#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.32 0.00 0.00 5.08 -1.98 -3.28 115.95 116.09 2nef h TRP 57 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 58.89 59.84 2nef h TRP 57 Cb 0.00 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.10 2nef h TRP 57 CO 0.00 0.80 0.00 -0.11 -1.28 0.00 0.00 178.44 177.85 2nef n LEU 58 N -3.86 0.88 -3.83 0.11 7.94 -1.26 -4.37 117.00 112.61 2nef n LEU 58 Ca -0.02 0.32 -0.42 0.00 -1.11 0.00 0.00 56.01 54.78 2nef n LEU 58 Cb 0.63 -0.34 -0.03 0.00 0.53 0.00 0.00 43.42 44.21 2nef n LEU 58 CO 0.45 -0.34 2.32 1.21 -1.11 0.00 0.00 177.39 179.91 2nef n GLU 59 N -1.57 2.27 -2.32 1.96 2.13 -1.26 -4.93 120.64 116.92 2nef n GLU 59 Ca 0.00 -2.36 -0.42 0.00 0.66 0.00 0.00 57.16 55.04 2nef n GLU 59 Cb 0.00 -3.19 -0.03 0.00 0.27 0.00 0.00 31.44 28.49 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef s ALA 60 N 4.56 3.51 0.00 4.31 0.00 -1.24 -4.90 121.76 128.01 2nef s ALA 60 Ca 0.53 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2nef s ALA 60 Cb 0.12 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2nef s ALA 60 CO 0.02 -0.70 0.00 0.94 0.00 0.00 0.00 175.76 176.03 2nef n GLN 61 N 4.69 0.00 0.01 0.00 -0.06 -1.26 -5.05 117.38 115.71 2nef n GLN 61 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2nef n GLN 61 Cb 0.45 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.63 2nef n GLN 61 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2nef n GLU 62 N 0.00 0.00 0.00 3.69 2.13 -1.26 -5.05 120.64 120.15 2nef n GLU 62 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2nef n GLU 62 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2nef n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2nef n GLU 63 N -2.04 0.00 -1.54 5.31 2.13 -1.26 -4.72 120.64 118.52 2nef n GLU 63 Ca 0.00 0.19 -0.44 0.00 0.66 0.00 0.00 57.16 57.57 2nef n GLU 63 Cb 0.00 -0.64 -0.05 0.00 0.27 0.00 0.00 31.44 31.03 2nef n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2nef n GLU 64 N -1.33 1.42 0.00 5.31 2.13 -1.26 -4.93 120.64 121.98 2nef n GLU 64 Ca 0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2nef n GLU 64 Cb 0.00 -2.98 0.00 0.00 0.27 0.00 0.00 31.44 28.73 2nef n GLU 64 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2nef n GLU 65 N 8.64 0.42 -2.61 5.31 1.02 -1.26 -4.75 120.64 127.42 2nef n GLU 65 Ca 0.36 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.09 2nef n GLU 65 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.79 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2nef s VAL 66 N -0.54 4.09 -0.71 2.62 1.01 -1.26 -4.75 120.40 120.85 2nef s VAL 66 Ca 0.00 -1.23 0.12 0.00 0.00 0.00 0.00 61.98 60.87 2nef s VAL 66 Cb 0.00 -5.07 0.61 0.00 0.00 0.00 0.00 36.38 31.92 2nef s VAL 66 CO 0.00 -1.92 1.45 0.61 0.00 0.00 0.00 175.10 175.24 2nef n GLY 67 N 6.24 2.46 2.65 4.51 0.00 -1.26 -4.32 105.19 115.48 2nef n GLY 67 Ca 0.37 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.61 -1.36 -0.91 1.61 -1.74 -1.26 -5.14 117.46 109.27 2nef n PHE 68 Ca 0.21 -2.34 -0.26 0.00 -0.56 0.00 0.00 57.45 54.50 2nef n PHE 68 Cb 0.89 0.92 0.22 0.00 1.52 0.00 0.00 39.48 43.03 2nef n PHE 68 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 2nef n PRO 69 N -0.24 -3.00 0.00 3.97 -0.04 -1.26 -5.07 135.00 129.35 2nef n PRO 69 Ca 0.04 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2nef n PRO 69 Cb 0.80 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2nef n PRO 69 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2nef n VAL 70 N -4.62 0.00 -2.91 0.52 0.24 -1.26 -5.05 118.33 105.25 2nef n VAL 70 Ca 0.13 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.11 2nef n VAL 70 Cb 0.51 -1.75 -0.05 0.00 -1.47 0.00 0.00 33.84 31.08 2nef n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2nef s THR 71 N 0.44 4.60 0.00 3.34 -4.23 -1.26 -5.06 115.64 113.47 2nef s THR 71 Ca 0.00 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 2nef s THR 71 Cb 0.00 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2nef s THR 71 CO 0.00 -0.35 0.00 -0.81 -0.54 0.00 0.00 174.62 172.92 2nef n PRO 72 N -0.76 0.97 -1.42 3.99 -0.04 -1.26 -4.30 135.00 132.19 2nef n PRO 72 Ca 0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 2nef n PRO 72 Cb 0.54 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.02 0.00 -3.28 0.54 6.02 -1.26 -4.78 117.38 114.60 2nef n GLN 73 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2nef n GLN 73 Cb 0.00 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2nef s VAL 74 N 6.28 5.00 0.09 5.09 -7.23 -1.26 -4.98 120.40 123.39 2nef s VAL 74 Ca 1.28 0.08 -0.22 0.00 -1.81 0.00 0.00 61.98 61.31 2nef s VAL 74 Cb -1.09 -3.74 -0.12 0.00 0.56 0.00 0.00 36.38 31.98 2nef s VAL 74 CO 0.48 -0.37 0.48 -2.65 -0.31 0.00 0.00 175.10 172.74 2nef n PRO 75 N -1.05 0.00 -1.62 4.82 -0.02 -1.26 -4.59 135.00 131.27 2nef n PRO 75 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 2nef n PRO 75 Cb 0.54 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 33.18 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 1.42 3.41 0.44 2.45 1.43 -1.26 -4.85 118.68 121.72 2nef s LEU 76 Ca 0.50 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.71 2nef s LEU 76 Cb -0.72 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 2nef s LEU 76 CO 0.39 -2.53 0.91 -0.13 0.23 0.00 0.00 176.35 175.22 2nef s ARG 77 N 7.52 4.04 -0.41 1.70 0.52 -1.26 -5.00 118.95 126.05 2nef s ARG 77 Ca 0.96 0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 56.79 2nef s ARG 77 Cb -0.22 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.04 2nef s ARG 77 CO 0.29 -0.09 1.28 -1.25 0.02 0.00 0.00 175.30 175.54 2nef s PRO 78 N -3.56 3.71 -0.44 3.54 0.04 -1.26 -4.90 135.00 132.13 2nef s PRO 78 Ca 0.58 0.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 2nef s PRO 78 Cb -0.10 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 2nef s PRO 78 CO 0.23 -1.39 1.87 1.41 0.04 0.00 0.00 177.00 179.15 2nef s MET 79 N 4.57 2.99 0.31 4.56 1.75 -1.26 -4.96 119.30 127.27 2nef s MET 79 Ca 0.55 1.15 -0.13 0.00 -1.25 0.00 0.00 55.69 56.01 2nef s MET 79 Cb -0.12 -4.29 -0.08 0.00 2.84 0.00 0.00 34.83 33.18 2nef s MET 79 CO 0.30 -2.27 0.70 0.95 -0.65 0.00 0.00 175.02 174.05 2nef s THR 80 N 8.07 4.74 0.23 10.11 -4.23 -1.26 -4.88 115.64 128.42 2nef s THR 80 Ca 0.77 0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 62.02 2nef s THR 80 Cb -0.19 -3.63 0.19 0.00 1.34 0.00 0.00 72.50 70.22 2nef s THR 80 CO 0.29 -0.20 1.73 0.10 -0.54 0.00 0.00 174.62 175.99 2nef h TYR 81 N 2.19 0.41 -0.01 3.99 -0.00 -2.01 2.61 116.97 124.16 2nef h TYR 81 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2nef h TYR 81 Cb 1.17 -0.08 -0.00 0.00 0.00 0.00 0.00 36.73 37.83 2nef h TYR 81 CO 0.61 0.04 0.00 -0.22 -0.00 0.00 0.00 178.16 178.60 2nef h LYS 82 N 0.39 0.00 -0.23 0.10 3.64 -1.98 0.52 116.57 119.01 2nef h LYS 82 Ca 0.37 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2nef h LYS 82 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2nef h LYS 82 CO -0.39 0.00 -0.11 0.00 -2.27 0.00 0.00 179.45 176.68 2nef h ALA 83 N 2.00 1.38 0.02 5.00 0.00 0.42 -1.55 119.26 126.52 2nef h ALA 83 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2nef h ALA 83 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2nef h ALA 83 CO -0.00 0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 2nef h ALA 84 N 1.53 -0.03 -0.42 0.00 0.00 0.13 0.24 119.26 120.71 2nef h ALA 84 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2nef h ALA 84 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2nef h ALA 84 CO 0.02 -0.42 0.19 0.28 0.00 0.00 0.00 179.25 179.33 2nef h VAL 85 N -0.22 1.19 0.10 0.00 2.07 -1.39 1.63 116.25 119.61 2nef h VAL 85 Ca -0.00 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2nef h VAL 85 Cb 0.21 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2nef h VAL 85 CO 0.00 0.21 -0.05 0.44 0.02 0.00 0.00 177.57 178.20 2nef h ASP 86 N 0.54 -0.11 -0.67 0.57 3.32 -1.20 -2.05 116.42 116.83 2nef h ASP 86 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2nef h ASP 86 Cb 0.15 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2nef h ASP 86 CO -0.02 -0.05 0.22 0.25 -1.72 0.00 0.00 179.24 177.92 2nef h LEU 87 N -0.15 0.97 -0.45 1.55 5.85 -0.22 -1.43 115.31 121.42 2nef h LEU 87 Ca -0.01 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2nef h LEU 87 Cb 0.12 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 2nef h LEU 87 CO 0.02 0.91 0.04 0.77 -0.34 0.00 0.00 178.44 179.85 2nef h SER 88 N 0.97 -0.09 0.32 1.25 4.64 0.28 -1.33 113.55 119.59 2nef h SER 88 Ca 0.22 0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.47 2nef h SER 88 Cb 0.28 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2nef h SER 88 CO -0.01 -0.01 -0.66 0.45 -0.87 0.00 0.00 176.83 175.73 2nef h HIS 89 N 0.16 0.41 0.19 4.77 3.86 -1.21 -2.45 115.15 120.88 2nef h HIS 89 Ca 0.23 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2nef h HIS 89 Cb 0.31 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2nef h HIS 89 CO -0.25 0.88 -0.19 0.35 0.86 0.00 0.00 177.93 179.58 2nef h PHE 90 N 0.22 -0.49 -0.15 2.45 3.57 -0.28 -1.22 116.94 121.04 2nef h PHE 90 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2nef h PHE 90 Cb 1.20 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2nef h PHE 90 CO 0.03 -0.28 0.01 -0.07 -2.23 0.00 0.00 178.31 175.77 2nef h LEU 91 N -0.41 0.19 -0.49 0.59 3.38 -1.29 -2.43 115.31 114.85 2nef h LEU 91 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2nef h LEU 91 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2nef h LEU 91 CO -0.04 0.23 0.26 0.50 0.09 0.00 0.00 178.44 179.47 2nef h LYS 92 N 0.21 0.70 0.00 1.13 3.11 -0.75 2.26 116.57 123.23 2nef h LYS 92 Ca 0.05 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2nef h LYS 92 Cb 0.14 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2nef h LYS 92 CO 0.00 0.56 0.00 0.39 -2.81 0.00 0.00 179.45 177.59 2nef n GLU 93 N -4.64 0.00 -0.06 1.90 -0.58 -0.70 -3.65 120.64 112.90 2nef n GLU 93 Ca 0.02 0.35 -0.13 0.00 -0.42 0.00 0.00 57.16 56.98 2nef n GLU 93 Cb 0.10 -1.05 -0.12 0.00 -0.57 0.00 0.00 31.44 29.79 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2nef h LYS 94 N 0.00 -0.00 -0.17 3.49 1.57 -1.58 -3.37 116.57 116.51 2nef h LYS 94 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2nef h LYS 94 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2nef h LYS 94 CO 0.00 0.91 -0.49 0.78 -0.57 0.00 0.00 179.45 180.08 2nef h GLY 95 N -0.97 -1.14 -1.33 3.86 0.00 -0.83 -3.47 103.07 99.20 2nef h GLY 95 Ca -0.00 0.69 -0.02 0.00 0.00 0.00 0.00 47.33 48.01 2nef h GLY 95 CO 0.00 -0.23 -0.03 0.61 0.00 0.00 0.00 176.54 176.89 2nef n GLY 96 N -1.37 0.84 0.12 4.60 0.00 0.74 -4.74 105.19 105.38 2nef n GLY 96 Ca -0.05 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.12 0.00 -9.61 0.99 5.85 -1.84 -3.43 115.31 107.15 2nef h LEU 97 Ca -0.03 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.11 2nef h LEU 97 Cb 1.02 0.00 0.16 0.00 0.37 0.00 0.00 40.66 42.21 2nef h LEU 97 CO 0.02 0.55 -0.13 1.21 -0.34 0.00 0.00 178.44 179.75 2nef n GLU 98 N -3.15 0.79 -0.48 1.25 2.13 -1.26 -1.02 120.64 118.90 2nef n GLU 98 Ca -0.01 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2nef n GLU 98 Cb 0.77 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 1.52 0.00 3.59 8.31 0.00 0.25 -4.84 105.19 114.02 2nef n GLY 99 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 3.50 -0.31 0.99 2.96 -0.19 -4.71 118.68 120.92 2nef s LEU 100 Ca 0.00 0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 54.07 2nef s LEU 100 Cb 0.00 -3.29 -0.06 0.00 0.50 0.00 0.00 46.19 43.34 2nef s LEU 100 CO 0.00 -1.53 2.28 -0.38 -1.32 0.00 0.00 176.35 175.40 2nef n ILE 101 N 6.90 0.22 -1.97 6.68 2.08 -1.26 -3.02 119.36 128.99 2nef n ILE 101 Ca 0.13 -0.52 -0.43 0.00 0.56 0.00 0.00 62.75 62.49 2nef n ILE 101 Cb 0.49 -2.51 -0.03 0.00 -0.75 0.00 0.00 39.64 36.84 2nef n ILE 101 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2nef s HIS 102 N 9.23 1.75 0.00 1.39 5.65 0.78 -4.85 115.29 129.24 2nef s HIS 102 Ca 1.02 0.63 0.00 0.00 0.25 0.00 0.00 55.06 56.96 2nef s HIS 102 Cb -0.36 -4.11 0.00 0.00 -1.18 0.00 0.00 32.58 26.94 2nef s HIS 102 CO 0.34 -3.01 0.27 0.45 -0.65 0.00 0.00 174.74 172.15 2nef n SER 103 N 10.52 0.00 0.00 9.88 2.88 -1.26 -2.88 113.62 132.76 2nef n SER 103 Ca 0.23 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2nef n SER 103 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nef n GLN 104 N -0.42 0.23 0.00 -1.46 10.64 -1.26 -3.95 117.38 121.15 2nef n GLN 104 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 2nef n GLN 104 Cb 0.00 -0.08 0.01 0.00 -0.86 0.00 0.00 30.24 29.31 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2nef n ARG 105 N -0.37 1.28 -0.24 2.61 1.74 -1.26 -4.65 116.66 115.76 2nef n ARG 105 Ca 0.00 -0.52 0.07 0.00 -0.77 0.00 0.00 57.85 56.63 2nef n ARG 105 Cb 0.00 -0.95 0.32 0.00 -1.02 0.00 0.00 32.46 30.81 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2nef h ARG 106 N 0.52 0.80 -0.60 5.56 9.65 -1.93 -0.76 114.38 127.62 2nef h ARG 106 Ca 0.00 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2nef h ARG 106 Cb 0.13 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2nef h ARG 106 CO 0.00 0.53 0.24 0.37 2.80 0.00 0.00 179.97 183.91 2nef h GLN 107 N 0.83 0.87 -0.10 0.20 -0.00 -1.97 -2.69 115.11 112.25 2nef h GLN 107 Ca 0.37 -0.14 0.03 0.00 -0.00 0.00 0.00 58.65 58.91 2nef h GLN 107 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.64 2nef h GLN 107 CO -0.14 0.72 -0.09 -0.44 0.00 0.00 0.00 178.83 178.87 2nef h ASP 108 N 0.86 -0.29 -0.55 -0.69 5.19 -1.45 -1.95 116.42 117.54 2nef h ASP 108 Ca 0.20 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.76 2nef h ASP 108 Cb 0.17 0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.76 2nef h ASP 108 CO -0.02 -0.13 0.19 0.40 -3.12 0.00 0.00 179.24 176.56 2nef h ILE 109 N -0.11 0.79 0.00 0.35 2.04 -1.40 -0.94 117.51 118.24 2nef h ILE 109 Ca 0.07 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2nef h ILE 109 Cb 0.22 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2nef h ILE 109 CO -0.17 0.07 -0.14 0.25 0.00 0.00 0.00 178.15 178.16 2nef h LEU 110 N 0.36 -0.42 -0.77 1.44 5.85 -1.11 0.96 115.31 121.62 2nef h LEU 110 Ca 0.27 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.21 2nef h LEU 110 Cb 0.32 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 2nef h LEU 110 CO -0.29 -0.14 0.17 0.44 -0.34 0.00 0.00 178.44 178.29 2nef h ASP 111 N -0.18 -0.02 0.44 1.25 5.19 -1.21 -1.10 116.42 120.79 2nef h ASP 111 Ca 0.00 0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2nef h ASP 111 Cb 0.19 0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2nef h ASP 111 CO -0.09 -0.07 -0.21 0.25 -3.12 0.00 0.00 179.24 176.00 2nef h LEU 112 N 0.24 -0.51 -0.64 1.55 5.85 -0.32 -1.98 115.31 119.52 2nef h LEU 112 Ca 0.44 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.22 2nef h LEU 112 Cb 0.78 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 2nef h LEU 112 CO -0.55 -0.22 -0.08 -0.25 -0.34 0.00 0.00 178.44 177.00 2nef h TRP 113 N -0.80 -0.19 -0.07 1.25 7.01 0.17 1.43 115.95 124.75 2nef h TRP 113 Ca -0.06 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.01 2nef h TRP 113 Cb 0.55 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.79 2nef h TRP 113 CO -0.00 -0.23 0.06 0.82 -2.79 0.00 0.00 178.44 176.29 2nef h ILE 114 N 0.05 0.73 0.56 2.65 2.04 -1.13 -2.56 117.51 119.85 2nef h ILE 114 Ca 0.32 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.16 2nef h ILE 114 Cb 0.52 0.96 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2nef h ILE 114 CO -0.61 0.00 -0.27 0.22 0.00 0.00 0.00 178.15 177.50 2nef h TYR 115 N 0.00 -0.70 0.00 1.37 3.20 0.27 -2.55 116.97 118.57 2nef h TYR 115 Ca 0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2nef h TYR 115 Cb 0.15 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2nef h TYR 115 CO 0.00 -0.37 0.00 0.72 -1.64 0.00 0.00 178.16 176.87 2nef n HIS 116 N -5.31 0.00 0.00 -3.82 8.25 -0.83 -1.69 115.22 111.82 2nef n HIS 116 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2nef n HIS 116 Cb 0.33 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N -1.20 0.00 1.25 1.59 -2.24 -0.97 -4.20 114.28 108.50 2nef n THR 117 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2nef n THR 117 Cb 0.01 -0.25 0.59 0.00 -2.10 0.00 0.00 70.33 68.59 2nef n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nef n GLN 118 N 0.00 0.36 -2.52 -0.78 3.00 -1.13 -4.56 117.38 111.74 2nef n GLN 118 Ca 0.00 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.00 56.82 2nef n GLN 118 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 28.75 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nef n GLY 119 N 1.37 0.25 3.75 1.08 0.00 -0.68 -4.30 105.19 106.65 2nef n GLY 119 Ca 0.11 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.75 3.56 -0.39 1.61 2.02 -1.25 -4.63 117.35 115.52 2nef s TYR 120 Ca 0.11 1.65 -0.21 0.00 -0.37 0.00 0.00 57.07 58.24 2nef s TYR 120 Cb -0.05 -3.30 0.01 0.00 -0.40 0.00 0.00 41.96 38.22 2nef s TYR 120 CO 0.13 -0.64 0.66 0.12 -1.57 0.00 0.00 175.55 174.25 2nef s PHE 121 N -0.84 3.10 -0.95 2.71 2.19 -1.26 -4.57 117.98 118.36 2nef s PHE 121 Ca 0.46 0.20 -0.21 0.00 0.33 0.00 0.00 56.93 57.71 2nef s PHE 121 Cb -0.32 -3.28 -0.25 0.00 -1.31 0.00 0.00 43.02 37.87 2nef s PHE 121 CO 0.39 -0.75 2.42 -2.30 1.83 0.00 0.00 175.22 176.82 2nef n PRO 122 N 6.20 0.12 -0.45 10.12 -0.02 -1.26 -4.44 135.00 145.27 2nef n PRO 122 Ca -0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2nef n PRO 122 Cb 0.48 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2nef n ASP 123 N 9.38 0.00 0.00 2.55 5.68 -1.26 -4.88 116.55 128.02 2nef n ASP 123 Ca 0.63 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.69 2nef n ASP 123 Cb 0.14 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N 0.00 0.00 -2.39 2.11 4.27 -1.26 -5.01 117.44 115.16 2nef n TRP 124 Ca 0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2nef n TRP 124 Cb 0.55 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.47 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 -1.84 4.41 0.27 -2.67 1.03 -1.26 -4.71 119.66 114.89 2nef s GLN 125 Ca 0.00 1.80 -0.20 0.00 0.04 0.00 0.00 55.36 57.00 2nef s GLN 125 Cb 0.00 -3.37 0.02 0.00 0.03 0.00 0.00 33.01 29.69 2nef s GLN 125 CO 0.00 -0.31 0.68 -0.80 -2.54 0.00 0.00 175.29 172.32 2nef s ASN 126 N 1.15 -0.25 0.05 12.60 0.01 -1.26 -5.07 114.94 122.17 2nef s ASN 126 Ca 0.59 -0.63 -0.27 0.00 -0.71 0.00 0.00 52.86 51.84 2nef s ASN 126 Cb -0.30 0.70 0.08 0.00 0.41 0.00 0.00 41.25 42.14 2nef s ASN 126 CO 0.28 -1.30 0.69 -0.31 -1.51 0.00 0.00 177.10 174.96 2nef s TYR 127 N -3.93 -0.54 0.55 2.20 1.51 -1.26 -2.91 117.35 112.97 2nef s TYR 127 Ca 0.12 0.60 -0.20 0.00 -1.01 0.00 0.00 57.07 56.58 2nef s TYR 127 Cb -0.05 0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 42.25 2nef s TYR 127 CO 0.06 -0.69 1.19 0.95 -1.11 0.00 0.00 175.55 175.96 2nef s THR 128 N -2.63 2.81 0.00 -0.71 -4.23 -0.97 -4.80 115.64 105.11 2nef s THR 128 Ca -0.03 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2nef s THR 128 Cb -0.01 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2nef s THR 128 CO -0.04 -0.08 1.47 -0.81 -0.54 0.00 0.00 174.62 174.63 2nef n PRO 129 N -1.22 0.80 -1.92 3.99 -0.04 -1.26 -4.79 135.00 130.57 2nef n PRO 129 Ca 0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 2nef n PRO 129 Cb 0.49 -1.10 0.21 0.00 -0.04 0.00 0.00 33.50 33.06 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 1.84 1.82 0.00 0.55 0.00 -1.26 -5.09 107.32 105.17 2nef s GLY 130 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2nef s GLY 130 CO 0.00 -0.48 0.00 -1.55 0.00 0.00 0.00 173.10 171.07 2nef n PRO 131 N -3.89 0.00 0.00 2.90 -0.04 -1.26 -4.92 135.00 127.79 2nef n PRO 131 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2nef n PRO 131 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 5.00 -3.28 3.51 0.55 0.00 -1.26 -4.61 105.19 105.10 2nef n GLY 132 Ca 0.00 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.72 0.82 -3.25 -0.61 2.08 -1.26 -4.77 119.36 111.65 2nef n ILE 133 Ca 0.00 -0.22 0.03 0.00 0.56 0.00 0.00 62.75 63.12 2nef n ILE 133 Cb 0.00 -0.80 -0.02 0.00 -0.75 0.00 0.00 39.64 38.07 2nef n ILE 133 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2nef s ARG 134 N -3.62 0.43 0.32 0.38 3.52 -1.16 -4.65 118.95 114.16 2nef s ARG 134 Ca 0.63 0.84 -0.12 0.00 -0.13 0.00 0.00 55.73 56.95 2nef s ARG 134 Cb -0.26 0.48 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 2nef s ARG 134 CO 0.61 -0.38 0.69 0.71 -0.81 0.00 0.00 175.30 176.12 2nef s TYR 135 N 2.84 3.42 -0.17 5.12 1.51 -1.26 -2.66 117.35 126.13 2nef s TYR 135 Ca 0.08 1.06 -0.29 0.00 -1.01 0.00 0.00 57.07 56.90 2nef s TYR 135 Cb -0.12 -2.42 -0.00 0.00 -0.11 0.00 0.00 41.96 39.31 2nef s TYR 135 CO -0.17 0.08 1.10 -1.25 -1.11 0.00 0.00 175.55 174.20 2nef s PRO 136 N -3.21 4.29 0.53 -1.71 0.04 -1.26 -2.29 135.00 131.40 2nef s PRO 136 Ca 0.51 1.47 0.21 0.00 0.04 0.00 0.00 61.00 63.23 2nef s PRO 136 Cb -0.10 -3.64 1.43 0.00 0.04 0.00 0.00 34.50 32.22 2nef s PRO 136 CO 0.23 -0.57 2.16 -0.07 0.04 0.00 0.00 177.00 178.78 2nef h LEU 137 N 9.13 0.00-10.32 -3.56 3.38 -1.84 -3.43 115.31 108.67 2nef h LEU 137 Ca -0.25 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.28 2nef h LEU 137 Cb 1.10 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.02 2nef h LEU 137 CO 0.94 0.04 0.15 0.42 0.09 0.00 0.00 178.44 180.08 2nef s THR 138 N -4.80 2.01 0.00 0.22 -4.23 -1.26 -4.85 115.64 102.72 2nef s THR 138 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2nef s THR 138 Cb 0.16 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2nef s THR 138 CO 0.63 -0.00 0.00 0.33 -0.54 0.00 0.00 174.62 175.03 2nef n PHE 139 N -4.35 0.00 0.25 3.99 7.35 -1.26 -4.57 117.46 118.88 2nef n PHE 139 Ca 0.05 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.77 2nef n PHE 139 Cb 0.57 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.46 2nef n PHE 139 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nef n GLY 140 N 2.89 -0.53 3.55 7.13 0.00 -1.26 -4.02 105.19 112.95 2nef n GLY 140 Ca 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.04 1.98 -0.24 1.61 -0.00 -1.26 -3.78 118.94 113.21 2nef s TRP 141 Ca -0.00 0.30 -0.05 0.00 -0.00 0.00 0.00 56.10 56.34 2nef s TRP 141 Cb 0.02 -4.31 -0.13 0.00 -0.00 0.00 0.00 33.47 29.04 2nef s TRP 141 CO 0.06 -2.08 3.27 0.00 -0.00 0.00 0.00 176.95 178.21 2nef s TYR 143 N -0.01 2.19 -0.06 0.00 2.02 -1.26 -1.84 117.35 118.38 2nef s TYR 143 Ca 0.64 -1.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2nef s TYR 143 Cb 0.34 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2nef s TYR 143 CO -0.09 -0.57 -0.10 0.15 -1.57 0.00 0.00 175.55 173.37 2nef s LYS 144 N 1.11 1.47 0.25 -0.62 1.02 -1.13 -4.16 119.74 117.68 2nef s LYS 144 Ca -0.03 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 2nef s LYS 144 Cb -0.14 -1.28 -0.09 0.00 -0.52 0.00 0.00 37.83 35.79 2nef s LYS 144 CO -0.05 -0.03 1.04 -0.51 -0.92 0.00 0.00 175.35 174.88 2nef s LEU 145 N 0.84 4.58 -0.28 3.17 1.43 -1.09 -0.62 118.68 126.71 2nef s LEU 145 Ca -0.12 2.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.96 2nef s LEU 145 Cb -0.15 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.54 2nef s LEU 145 CO 0.02 -0.04 0.68 -0.69 0.23 0.00 0.00 176.35 176.55 2nef s VAL 146 N -1.05 -0.08 0.01 -1.59 1.01 -1.02 -3.01 120.40 114.67 2nef s VAL 146 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 2nef s VAL 146 Cb -0.29 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2nef s VAL 146 CO 0.37 0.00 0.85 -2.16 0.00 0.00 0.00 175.10 174.16 2nef s PRO 147 N 1.74 4.53 -0.03 2.72 0.04 -1.26 -3.02 135.00 139.73 2nef s PRO 147 Ca -0.10 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.17 2nef s PRO 147 Cb -0.06 -3.42 0.15 0.00 0.04 0.00 0.00 34.50 31.22 2nef s PRO 147 CO -0.20 0.10 0.91 0.28 0.04 0.00 0.00 177.00 178.13 2nef n VAL 148 N 3.45 0.41 -2.19 -0.36 0.31 -1.26 -4.86 118.33 113.82 2nef n VAL 148 Ca 0.01 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 63.67 2nef n VAL 148 Cb 0.51 -0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 33.19 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 -1.55 4.32 0.00 5.55 2.02 -1.26 -5.00 118.70 122.78 2nef s GLU 149 Ca 0.11 2.04 0.00 0.00 0.02 0.00 0.00 54.97 57.14 2nef s GLU 149 Cb 0.07 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2nef s GLU 149 CO 0.05 -0.45 0.00 -0.35 0.02 0.00 0.00 175.26 174.53 2nef n PRO 150 N 4.22 0.00 -0.23 0.39 -0.04 -1.26 -4.99 135.00 133.09 2nef n PRO 150 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 2nef n PRO 150 Cb 0.43 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.01 2nef n PRO 150 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2nef n GLU 151 N 0.00 -2.75 -2.02 0.54 0.28 -1.26 -4.82 120.64 110.60 2nef n GLU 151 Ca 0.00 -0.67 -0.42 0.00 -0.16 0.00 0.00 57.16 55.90 2nef n GLU 151 Cb 0.00 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.10 2nef n GLU 151 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2nef n LYS 152 N -3.38 3.31 -2.83 3.44 2.85 -1.26 -4.97 118.16 115.32 2nef n LYS 152 Ca 0.06 -3.07 -0.33 0.00 -1.05 0.00 0.00 58.31 53.91 2nef n LYS 152 Cb 0.26 -3.07 -0.07 0.00 -0.65 0.00 0.00 35.03 31.49 2nef n LYS 152 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2nef s LEU 153 N 0.84 3.99 -0.44 -5.58 2.96 -1.26 -5.01 118.68 114.18 2nef s LEU 153 Ca 0.44 1.68 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 2nef s LEU 153 Cb 0.12 -4.45 0.26 0.00 0.50 0.00 0.00 46.19 42.63 2nef s LEU 153 CO -0.04 -0.32 1.02 1.21 -1.32 0.00 0.00 176.35 176.91 2nef n GLU 154 N -0.48 0.64 -3.64 1.98 4.07 -1.26 -5.12 120.64 116.83 2nef n GLU 154 Ca 0.06 -1.49 -0.10 0.00 -0.06 0.00 0.00 57.16 55.58 2nef n GLU 154 Cb 0.53 -1.08 -0.07 0.00 -0.06 0.00 0.00 31.44 30.77 2nef n GLU 154 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2nef s GLU 155 N 0.48 0.58 0.04 5.31 4.04 -1.26 -5.08 118.70 122.81 2nef s GLU 155 Ca 0.29 0.73 0.00 0.00 0.04 0.00 0.00 54.97 56.03 2nef s GLU 155 Cb 0.24 0.27 0.00 0.00 0.02 0.00 0.00 34.13 34.65 2nef s GLU 155 CO -0.18 -0.08 0.00 0.00 -1.84 0.00 0.00 175.26 173.16 2nef n ALA 156 N 2.55 0.00 -3.82 -0.84 0.00 -1.26 -5.16 120.51 111.98 2nef n ALA 156 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 2nef n ALA 156 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2nef n ALA 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2nef n ASN 157 N -2.22 1.31 -1.70 0.00 3.02 -1.26 -5.01 115.26 109.41 2nef n ASN 157 Ca 0.00 -1.53 -0.08 0.00 -0.03 0.00 0.00 54.58 52.95 2nef n ASN 157 Cb 0.00 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2nef n ASN 157 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2nef n LYS 158 N -0.24 1.39 -0.66 3.52 4.81 -1.26 -4.81 118.16 120.91 2nef n LYS 158 Ca -0.02 -0.70 0.00 0.00 -0.87 0.00 0.00 58.31 56.72 2nef n LYS 158 Cb 0.15 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.89 2nef n LYS 158 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2nef n ASP 174 N 1.11 0.00 -2.84 3.14 8.00 -1.26 -5.12 116.55 119.59 2nef n ASP 174 Ca 0.15 -0.42 -0.11 0.00 0.71 0.00 0.00 54.79 55.12 2nef n ASP 174 Cb 0.55 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.69 2nef n ASP 174 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nef n ASP 175 N -0.90 -2.01 -0.73 -2.24 8.00 -1.26 -4.92 116.55 112.49 2nef n ASP 175 Ca 0.00 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.16 2nef n ASP 175 Cb 0.00 1.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 2nef n ASP 175 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2nef n PRO 176 N 1.07 0.82 -1.27 -0.24 -0.04 -1.26 -4.53 135.00 129.55 2nef n PRO 176 Ca 0.11 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.25 2nef n PRO 176 Cb 0.64 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 2nef n PRO 176 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2nef n GLU 177 N 0.32 3.28 0.00 0.54 2.13 -1.26 -4.87 120.64 120.78 2nef n GLU 177 Ca 0.00 -1.96 0.00 0.00 0.66 0.00 0.00 57.16 55.86 2nef n GLU 177 Cb 0.30 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.44 2nef n GLU 177 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2nef n ARG 178 N 3.13 3.03 -1.16 5.31 3.00 -1.26 -4.68 116.66 124.03 2nef n ARG 178 Ca 0.68 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 58.09 2nef n ARG 178 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.82 2nef n ARG 178 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2nef n GLU 179 N 0.00 1.46 -2.30 5.56 4.71 -1.25 -4.75 120.64 124.07 2nef n GLU 179 Ca 0.00 -1.84 -0.43 0.00 -0.01 0.00 0.00 57.16 54.89 2nef n GLU 179 Cb 0.00 -2.93 0.00 0.00 -1.01 0.00 0.00 31.44 27.51 2nef n GLU 179 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2nef n VAL 180 N 6.08 4.15 -4.50 2.62 0.31 -1.24 -4.31 118.33 121.44 2nef n VAL 180 Ca 0.49 -4.16 -0.30 0.00 -0.01 0.00 0.00 64.34 60.36 2nef n VAL 180 Cb 0.41 -2.42 -0.12 0.00 -0.91 0.00 0.00 33.84 30.80 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.67 2.74 -0.01 7.52 1.43 -1.14 -4.76 118.68 125.13 2nef s LEU 181 Ca 0.42 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2nef s LEU 181 Cb 0.09 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2nef s LEU 181 CO -0.01 0.23 0.08 -1.83 0.23 0.00 0.00 176.35 175.05 2nef s GLU 182 N -1.70 3.08 -0.28 1.70 -1.05 -1.17 0.28 118.70 119.55 2nef s GLU 182 Ca 0.16 -0.47 -0.29 0.00 -0.15 0.00 0.00 54.97 54.23 2nef s GLU 182 Cb -0.11 -2.87 -0.01 0.00 -0.44 0.00 0.00 34.13 30.71 2nef s GLU 182 CO 0.08 0.66 1.46 -1.58 0.95 0.00 0.00 175.26 176.83 2nef s TRP 183 N -1.17 2.38 -0.67 4.83 0.51 -1.17 -2.44 118.94 121.21 2nef s TRP 183 Ca 0.22 0.70 -0.18 0.00 -2.12 0.00 0.00 56.10 54.72 2nef s TRP 183 Cb -0.12 -3.99 0.12 0.00 -0.81 0.00 0.00 33.47 28.67 2nef s TRP 183 CO 0.13 -2.29 0.79 0.50 -0.51 0.00 0.00 176.95 175.56 2nef s ARG 184 N 4.53 3.20 0.21 4.98 3.00 0.21 0.84 118.95 135.91 2nef s ARG 184 Ca 0.64 -1.50 -0.30 0.00 -1.00 0.00 0.00 55.73 53.57 2nef s ARG 184 Cb -0.20 -4.38 -0.09 0.00 0.00 0.00 0.00 34.95 30.28 2nef s ARG 184 CO 0.27 -1.56 1.32 0.12 0.00 0.00 0.00 175.30 175.44 2nef s PHE 185 N 2.46 3.24 -0.48 5.12 5.36 -1.26 -2.83 117.98 129.59 2nef s PHE 185 Ca 0.16 1.21 0.06 0.00 -0.96 0.00 0.00 56.93 57.41 2nef s PHE 185 Cb -0.19 -3.62 0.22 0.00 -0.34 0.00 0.00 43.02 39.09 2nef s PHE 185 CO 0.02 -1.93 0.73 -3.47 -1.46 0.00 0.00 175.22 169.11 2nef n ASP 186 N 2.55 -2.36 0.01 6.13 2.03 -0.77 -4.97 116.55 119.17 2nef n ASP 186 Ca 0.06 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.37 2nef n ASP 186 Cb 0.43 1.19 0.01 0.00 -0.72 0.00 0.00 41.12 42.03 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2nef n SER 187 N 2.12 0.01 0.28 1.67 3.41 -1.26 -0.12 113.62 119.73 2nef n SER 187 Ca 0.16 0.19 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 2nef n SER 187 Cb 0.58 -0.18 0.83 0.00 -0.26 0.00 0.00 64.21 65.18 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2nef h ARG 188 N 0.00 0.00 0.00 4.33 3.08 -1.93 0.31 114.38 120.17 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nef h ARG 188 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2nef h ARG 188 CO 0.00 0.02 0.00 -0.11 -1.07 0.00 0.00 179.97 178.81 2nef n LEU 189 N -3.99 0.00 0.00 3.04 -0.00 0.82 -1.42 117.00 115.45 2nef n LEU 189 Ca -0.03 0.16 0.11 0.00 -0.00 0.00 0.00 56.01 56.25 2nef n LEU 189 Cb 0.10 -0.16 0.55 0.00 -0.00 0.00 0.00 43.42 43.91 2nef n LEU 189 CO 0.29 -0.14 0.85 0.00 -0.00 0.00 0.00 177.39 178.40 2nef n ALA 190 N -1.16 2.13 0.00 1.96 0.00 0.11 -4.21 120.51 119.33 2nef n ALA 190 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2nef n ALA 190 Cb 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.31 -0.00 -2.25 0.00 3.72 -0.51 -4.99 117.46 112.12 2nef n PHE 191 Ca 0.10 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.13 2nef n PHE 191 Cb 0.18 0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 39.15 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2nef s HIS 192 N -2.00 1.98 -0.91 1.38 2.46 -1.00 -4.87 115.29 112.34 2nef s HIS 192 Ca 0.00 0.29 -0.17 0.00 0.47 0.00 0.00 55.06 55.65 2nef s HIS 192 Cb 0.00 -4.31 -0.11 0.00 -0.13 0.00 0.00 32.58 28.03 2nef s HIS 192 CO 0.00 -2.07 2.03 -2.39 -2.47 0.00 0.00 174.74 169.84 2nef n HIS 193 N 11.58 1.99 -0.04 3.88 1.44 -1.26 -4.59 115.22 128.21 2nef n HIS 193 Ca 0.22 -2.02 -0.13 0.00 -2.01 0.00 0.00 57.72 53.79 2nef n HIS 193 Cb 0.50 -1.82 -0.07 0.00 0.12 0.00 0.00 29.99 28.71 2nef n HIS 193 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2nef h MET 194 N 7.26 0.24 -0.55 -1.40 4.05 -1.90 -1.61 114.93 121.01 2nef h MET 194 Ca 0.47 -0.11 0.10 0.00 -0.28 0.00 0.00 59.70 59.89 2nef h MET 194 Cb 0.55 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.26 2nef h MET 194 CO 1.84 0.59 0.08 0.00 0.23 0.00 0.00 176.91 179.65 2nef h ALA 195 N 0.64 0.60 0.00 0.39 0.00 -1.87 0.22 119.26 119.24 2nef h ALA 195 Ca 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2nef h ALA 195 Cb 0.52 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2nef h ALA 195 CO 0.02 -0.34 -0.19 -0.09 0.00 0.00 0.00 179.25 178.65 2nef h ARG 196 N 0.20 0.00 -0.36 0.00 2.43 -1.82 -2.72 114.38 112.11 2nef h ARG 196 Ca 0.28 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.29 2nef h ARG 196 Cb 0.42 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2nef h ARG 196 CO -0.40 0.19 -0.42 1.49 -1.51 0.00 0.00 179.97 179.33 2nef h GLU 197 N 0.00 0.91 0.00 0.20 4.81 0.41 0.53 114.58 121.45 2nef h GLU 197 Ca -0.00 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 2nef h GLU 197 Cb 0.75 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2nef h GLU 197 CO 0.03 1.15 -0.38 -0.07 -0.73 0.00 0.00 179.01 179.00 2nef h LEU 198 N 0.73 0.00 -5.69 1.64 3.38 -1.11 -3.39 115.31 110.89 2nef h LEU 198 Ca 0.05 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.58 2nef h LEU 198 Cb 1.01 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.46 2nef h LEU 198 CO 0.10 0.38 -0.87 1.41 0.09 0.00 0.00 178.44 179.55 2nef n HIS 199 N -3.30 -1.53 -0.06 1.13 8.25 -1.04 -5.00 115.22 113.66 2nef n HIS 199 Ca 0.01 -2.86 -0.05 0.00 -0.26 0.00 0.00 57.72 54.56 2nef n HIS 199 Cb 0.61 0.40 -0.04 0.00 1.12 0.00 0.00 29.99 32.09 2nef n HIS 199 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2nef h PRO 200 N 4.26 0.00 0.00 -0.41 0.13 -1.09 -3.32 132.00 131.57 2nef h PRO 200 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2nef h PRO 200 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2nef h PRO 200 CO 0.38 0.25 0.01 -0.85 -0.23 0.00 0.00 178.00 177.57 2nef n GLU 201 N -4.69 0.00 0.16 0.86 0.28 -1.26 -1.16 120.64 114.83 2nef n GLU 201 Ca -0.06 0.11 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 2nef n GLU 201 Cb 0.20 -1.51 0.09 0.00 1.43 0.00 0.00 31.44 31.65 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2nef h TYR 202 N 0.00 0.00 -0.08 -1.84 -1.99 -1.95 -3.45 116.97 107.65 2nef h TYR 202 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2nef h TYR 202 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.75 2nef h TYR 202 CO 0.00 0.38 0.00 1.19 -0.00 0.00 0.00 178.16 179.73 2nef n PHE 203 N -3.21 0.00 -3.97 4.88 3.72 -0.31 -5.14 117.46 113.42 2nef n PHE 203 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 2nef n PHE 203 Cb 0.67 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.14 2nef n PHE 203 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2nef s LYS 204 N 2.91 1.16 0.43 -1.08 1.02 -1.26 -5.12 119.74 117.80 2nef s LYS 204 Ca 0.00 -1.20 -0.26 0.00 0.02 0.00 0.00 55.97 54.53 2nef s LYS 204 Cb 0.00 0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 37.59 2nef s LYS 204 CO 0.00 -0.42 1.41 -0.80 -0.92 0.00 0.00 175.35 174.62 2nef s ASN 205 N -2.98 6.04 0.00 2.83 0.01 -1.26 -5.13 114.94 114.45 2nef s ASN 205 Ca 0.18 2.89 0.00 0.00 -0.71 0.00 0.00 52.86 55.22 2nef s ASN 205 Cb 0.03 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2nef s ASN 205 CO 0.01 -1.06 0.00 0.00 -1.51 0.00 0.00 177.10 174.54