68 2nef h HIS 89 Ca 0.39 -0.40 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2nef h HIS 89 Cb 0.55 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2nef h HIS 89 CO -0.15 1.21 -0.47 0.35 0.86 0.00 0.00 177.93 179.73 2nef h PHE 90 N 0.41 -1.27 0.00 2.45 3.57 0.01 -0.94 116.94 121.17 2nef h PHE 90 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2nef h PHE 90 Cb 1.43 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 40.65 2nef h PHE 90 CO 0.07 -0.65 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.38 2nef h LEU 91 N -1.00 0.00 -1.33 0.59 3.38 -1.31 -1.89 115.31 113.76 2nef h LEU 91 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2nef h LEU 91 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2nef h LEU 91 CO -0.02 0.05 0.03 0.50 0.09 0.00 0.00 178.44 179.09 2nef h LYS 92 N 0.00 0.47 0.00 1.13 3.11 -0.39 0.85 116.57 121.75 2nef h LYS 92 Ca -0.00 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 2nef h LYS 92 Cb 0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 2nef h LYS 92 CO 0.01 0.48 0.00 0.39 -2.81 0.00 0.00 179.45 177.52 2nef n GLU 93 N -4.32 0.00 0.03 1.90 1.02 -0.71 -4.07 120.64 114.49 2nef n GLU 93 Ca 0.01 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 2nef n GLU 93 Cb 0.21 -0.70 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2nef h LYS 94 N 0.00 0.25 -0.21 3.49 1.79 -1.67 -3.37 116.57 116.84 2nef h LYS 94 Ca 0.00 -0.43 0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2nef h LYS 94 Cb 0.00 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 2nef h LYS 94 CO 0.00 1.20 -0.19 0.78 -1.08 0.00 0.00 179.45 180.17 2nef h GLY 95 N -0.41 -1.83 -3.17 3.86 0.00 -0.95 -3.46 103.07 97.12 2nef h GLY 95 Ca -0.15 0.90 -0.16 0.00 0.00 0.00 0.00 47.33 47.91 2nef h GLY 95 CO 0.11 -0.60 -0.30 0.61 0.00 0.00 0.00 176.54 176.37 2nef n GLY 96 N -1.11 0.27 0.17 4.60 0.00 0.27 -4.92 105.19 104.48 2nef n GLY 96 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.82 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N -1.08 0.00 -9.66 0.99 5.85 -1.89 -3.43 115.31 106.08 2nef h LEU 97 Ca -0.24 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.90 2nef h LEU 97 Cb 1.15 0.00 0.16 0.00 0.37 0.00 0.00 40.66 42.34 2nef h LEU 97 CO 0.23 0.23 -0.09 1.21 -0.34 0.00 0.00 178.44 179.69 2nef n GLU 98 N -3.11 0.81 -0.27 1.25 2.13 -1.26 -1.18 120.64 119.00 2nef n GLU 98 Ca 0.02 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2nef n GLU 98 Cb 0.63 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.40 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nef n GLY 99 N 1.48 0.00 3.65 8.31 0.00 -0.06 -4.89 105.19 113.67 2nef n GLY 99 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2nef n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nef s LEU 100 N 0.00 4.08 -0.30 0.99 2.96 -0.33 -4.78 118.68 121.31 2nef s LEU 100 Ca 0.00 1.57 -0.28 0.00 -0.22 0.00 0.00 54.13 55.20 2nef s LEU 100 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 2nef s LEU 100 CO 0.00 -0.89 2.18 -0.63 -1.32 0.00 0.00 176.35 175.68 2nef s ILE 101 N 3.89 3.09 -0.61 6.68 -1.09 -1.26 -2.50 121.20 129.40 2nef s ILE 101 Ca 0.57 0.09 -0.26 0.00 -2.23 0.00 0.00 60.65 58.82 2nef s ILE 101 Cb -0.21 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 2nef s ILE 101 CO 0.19 -0.10 2.01 -2.28 -1.23 0.00 0.00 174.94 173.53 2nef s HIS 102 N 8.83 1.51 0.00 3.97 5.65 0.79 -4.86 115.29 131.18 2nef s HIS 102 Ca 0.96 1.00 0.00 0.00 0.25 0.00 0.00 55.06 57.26 2nef s HIS 102 Cb -0.28 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.18 2nef s HIS 102 CO 0.33 -2.30 0.38 0.43 -0.65 0.00 0.00 174.74 172.93 2nef n SER 103 N 13.77 0.00 0.00 9.88 7.64 -1.26 -3.21 113.62 140.44 2nef n SER 103 Ca 0.26 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.62 2nef n SER 103 Cb 0.52 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2nef n GLN 104 N -1.14 0.00 -0.01 1.43 7.27 -1.26 -4.74 117.38 118.93 2nef n GLN 104 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2nef n GLN 104 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 2nef n GLN 104 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nef h ARG 105 N 0.00 0.00 -0.51 3.69 -0.00 -1.99 -3.34 114.38 112.22 2nef h ARG 105 Ca 0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.98 59.63 2nef h ARG 105 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 2nef h ARG 105 CO 0.00 0.47 0.47 0.00 0.00 0.00 0.00 179.97 180.91 2nef h ARG 106 N 0.00 0.00 -0.45 0.04 3.08 -1.96 0.11 114.38 115.20 2nef h ARG 106 Ca -0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 2nef h ARG 106 Cb 1.93 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.96 2nef h ARG 106 CO 0.07 0.00 0.11 0.37 -1.07 0.00 0.00 179.97 179.45 2nef h GLN 107 N 0.00 0.73 -0.23 0.04 4.15 -1.97 -2.76 115.11 115.06 2nef h GLN 107 Ca 0.24 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 59.51 2nef h GLN 107 Cb 1.18 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2nef h GLN 107 CO -0.00 0.72 0.08 -0.44 -1.93 0.00 0.00 178.83 177.26 2nef h ASP 108 N 0.60 0.09 -0.35 -0.69 3.32 -1.20 -2.50 116.42 115.70 2nef h ASP 108 Ca 0.14 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.28 2nef h ASP 108 Cb 0.32 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 2nef h ASP 108 CO 0.00 0.09 -0.07 0.40 -1.72 0.00 0.00 179.24 177.94 2nef h ILE 109 N 0.19 0.67 0.00 0.35 5.03 -1.47 0.78 117.51 123.06 2nef h ILE 109 Ca 0.10 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 2nef h ILE 109 Cb 0.07 0.65 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 2nef h ILE 109 CO -0.10 0.00 0.00 -0.11 -0.68 0.00 0.00 178.15 177.26 2nef n LEU 110 N -5.26 0.00 -0.33 1.44 7.94 -0.96 0.14 117.00 119.98 2nef n LEU 110 Ca 0.01 0.94 0.09 0.00 -1.11 0.00 0.00 56.01 55.94 2nef n LEU 110 Cb 0.19 -0.44 0.26 0.00 0.53 0.00 0.00 43.42 43.97 2nef n LEU 110 CO 0.18 -0.44 1.16 0.44 -1.11 0.00 0.00 177.39 177.62 2nef h ASP 111 N 0.00 0.69 0.14 1.96 3.32 -1.37 -1.81 116.42 119.35 2nef h ASP 111 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2nef h ASP 111 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2nef h ASP 111 CO 0.00 0.29 -0.07 0.25 -1.72 0.00 0.00 179.24 177.99 2nef h LEU 112 N 0.74 -0.16 -0.88 1.55 5.85 0.18 -2.51 115.31 120.09 2nef h LEU 112 Ca 0.51 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 59.25 2nef h LEU 112 Cb 0.70 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.67 2nef h LEU 112 CO -0.35 0.06 0.44 -0.25 -0.34 0.00 0.00 178.44 177.99 2nef h TRP 113 N -0.37 0.75 -0.41 1.25 7.01 0.21 0.65 115.95 125.04 2nef h TRP 113 Ca -0.02 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.05 2nef h TRP 113 Cb 0.30 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2nef h TRP 113 CO -0.01 0.11 0.27 0.82 -2.79 0.00 0.00 178.44 176.84 2nef h ILE 114 N 0.56 1.03 0.37 2.65 1.08 -1.02 -1.36 117.51 120.83 2nef h ILE 114 Ca 0.50 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.80 2nef h ILE 114 Cb 0.81 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 2nef h ILE 114 CO -0.42 0.08 -0.18 0.22 -0.69 0.00 0.00 178.15 177.16 2nef h TYR 115 N 0.44 -0.47 0.00 1.37 3.20 0.74 1.71 116.97 123.96 2nef h TYR 115 Ca 0.17 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2nef h TYR 115 Cb 0.11 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2nef h TYR 115 CO -0.00 -0.29 -0.01 0.45 -1.64 0.00 0.00 178.16 176.67 2nef h HIS 116 N -0.59 0.00 0.00 -3.82 3.86 -1.44 -1.73 115.15 111.43 2nef h HIS 116 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2nef h HIS 116 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2nef h HIS 116 CO 0.10 0.01 0.00 0.25 0.86 0.00 0.00 177.93 179.15 2nef n THR 117 N -3.46 0.00 0.10 2.45 -2.24 -0.52 -4.08 114.28 106.53 2nef n THR 117 Ca -0.03 0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.80 2nef n THR 117 Cb 0.10 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 66.97 2nef n THR 117 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2nef h GLN 118 N 0.00 0.57 0.00 -0.78 -0.00 -0.43 -3.46 115.11 111.01 2nef h GLN 118 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 58.65 57.83 2nef h GLN 118 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 27.48 27.76 2nef h GLN 118 CO 0.00 1.37 0.00 0.41 0.00 0.00 0.00 178.83 180.61 2nef n GLY 119 N 1.48 0.72 3.73 2.39 0.00 0.54 -4.66 105.19 109.38 2nef n GLY 119 Ca -0.14 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -2.00 3.38 0.28 1.61 2.02 -1.25 -4.72 117.35 116.67 2nef s TYR 120 Ca 0.00 1.30 -0.30 0.00 -0.37 0.00 0.00 57.07 57.70 2nef s TYR 120 Cb 0.00 -3.49 -0.10 0.00 -0.40 0.00 0.00 41.96 37.97 2nef s TYR 120 CO 0.00 -1.49 1.41 0.12 -1.57 0.00 0.00 175.55 174.02 2nef s PHE 121 N 0.41 2.99 -0.81 2.71 5.36 -1.26 -4.60 117.98 122.78 2nef s PHE 121 Ca 0.56 1.13 -0.26 0.00 -0.96 0.00 0.00 56.93 57.41 2nef s PHE 121 Cb -0.33 -3.80 0.01 0.00 -0.34 0.00 0.00 43.02 38.56 2nef s PHE 121 CO 0.34 -2.50 1.54 -1.25 -1.46 0.00 0.00 175.22 171.88 2nef s PRO 122 N -0.86 3.09 0.00 10.12 0.04 -1.26 -4.50 135.00 141.62 2nef s PRO 122 Ca 0.56 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2nef s PRO 122 Cb -0.42 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.47 2nef s PRO 122 CO 0.47 -2.46 0.39 -0.40 0.04 0.00 0.00 177.00 175.05 2nef n ASP 123 N 10.58 0.00 -0.00 6.66 5.75 -1.26 -4.84 116.55 133.44 2nef n ASP 123 Ca 0.20 -1.16 0.06 0.00 -0.01 0.00 0.00 54.79 53.88 2nef n ASP 123 Cb 0.50 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.48 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.00 0.00 -2.48 2.11 4.27 -1.26 -4.92 117.44 115.15 2nef n TRP 124 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.53 -0.15 -0.02 0.00 -1.36 0.00 0.00 31.31 30.31 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -2.50 4.02 0.07 -2.67 -2.07 -1.26 -4.64 119.66 110.61 2nef s GLN 125 Ca -0.00 1.29 -0.22 0.00 -1.82 0.00 0.00 55.36 54.60 2nef s GLN 125 Cb 0.08 -3.82 0.05 0.00 -1.09 0.00 0.00 33.01 28.24 2nef s GLN 125 CO 0.49 -0.98 0.52 -0.80 -1.32 0.00 0.00 175.29 173.20 2nef s ASN 126 N 2.32 -0.43 0.20 12.60 0.01 -1.26 -5.04 114.94 123.33 2nef s ASN 126 Ca 0.53 0.11 -0.23 0.00 -0.71 0.00 0.00 52.86 52.55 2nef s ASN 126 Cb -0.16 0.50 0.05 0.00 0.41 0.00 0.00 41.25 42.05 2nef s ASN 126 CO 0.19 -0.76 0.76 -0.31 -1.51 0.00 0.00 177.10 175.47 2nef s TYR 127 N -2.74 -0.27 0.26 2.20 1.51 -1.26 -2.72 117.35 114.32 2nef s TYR 127 Ca -0.04 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 2nef s TYR 127 Cb -0.00 0.64 -0.11 0.00 -0.11 0.00 0.00 41.96 42.39 2nef s TYR 127 CO -0.04 -1.00 1.51 0.95 -1.11 0.00 0.00 175.55 175.86 2nef s THR 128 N -3.67 2.45 -1.29 -0.71 -4.23 -1.11 -4.78 115.64 102.29 2nef s THR 128 Ca 0.08 0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.79 2nef s THR 128 Cb -0.03 -3.24 0.03 0.00 1.34 0.00 0.00 72.50 70.60 2nef s THR 128 CO -0.00 0.06 1.89 -0.81 -0.54 0.00 0.00 174.62 175.22 2nef n PRO 129 N 2.43 2.81 -3.67 3.99 -0.04 -1.26 -4.86 135.00 134.40 2nef n PRO 129 Ca 0.08 -2.93 -0.04 0.00 -0.04 0.00 0.00 63.50 60.57 2nef n PRO 129 Cb 0.39 -3.45 -0.01 0.00 -0.04 0.00 0.00 33.50 30.39 2nef n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2nef s GLY 130 N 4.33 -0.32 0.49 0.55 0.00 -1.26 -5.18 107.32 105.93 2nef s GLY 130 Ca 0.54 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.67 2nef s GLY 130 CO 0.05 0.12 0.56 -1.55 0.00 0.00 0.00 173.10 172.28 2nef n PRO 131 N -0.40 -1.13 0.00 2.90 -0.04 -1.26 -4.89 135.00 130.18 2nef n PRO 131 Ca -0.07 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2nef n PRO 131 Cb 0.61 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 132 N 0.34 0.33 3.06 0.55 0.00 -1.26 -4.79 105.19 103.43 2nef n GLY 132 Ca 0.07 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2nef n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nef n ILE 133 N 0.00 0.00 -3.13 -0.61 5.41 -1.26 -4.78 119.36 114.99 2nef n ILE 133 Ca 0.00 -0.09 0.02 0.00 1.00 0.00 0.00 62.75 63.68 2nef n ILE 133 Cb 0.00 -0.44 -0.00 0.00 -0.71 0.00 0.00 39.64 38.48 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nef s ARG 134 N -3.24 0.60 0.39 0.38 0.52 -1.10 -4.91 118.95 111.58 2nef s ARG 134 Ca 0.39 0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 55.48 2nef s ARG 134 Cb -0.05 0.14 -0.10 0.00 0.52 0.00 0.00 34.95 35.45 2nef s ARG 134 CO 0.42 -0.95 0.85 0.71 0.02 0.00 0.00 175.30 176.36 2nef s TYR 135 N 2.28 3.35 -0.21 -0.53 1.51 -1.26 -2.81 117.35 119.68 2nef s TYR 135 Ca 0.15 1.40 -0.29 0.00 -1.01 0.00 0.00 57.07 57.32 2nef s TYR 135 Cb -0.05 -2.69 -0.00 0.00 -0.11 0.00 0.00 41.96 39.11 2nef s TYR 135 CO -0.15 -0.03 1.15 -1.25 -1.11 0.00 0.00 175.55 174.15 2nef s PRO 136 N -3.17 4.22 0.18 -1.71 0.04 -1.26 -2.74 135.00 130.55 2nef s PRO 136 Ca 0.58 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2nef s PRO 136 Cb -0.10 -3.71 0.08 0.00 0.04 0.00 0.00 34.50 30.81 2nef s PRO 136 CO 0.17 -0.71 1.81 -0.07 0.04 0.00 0.00 177.00 178.24 2nef h LEU 137 N 9.70 0.70-10.16 -3.56 3.38 -1.82 -3.42 115.31 110.13 2nef h LEU 137 Ca -0.23 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 57.16 2nef h LEU 137 Cb 1.08 -0.18 0.12 0.00 0.09 0.00 0.00 40.66 41.77 2nef h LEU 137 CO 0.98 0.56 0.40 0.42 0.09 0.00 0.00 178.44 180.89 2nef s THR 138 N -5.98 2.87 0.29 0.22 -4.23 -1.26 -4.96 115.64 102.59 2nef s THR 138 Ca -0.13 0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 2nef s THR 138 Cb 0.13 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2nef s THR 138 CO 0.76 -0.21 0.44 0.12 -0.54 0.00 0.00 174.62 175.19 2nef s PHE 139 N -2.05 3.41 0.00 3.99 5.36 -1.26 -4.42 117.98 123.00 2nef s PHE 139 Ca 0.71 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2nef s PHE 139 Cb -0.25 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 2nef s PHE 139 CO 0.39 0.26 0.00 0.41 -1.46 0.00 0.00 175.22 174.82 2nef n GLY 140 N -1.57 2.73 3.55 13.12 0.00 -1.26 -4.88 105.19 116.89 2nef n GLY 140 Ca -0.06 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -1.18 2.06 -0.02 1.61 -0.00 -1.26 -2.64 118.94 117.51 2nef s TRP 141 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 56.10 56.33 2nef s TRP 141 Cb 0.00 -4.44 0.02 0.00 -0.00 0.00 0.00 33.47 29.05 2nef s TRP 141 CO 0.00 -2.16 1.59 0.00 -0.00 0.00 0.00 176.95 176.39 2nef s TYR 143 N -0.14 2.96 -0.19 0.00 2.02 -1.26 -1.53 117.35 119.20 2nef s TYR 143 Ca 0.02 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.82 2nef s TYR 143 Cb 0.02 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2nef s TYR 143 CO 0.00 -0.54 -0.18 0.21 -1.57 0.00 0.00 175.55 173.47 2nef s LYS 144 N 1.47 2.82 0.38 -0.62 2.20 -1.10 -4.38 119.74 120.51 2nef s LYS 144 Ca 0.06 -0.91 -0.25 0.00 -0.36 0.00 0.00 55.97 54.51 2nef s LYS 144 Cb -0.14 -2.60 -0.09 0.00 -1.51 0.00 0.00 37.83 33.49 2nef s LYS 144 CO -0.03 -0.28 1.09 -0.51 -0.36 0.00 0.00 175.35 175.27 2nef s LEU 145 N 1.27 4.21 -0.27 5.43 1.43 -1.12 -1.95 118.68 127.68 2nef s LEU 145 Ca 0.03 2.16 -0.16 0.00 -1.03 0.00 0.00 54.13 55.13 2nef s LEU 145 Cb -0.14 -4.06 0.08 0.00 0.03 0.00 0.00 46.19 42.10 2nef s LEU 145 CO -0.11 -0.50 0.66 -0.69 0.23 0.00 0.00 176.35 175.94 2nef s VAL 146 N -1.51 -0.00 -0.98 -1.59 1.01 -1.04 -2.73 120.40 113.56 2nef s VAL 146 Ca 0.56 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 2nef s VAL 146 Cb -0.26 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.22 2nef s VAL 146 CO 0.33 0.00 1.39 -2.16 0.00 0.00 0.00 175.10 174.66 2nef s PRO 147 N 1.50 3.55 0.00 2.72 0.04 -1.26 -3.19 135.00 138.35 2nef s PRO 147 Ca -0.09 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 59.85 2nef s PRO 147 Cb -0.05 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2nef s PRO 147 CO -0.17 -2.15 0.00 0.28 0.04 0.00 0.00 177.00 174.99 2nef n VAL 148 N 6.68 0.00 -3.11 -0.36 0.31 -1.26 -5.06 118.33 115.53 2nef n VAL 148 Ca 0.29 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 2nef n VAL 148 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 2nef n VAL 148 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nef s GLU 149 N 1.14 0.88 0.52 5.55 0.41 -1.26 -5.01 118.70 120.93 2nef s GLU 149 Ca 0.00 -0.94 0.40 0.00 -0.41 0.00 0.00 54.97 54.02 2nef s GLU 149 Cb 0.00 -0.34 1.58 0.00 -1.78 0.00 0.00 34.13 33.59 2nef s GLU 149 CO 0.00 -1.27 1.66 -1.35 -0.49 0.00 0.00 175.26 173.81 2nef h PRO 150 N 6.11 0.04 -6.22 0.39 0.11 -2.01 -3.38 132.00 127.04 2nef h PRO 150 Ca 0.08 -0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.63 2nef h PRO 150 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2nef h PRO 150 CO 0.13 0.03 1.27 -1.21 -0.21 0.00 0.00 178.00 178.00 2nef s GLU 151 N -5.03 3.72 0.00 1.05 2.02 -1.26 -4.96 118.70 114.25 2nef s GLU 151 Ca -0.06 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.03 2nef s GLU 151 Cb 0.26 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2nef s GLU 151 CO 0.85 -1.41 0.00 1.17 0.02 0.00 0.00 175.26 175.89 2nef n LYS 152 N 7.93 0.00 -2.78 1.61 4.81 -1.26 -4.86 118.16 123.60 2nef n LYS 152 Ca 0.22 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.24 2nef n LYS 152 Cb 0.44 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.46 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2nef s LEU 153 N 0.00 4.23 0.00 3.14 1.02 -1.26 -4.92 118.68 120.89 2nef s LEU 153 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 54.13 52.87 2nef s LEU 153 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 46.19 43.75 2nef s LEU 153 CO 0.00 -1.41 0.00 -0.62 0.02 0.00 0.00 176.35 174.34 2nef n GLU 154 N 7.84 0.00 -3.64 1.70 1.02 -1.26 -5.18 120.64 121.12 2nef n GLU 154 Ca 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.21 2nef n GLU 154 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.83 2nef n GLU 154 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 155 N -1.88 0.52 0.05 3.49 2.12 -1.26 -5.17 118.70 116.56 2nef s GLU 155 Ca 0.00 0.88 -0.27 0.00 0.36 0.00 0.00 54.97 55.95 2nef s GLU 155 Cb 0.00 0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.58 2nef s GLU 155 CO 0.00 -0.11 0.70 0.00 -0.54 0.00 0.00 175.26 175.31 2nef s ALA 156 N 1.42 -1.71 -0.83 6.30 0.00 -1.26 -5.09 121.76 120.59 2nef s ALA 156 Ca -0.09 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 2nef s ALA 156 Cb -0.04 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.57 2nef s ALA 156 CO -0.17 -0.61 1.27 -0.80 0.00 0.00 0.00 175.76 175.45 2nef s ASN 157 N -2.15 6.30 -0.25 0.00 0.01 -1.26 -4.93 114.94 112.66 2nef s ASN 157 Ca -0.02 -0.97 -0.18 0.00 -0.71 0.00 0.00 52.86 50.98 2nef s ASN 157 Cb -0.01 -2.53 0.07 0.00 0.41 0.00 0.00 41.25 39.20 2nef s ASN 157 CO -0.05 -1.61 0.65 -0.75 -1.51 0.00 0.00 177.10 173.83 2nef s LYS 158 N 4.98 0.69 -0.06 -0.60 2.20 -1.26 -5.15 119.74 120.54 2nef s LYS 158 Ca 0.36 1.06 -0.15 0.00 -0.36 0.00 0.00 55.97 56.88 2nef s LYS 158 Cb -0.07 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 2nef s LYS 158 CO 0.05 -0.13 0.40 -0.51 -0.36 0.00 0.00 175.35 174.79 2nef s ASP 174 N 1.14 6.70 0.36 1.43 1.11 -1.26 -5.07 116.67 121.08 2nef s ASP 174 Ca -0.06 0.83 -0.15 0.00 0.18 0.00 0.00 52.55 53.35 2nef s ASP 174 Cb -0.05 -2.24 -0.09 0.00 1.07 0.00 0.00 42.92 41.61 2nef s ASP 174 CO -0.12 0.21 0.78 1.51 1.18 0.00 0.00 175.17 178.73 2nef s ASP 175 N -0.38 6.72 -0.16 0.27 1.47 -1.26 -5.02 116.67 118.32 2nef s ASP 175 Ca 0.23 1.30 -0.29 0.00 1.18 0.00 0.00 52.55 54.97 2nef s ASP 175 Cb -0.15 -2.39 -0.01 0.00 -0.34 0.00 0.00 42.92 40.02 2nef s ASP 175 CO 0.11 -0.29 1.25 -2.16 0.68 0.00 0.00 175.17 174.76 2nef s PRO 176 N -3.26 4.24 -0.02 2.11 0.04 -1.26 -4.90 135.00 131.96 2nef s PRO 176 Ca 0.55 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2nef s PRO 176 Cb -0.10 -3.74 0.03 0.00 0.04 0.00 0.00 34.50 30.73 2nef s PRO 176 CO 0.21 -0.68 0.84 0.39 0.04 0.00 0.00 177.00 177.80 2nef n GLU 177 N 6.49 1.10 -1.25 4.56 1.02 -1.26 -4.77 120.64 126.54 2nef n GLU 177 Ca 0.14 -0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 2nef n GLU 177 Cb 0.45 -1.25 0.15 0.00 -0.02 0.00 0.00 31.44 30.77 2nef n GLU 177 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nef n ARG 178 N 0.27 -1.14 -0.99 3.49 3.00 -1.26 -4.84 116.66 115.18 2nef n ARG 178 Ca 0.02 -1.41 -0.27 0.00 -0.01 0.00 0.00 57.85 56.18 2nef n ARG 178 Cb 0.45 -0.99 -0.04 0.00 0.00 0.00 0.00 32.46 31.88 2nef n ARG 178 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2nef n GLU 179 N -3.10 2.70 -2.96 5.56 0.28 -1.26 -4.80 120.64 117.06 2nef n GLU 179 Ca 0.12 -1.66 -0.44 0.00 -0.16 0.00 0.00 57.16 55.01 2nef n GLU 179 Cb 0.41 -2.51 -0.03 0.00 1.43 0.00 0.00 31.44 30.74 2nef n GLU 179 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2nef s VAL 180 N 2.53 4.75 0.19 3.84 1.01 -1.26 -4.77 120.40 126.69 2nef s VAL 180 Ca 0.55 -1.46 0.10 0.00 0.00 0.00 0.00 61.98 61.18 2nef s VAL 180 Cb 0.16 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 2nef s VAL 180 CO -0.04 -1.44 -0.17 -0.76 0.00 0.00 0.00 175.10 172.70 2nef s LEU 181 N 2.66 2.71 0.04 3.92 1.43 -1.20 -4.69 118.68 123.56 2nef s LEU 181 Ca 0.29 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2nef s LEU 181 Cb -0.08 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2nef s LEU 181 CO -0.06 0.11 -0.18 -1.83 0.23 0.00 0.00 176.35 174.62 2nef s GLU 182 N -2.76 2.05 -0.43 1.70 -1.05 -1.19 0.28 118.70 117.29 2nef s GLU 182 Ca 0.23 -0.99 -0.29 0.00 -0.15 0.00 0.00 54.97 53.77 2nef s GLU 182 Cb -0.08 -2.18 0.01 0.00 -0.44 0.00 0.00 34.13 31.43 2nef s GLU 182 CO 0.13 0.54 1.48 -1.58 0.95 0.00 0.00 175.26 176.77 2nef s TRP 183 N -0.93 2.28 -0.63 4.83 0.51 -1.04 -2.50 118.94 121.45 2nef s TRP 183 Ca 0.15 0.64 -0.19 0.00 -2.12 0.00 0.00 56.10 54.57 2nef s TRP 183 Cb -0.10 -4.30 0.10 0.00 -0.81 0.00 0.00 33.47 28.36 2nef s TRP 183 CO 0.05 -2.12 0.78 0.50 -0.51 0.00 0.00 176.95 175.65 2nef s ARG 184 N 5.19 3.11 0.22 4.98 3.00 -0.82 -0.88 118.95 133.74 2nef s ARG 184 Ca 0.63 -1.31 -0.30 0.00 -1.00 0.00 0.00 55.73 53.74 2nef s ARG 184 Cb -0.14 -4.31 -0.10 0.00 0.00 0.00 0.00 34.95 30.40 2nef s ARG 184 CO 0.31 -1.60 1.42 0.12 0.00 0.00 0.00 175.30 175.56 2nef s PHE 185 N 2.83 3.09 -0.47 5.12 2.19 -1.26 -2.73 117.98 126.75 2nef s PHE 185 Ca 0.15 1.02 0.06 0.00 0.33 0.00 0.00 56.93 58.49 2nef s PHE 185 Cb -0.21 -3.78 0.24 0.00 -1.31 0.00 0.00 43.02 37.96 2nef s PHE 185 CO 0.05 -2.56 0.79 -3.47 1.83 0.00 0.00 175.22 171.86 2nef n ASP 186 N 2.70 -2.16 0.31 6.13 2.03 -0.58 -4.97 116.55 120.00 2nef n ASP 186 Ca 0.08 -3.14 0.02 0.00 0.52 0.00 0.00 54.79 52.26 2nef n ASP 186 Cb 0.41 1.22 0.10 0.00 -0.72 0.00 0.00 41.12 42.12 2nef n ASP 186 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2nef h SER 187 N 4.04 0.00 -0.13 1.67 0.87 -1.93 1.33 113.55 119.40 2nef h SER 187 Ca -0.09 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2nef h SER 187 Cb 0.99 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2nef h SER 187 CO 0.35 0.00 -0.03 0.03 -0.53 0.00 0.00 176.83 176.65 2nef h ARG 188 N 0.00 0.39 0.00 2.24 3.08 -1.93 0.17 114.38 118.32 2nef h ARG 188 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2nef h ARG 188 Cb 1.77 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.76 2nef h ARG 188 CO 0.00 0.44 0.00 -0.11 -1.07 0.00 0.00 179.97 179.23 2nef n LEU 189 N -4.30 0.00 0.00 3.04 7.94 0.46 -1.17 117.00 122.96 2nef n LEU 189 Ca 0.01 0.13 0.09 0.00 -1.11 0.00 0.00 56.01 55.12 2nef n LEU 189 Cb 0.23 -0.13 0.51 0.00 0.53 0.00 0.00 43.42 44.57 2nef n LEU 189 CO 0.38 -0.12 0.72 0.00 -1.11 0.00 0.00 177.39 177.26 2nef n ALA 190 N -1.13 2.21 0.00 1.96 0.00 0.58 -3.57 120.51 120.56 2nef n ALA 190 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2nef n ALA 190 Cb 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2nef n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nef n PHE 191 N -0.95 0.00 -1.47 0.00 3.72 -0.32 -4.86 117.46 113.59 2nef n PHE 191 Ca 0.13 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.23 2nef n PHE 191 Cb 0.06 0.13 0.10 0.00 -0.94 0.00 0.00 39.48 38.83 2nef n PHE 191 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2nef s HIS 192 N -1.67 2.70 -0.46 1.38 3.76 -1.22 -5.04 115.29 114.74 2nef s HIS 192 Ca 0.00 1.17 0.06 0.00 -0.15 0.00 0.00 55.06 56.14 2nef s HIS 192 Cb 0.00 -3.14 0.18 0.00 1.11 0.00 0.00 32.58 30.73 2nef s HIS 192 CO 0.00 -1.94 0.61 -1.58 -0.85 0.00 0.00 174.74 170.98 2nef s HIS 193 N -3.11 -1.18 0.04 1.40 2.46 -1.26 -4.84 115.29 108.80 2nef s HIS 193 Ca 0.61 -0.55 -0.13 0.00 0.47 0.00 0.00 55.06 55.46 2nef s HIS 193 Cb -0.15 0.09 -0.34 0.00 -0.13 0.00 0.00 32.58 32.05 2nef s HIS 193 CO 0.55 -1.16 1.04 0.52 -2.47 0.00 0.00 174.74 173.22 2nef h MET 194 N 5.93 0.47 -0.15 2.88 2.86 -1.96 -3.22 114.93 121.73 2nef h MET 194 Ca 0.08 -0.80 0.04 0.00 -2.06 0.00 0.00 59.70 56.96 2nef h MET 194 Cb 1.10 0.30 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 2nef h MET 194 CO 0.10 1.38 0.68 0.00 1.06 0.00 0.00 176.91 180.13 2nef h ALA 195 N 0.28 1.83 -0.06 6.32 0.00 -1.93 0.30 119.26 126.00 2nef h ALA 195 Ca -0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2nef h ALA 195 Cb 2.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2nef h ALA 195 CO 0.26 -0.76 -0.34 -0.09 0.00 0.00 0.00 179.25 178.32 2nef h ARG 196 N 0.00 0.33 0.00 0.00 2.43 -1.90 -3.06 114.38 112.18 2nef h ARG 196 Ca 0.07 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2nef h ARG 196 Cb 1.43 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2nef h ARG 196 CO -0.00 0.93 0.00 1.49 -1.51 0.00 0.00 179.97 180.88 2nef h GLU 197 N -0.18 0.00 0.08 0.20 4.57 -0.59 -2.48 114.58 116.19 2nef h GLU 197 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2nef h GLU 197 Cb 1.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2nef h GLU 197 CO 0.07 0.00 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.79 2nef h LEU 198 N 0.00 -0.09 -5.82 1.64 -0.00 -1.44 -3.43 115.31 106.17 2nef h LEU 198 Ca 0.00 -0.40 -0.44 0.00 -0.00 0.00 0.00 57.88 57.04 2nef h LEU 198 Cb 0.38 0.02 -0.30 0.00 -0.00 0.00 0.00 40.66 40.77 2nef h LEU 198 CO 0.00 0.56 -0.83 1.41 -0.00 0.00 0.00 178.44 179.58 2nef n HIS 199 N -4.81 -1.82 0.64 1.13 8.25 -1.16 -4.96 115.22 112.49 2nef n HIS 199 Ca -0.06 -2.70 0.13 0.00 -0.26 0.00 0.00 57.72 54.83 2nef n HIS 199 Cb 0.24 0.60 0.30 0.00 1.12 0.00 0.00 29.99 32.25 2nef n HIS 199 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2nef n PRO 200 N 2.49 0.25 -0.44 -0.41 -0.04 -0.94 -4.03 135.00 131.88 2nef n PRO 200 Ca 0.23 0.13 0.40 0.00 -0.04 0.00 0.00 63.50 64.22 2nef n PRO 200 Cb 0.52 -1.72 0.75 0.00 -0.04 0.00 0.00 33.50 33.02 2nef n PRO 200 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2nef h GLU 201 N 0.00 0.03 0.00 0.54 4.57 -1.93 -2.64 114.58 115.15 2nef h GLU 201 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2nef h GLU 201 Cb 0.72 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2nef h GLU 201 CO 0.00 0.02 0.00 0.66 -1.18 0.00 0.00 179.01 178.51 2nef n TYR 202 N -4.18 0.00 -2.95 0.92 4.02 -1.26 -4.57 117.16 109.14 2nef n TYR 202 Ca 0.32 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.77 2nef n TYR 202 Cb 1.46 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 40.51 2nef n TYR 202 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2nef s PHE 203 N -0.57 3.01 -0.02 -0.72 -0.12 -1.01 -4.72 117.98 113.82 2nef s PHE 203 Ca 0.00 -1.14 0.07 0.00 -0.05 0.00 0.00 56.93 55.81 2nef s PHE 203 Cb 0.00 -4.23 -0.10 0.00 -0.63 0.00 0.00 43.02 38.06 2nef s PHE 203 CO 0.00 -1.49 0.12 0.36 -0.05 0.00 0.00 175.22 174.17 2nef n LYS 204 N 6.72 0.82 -2.54 1.99 2.85 -1.13 -4.76 118.16 122.10 2nef n LYS 204 Ca 0.12 -0.05 -0.43 0.00 -1.05 0.00 0.00 58.31 56.90 2nef n LYS 204 Cb 0.47 -1.16 -0.02 0.00 -0.65 0.00 0.00 35.03 33.66 2nef n LYS 204 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2nef s ASN 205 N -3.02 7.06 0.00 -5.58 0.01 -1.26 -5.13 114.94 107.03 2nef s ASN 205 Ca -0.03 1.60 0.31 0.00 -0.71 0.00 0.00 52.86 54.03 2nef s ASN 205 Cb 0.04 -2.55 1.69 0.00 0.41 0.00 0.00 41.25 40.84 2nef s ASN 205 CO 0.28 -0.64 2.11 0.00 -1.51 0.00 0.00 177.10 177.34