#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyu s TYR 2 N 0.00 1.83 -0.40 7.33 2.02 -1.26 -5.03 117.35 121.85 2nyu s TYR 2 Ca 0.00 -0.49 0.26 0.00 -0.37 0.00 0.00 57.07 56.46 2nyu s TYR 2 Cb 0.00 -0.87 1.02 0.00 -0.40 0.00 0.00 41.96 41.71 2nyu s TYR 2 CO 0.00 0.39 1.77 0.00 -1.57 0.00 0.00 175.55 176.13 2nyu h ARG 3 N 2.87 0.00 -2.49 -0.62 3.08 -1.91 -3.45 114.38 111.85 2nyu h ARG 3 Ca -0.40 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.58 2nyu h ARG 3 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.09 2nyu h ARG 3 CO 0.56 0.00 0.06 0.45 -1.07 0.00 0.00 179.97 179.97 2nyu s SER 4 N -4.59 -0.50 0.00 7.04 0.15 -1.26 -4.91 113.70 109.62 2nyu s SER 4 Ca 0.04 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.11 2nyu s SER 4 Cb 0.09 0.49 0.15 0.00 -1.71 0.00 0.00 66.02 65.05 2nyu s SER 4 CO 0.45 -0.64 1.09 -2.11 1.20 0.00 0.00 173.24 173.23 2nyu n ARG 5 N 0.72 0.01 0.30 5.44 1.85 -1.26 -2.74 116.66 120.98 2nyu n ARG 5 Ca -0.19 0.42 0.19 0.00 -1.00 0.00 0.00 57.85 57.27 2nyu n ARG 5 Cb 0.58 -1.50 0.86 0.00 -1.05 0.00 0.00 32.46 31.35 2nyu n ARG 5 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2nyu h SER 6 N 0.00 0.00 -0.81 2.89 4.64 -1.97 -2.46 113.55 115.84 2nyu h SER 6 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 2nyu h SER 6 Cb 0.06 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.03 2nyu h SER 6 CO 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 176.83 176.24 2nyu h ALA 7 N 2.00 1.17 0.00 5.18 0.00 -1.78 -2.89 119.26 122.93 2nyu h ALA 7 Ca -0.00 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2nyu h ALA 7 Cb 0.35 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2nyu h ALA 7 CO 0.00 -0.32 -0.27 0.74 0.00 0.00 0.00 179.25 179.40 2nyu h PHE 8 N 0.35 0.00 -0.23 0.00 0.04 -1.71 -0.27 116.94 115.12 2nyu h PHE 8 Ca 0.48 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.15 2nyu h PHE 8 Cb 0.84 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 2nyu h PHE 8 CO -0.20 0.27 -0.24 0.87 -0.60 0.00 0.00 178.31 178.40 2nyu h LYS 9 N 0.00 0.58 -0.53 1.51 1.57 -1.69 -1.71 116.57 116.30 2nyu h LYS 9 Ca -0.00 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 2nyu h LYS 9 Cb 0.48 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2nyu h LYS 9 CO 0.03 0.90 -0.14 1.25 -0.57 0.00 0.00 179.45 180.93 2nyu h LEU 10 N 0.27 1.04 -0.65 2.94 5.85 -1.35 -1.15 115.31 122.27 2nyu h LEU 10 Ca 0.04 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2nyu h LEU 10 Cb 0.80 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2nyu h LEU 10 CO 0.06 1.16 0.40 -0.07 -0.34 0.00 0.00 178.44 179.65 2nyu h LEU 11 N 0.90 0.65 -0.40 2.25 3.38 -0.93 -0.24 115.31 120.92 2nyu h LEU 11 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2nyu h LEU 11 Cb 0.71 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2nyu h LEU 11 CO 0.05 0.45 -0.09 -0.08 0.09 0.00 0.00 178.44 178.86 2nyu h GLU 12 N 0.78 0.77 -0.52 1.13 4.81 -1.09 0.40 114.58 120.85 2nyu h GLU 12 Ca 0.26 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2nyu h GLU 12 Cb 0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2nyu h GLU 12 CO -0.11 0.90 0.26 0.28 -0.73 0.00 0.00 179.01 179.61 2nyu h VAL 13 N 0.58 1.19 -0.24 0.32 2.07 -0.94 -2.72 116.25 116.50 2nyu h VAL 13 Ca 0.10 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 2nyu h VAL 13 Cb 0.61 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2nyu h VAL 13 CO 0.04 0.21 -0.33 -1.13 0.02 0.00 0.00 177.57 176.38 2nyu h ASN 14 N 0.69 0.52 -0.66 0.57 -1.24 -0.82 -0.97 115.58 113.67 2nyu h ASN 14 Ca 0.18 -0.20 0.04 0.00 0.71 0.00 0.00 56.30 57.02 2nyu h ASN 14 Cb 0.10 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 38.96 2nyu h ASN 14 CO -0.02 0.82 0.40 -0.08 -1.29 0.00 0.00 177.43 177.25 2nyu h GLU 15 N 0.43 0.74 0.24 6.67 4.57 -0.61 0.10 114.58 126.72 2nyu h GLU 15 Ca 0.05 -0.04 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2nyu h GLU 15 Cb 0.79 -0.17 0.03 0.00 -0.16 0.00 0.00 28.75 29.24 2nyu h GLU 15 CO 0.06 0.49 -1.49 0.00 -1.18 0.00 0.00 179.01 176.89 2nyu h ARG 16 N 0.76 0.51 0.00 1.92 3.08 -1.40 -3.38 114.38 115.86 2nyu h ARG 16 Ca 0.27 -0.87 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2nyu h ARG 16 Cb 0.07 0.32 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2nyu h ARG 16 CO -0.13 1.41 -1.29 0.72 -1.07 0.00 0.00 179.97 179.61 2nyu n HIS 17 N -3.69 0.00 -3.42 3.04 8.25 -0.38 -5.02 115.22 114.01 2nyu n HIS 17 Ca -0.17 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.11 2nyu n HIS 17 Cb 1.10 -0.21 0.07 0.00 1.12 0.00 0.00 29.99 32.07 2nyu n HIS 17 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2nyu n GLN 18 N -1.76 -4.12 0.02 -0.41 6.02 0.01 -4.92 117.38 112.23 2nyu n GLN 18 Ca -0.00 0.79 0.11 0.00 -0.01 0.00 0.00 57.00 57.89 2nyu n GLN 18 Cb 0.34 -5.61 -0.05 0.00 1.02 0.00 0.00 30.24 25.94 2nyu n GLN 18 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2nyu n ILE 19 N -3.79 0.14 -4.51 5.09 -5.35 -1.26 -4.87 119.36 104.82 2nyu n ILE 19 Ca -0.18 -0.29 -0.33 0.00 -0.27 0.00 0.00 62.75 61.67 2nyu n ILE 19 Cb 0.64 0.24 -0.15 0.00 -1.74 0.00 0.00 39.64 38.63 2nyu n ILE 19 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2nyu s LEU 20 N -4.04 2.51 0.15 7.28 1.43 -1.26 -4.96 118.68 119.79 2nyu s LEU 20 Ca 0.01 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 2nyu s LEU 20 Cb 0.14 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.81 2nyu s LEU 20 CO 0.84 0.08 0.38 0.00 0.23 0.00 0.00 176.35 177.88 2nyu s ARG 21 N 0.82 1.14 0.20 1.70 1.70 -1.23 -4.81 118.95 118.46 2nyu s ARG 21 Ca -0.05 -0.88 -0.32 0.00 -0.47 0.00 0.00 55.73 54.01 2nyu s ARG 21 Cb -0.15 0.45 -0.15 0.00 -0.57 0.00 0.00 34.95 34.52 2nyu s ARG 21 CO -0.00 -0.44 1.10 -2.30 -1.08 0.00 0.00 175.30 172.57 2nyu n PRO 22 N -0.23 1.13 0.00 3.89 -0.02 -1.13 -2.02 135.00 136.62 2nyu n PRO 22 Ca -0.12 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2nyu n PRO 22 Cb 0.63 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2nyu n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyu n GLY 23 N 1.84 3.39 3.77 -1.23 0.00 -0.86 -4.69 105.19 107.41 2nyu n GLY 23 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2nyu n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nyu s LEU 24 N 0.00 4.23 -0.18 0.99 1.43 -0.86 -4.34 118.68 119.95 2nyu s LEU 24 Ca 0.00 2.32 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 2nyu s LEU 24 Cb 0.00 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 2nyu s LEU 24 CO 0.00 -0.61 0.34 -0.13 0.23 0.00 0.00 176.35 176.18 2nyu s ARG 25 N -2.22 4.23 -0.07 1.70 0.52 -1.26 -1.60 118.95 120.23 2nyu s ARG 25 Ca 0.56 0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.95 2nyu s ARG 25 Cb -0.30 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 2nyu s ARG 25 CO 0.38 0.12 -0.21 0.08 0.02 0.00 0.00 175.30 175.70 2nyu s VAL 26 N 0.81 2.44 -0.21 3.52 1.01 0.11 0.03 120.40 128.11 2nyu s VAL 26 Ca 0.18 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2nyu s VAL 26 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2nyu s VAL 26 CO 0.06 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 175.51 2nyu s LEU 27 N -0.11 3.28 -0.38 3.92 2.96 0.06 -0.80 118.68 127.60 2nyu s LEU 27 Ca -0.04 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2nyu s LEU 27 Cb -0.14 -1.84 0.08 0.00 0.50 0.00 0.00 46.19 44.79 2nyu s LEU 27 CO 0.04 0.05 0.17 -0.62 -1.32 0.00 0.00 176.35 174.67 2nyu s ASP 28 N 1.09 5.31 0.01 3.68 2.15 0.94 -0.35 116.67 129.49 2nyu s ASP 28 Ca 0.03 -1.63 -0.20 0.00 0.43 0.00 0.00 52.55 51.17 2nyu s ASP 28 Cb -0.14 -1.86 -0.06 0.00 -0.30 0.00 0.00 42.92 40.56 2nyu s ASP 28 CO 0.02 -0.47 0.59 0.00 -0.17 0.00 0.00 175.17 175.14 2nyu n GLY 30 N 2.33 -0.02 0.18 0.00 0.00 -0.30 -1.48 105.19 105.91 2nyu n GLY 30 Ca -0.07 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2nyu n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyu h ALA 31 N 0.57 1.00 -2.75 4.61 0.00 -1.28 -3.43 119.26 117.98 2nyu h ALA 31 Ca -0.35 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 2nyu h ALA 31 Cb 1.21 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.03 2nyu h ALA 31 CO 0.31 0.00 0.49 0.00 0.00 0.00 0.00 179.25 180.05 2nyu s ALA 32 N -3.32 3.32 -0.76 0.00 0.00 -1.26 -0.14 121.76 119.60 2nyu s ALA 32 Ca 0.06 0.91 0.26 0.00 0.00 0.00 0.00 51.96 53.19 2nyu s ALA 32 Cb 0.09 -3.34 0.91 0.00 0.00 0.00 0.00 23.12 20.78 2nyu s ALA 32 CO 0.55 -0.28 1.79 -0.35 0.00 0.00 0.00 175.76 177.46 2nyu n PRO 33 N 0.74 0.19 0.00 0.00 -0.04 -1.26 -4.92 135.00 129.71 2nyu n PRO 33 Ca 0.01 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2nyu n PRO 33 Cb 0.46 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2nyu n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nyu n GLY 34 N 1.10 1.04 0.25 0.55 0.00 0.80 -4.46 105.19 104.48 2nyu n GLY 34 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2nyu n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyu h ALA 35 N 0.00 0.58 -0.52 4.61 0.00 -1.89 0.10 119.26 122.14 2nyu h ALA 35 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2nyu h ALA 35 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2nyu h ALA 35 CO 0.00 0.57 -0.02 -1.49 0.00 0.00 0.00 179.25 178.31 2nyu h TRP 36 N 0.70 0.96 -0.82 0.00 4.06 -1.87 -1.61 115.95 117.36 2nyu h TRP 36 Ca 0.09 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 2nyu h TRP 36 Cb 0.81 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 2nyu h TRP 36 CO 0.06 0.88 0.40 0.77 -3.56 0.00 0.00 178.44 176.99 2nyu h SER 37 N 0.82 1.07 -0.33 -3.49 0.02 -1.78 -0.09 113.55 109.78 2nyu h SER 37 Ca 0.15 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2nyu h SER 37 Cb 0.52 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2nyu h SER 37 CO 0.03 0.90 0.14 1.56 -1.14 0.00 0.00 176.83 178.32 2nyu h GLN 38 N 1.17 0.28 -0.29 3.45 4.20 -0.23 0.11 115.11 123.79 2nyu h GLN 38 Ca 0.28 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.00 2nyu h GLN 38 Cb 0.11 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2nyu h GLN 38 CO -0.04 0.19 0.14 0.28 -0.67 0.00 0.00 178.83 178.73 2nyu h VAL 39 N 0.29 0.98 -0.27 -0.54 2.07 -1.11 -2.33 116.25 115.33 2nyu h VAL 39 Ca 0.14 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2nyu h VAL 39 Cb 0.09 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2nyu h VAL 39 CO -0.13 0.05 0.16 0.00 0.02 0.00 0.00 177.57 177.67 2nyu h ALA 40 N 1.16 0.35 -0.53 1.67 0.00 -0.70 -0.65 119.26 120.55 2nyu h ALA 40 Ca 0.12 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2nyu h ALA 40 Cb 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2nyu h ALA 40 CO -0.09 -0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.57 2nyu h VAL 41 N 0.33 0.94 0.22 0.00 2.07 -0.64 -0.52 116.25 118.65 2nyu h VAL 41 Ca 0.10 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2nyu h VAL 41 Cb 0.04 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2nyu h VAL 41 CO -0.02 0.09 -0.13 1.56 0.02 0.00 0.00 177.57 179.10 2nyu h GLN 42 N 0.52 -0.32 0.00 1.57 4.20 -0.92 -1.54 115.11 118.63 2nyu h GLN 42 Ca 0.24 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 2nyu h GLN 42 Cb 0.16 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2nyu h GLN 42 CO -0.17 -0.21 -0.43 0.87 -0.67 0.00 0.00 178.83 178.22 2nyu h LYS 43 N -0.33 0.00 -0.45 1.46 1.79 -0.61 -2.63 116.57 115.80 2nyu h LYS 43 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2nyu h LYS 43 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2nyu h LYS 43 CO 0.03 0.43 0.00 1.33 -1.08 0.00 0.00 179.45 180.16 2nyu n VAL 44 N -3.40 0.64 -3.48 0.50 0.24 -0.25 -2.85 118.33 109.75 2nyu n VAL 44 Ca 0.01 -0.82 -0.24 0.00 -2.04 0.00 0.00 64.34 61.24 2nyu n VAL 44 Cb 0.60 0.84 0.07 0.00 -1.47 0.00 0.00 33.84 33.88 2nyu n VAL 44 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2nyu n ASN 45 N 1.40 -6.27 0.25 -1.34 5.15 -0.87 -0.29 115.26 113.29 2nyu n ASN 45 Ca 0.19 -0.49 0.13 0.00 -0.60 0.00 0.00 54.58 53.82 2nyu n ASN 45 Cb 0.58 -4.96 0.63 0.00 -0.53 0.00 0.00 39.78 35.50 2nyu n ASN 45 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nyu h ALA 46 N 1.02 1.07 -0.01 5.20 0.00 -1.50 -1.99 119.26 123.04 2nyu h ALA 46 Ca -0.56 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2nyu h ALA 46 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2nyu h ALA 46 CO 0.57 0.15 -0.13 0.00 0.00 0.00 0.00 179.25 179.84 2nyu n ALA 47 N -2.19 2.83 -1.00 0.00 0.00 -1.26 -4.71 120.51 114.18 2nyu n ALA 47 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 52.97 2nyu n ALA 47 Cb 0.33 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 2nyu n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nyu n GLY 48 N 1.27 0.37 0.44 0.00 0.00 -0.75 -4.90 105.19 101.61 2nyu n GLY 48 Ca 0.15 -0.02 0.26 0.00 0.00 0.00 0.00 46.02 46.41 2nyu n GLY 48 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nyu h THR 49 N 0.00 0.49 -3.23 2.61 2.02 -1.92 -3.27 112.91 109.62 2nyu h THR 49 Ca -0.00 -0.10 -0.74 0.00 0.77 0.00 0.00 66.41 66.34 2nyu h THR 49 Cb 0.28 0.18 -0.25 0.00 -1.74 0.00 0.00 68.15 66.62 2nyu h THR 49 CO 0.00 0.05 -0.31 -0.62 0.37 0.00 0.00 175.52 175.01 2nyu s ASP 50 N -5.25 6.00 0.24 4.18 2.15 -1.26 -4.95 116.67 117.78 2nyu s ASP 50 Ca -0.08 -1.68 0.19 0.00 0.43 0.00 0.00 52.55 51.41 2nyu s ASP 50 Cb 0.25 -2.13 0.93 0.00 -0.30 0.00 0.00 42.92 41.66 2nyu s ASP 50 CO 0.80 -0.74 1.59 -2.65 -0.17 0.00 0.00 175.17 174.00 2nyu n PRO 51 N 5.12 0.13 -0.00 4.34 -0.02 -1.24 -2.71 135.00 140.62 2nyu n PRO 51 Ca -0.12 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 2nyu n PRO 51 Cb 0.41 -1.84 0.58 0.00 -0.02 0.00 0.00 33.50 32.63 2nyu n PRO 51 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2nyu n SER 52 N -2.10 1.28 -4.04 2.55 3.41 -1.26 -4.90 113.62 108.54 2nyu n SER 52 Ca 0.00 -1.44 -0.12 0.00 -0.26 0.00 0.00 58.87 57.05 2nyu n SER 52 Cb 0.11 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.94 2nyu n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2nyu s SER 53 N -1.97 0.74 0.63 4.04 0.01 -1.10 -5.14 113.70 110.91 2nyu s SER 53 Ca 0.39 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 56.95 2nyu s SER 53 Cb 0.21 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 2nyu s SER 53 CO 0.33 -0.21 0.89 -2.65 0.41 0.00 0.00 173.24 172.01 2nyu n PRO 54 N 1.53 0.73 -3.62 12.44 -0.02 -1.26 -4.93 135.00 139.87 2nyu n PRO 54 Ca -0.23 0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 2nyu n PRO 54 Cb 0.55 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2nyu n PRO 54 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nyu s VAL 55 N -1.61 4.88 0.00 -1.45 1.01 -1.26 -2.88 120.40 119.09 2nyu s VAL 55 Ca 0.75 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2nyu s VAL 55 Cb -0.40 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2nyu s VAL 55 CO 0.48 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2nyu n GLY 56 N 5.03 -0.32 3.24 4.51 0.00 0.60 -4.38 105.19 113.87 2nyu n GLY 56 Ca -0.14 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 2nyu n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nyu s PHE 57 N 0.13 -0.34 -0.06 1.61 5.36 -0.63 -4.38 117.98 119.66 2nyu s PHE 57 Ca 0.00 0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 56.76 2nyu s PHE 57 Cb 0.00 0.13 0.03 0.00 -0.34 0.00 0.00 43.02 42.83 2nyu s PHE 57 CO 0.00 -0.23 -0.01 0.08 -1.46 0.00 0.00 175.22 173.60 2nyu s VAL 58 N -0.16 0.38 -0.18 3.12 1.01 -1.26 0.06 120.40 123.37 2nyu s VAL 58 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2nyu s VAL 58 Cb -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2nyu s VAL 58 CO 0.01 0.24 -0.17 -0.22 0.00 0.00 0.00 175.10 174.97 2nyu s LEU 59 N 1.67 2.07 -0.04 3.92 2.96 0.02 -0.84 118.68 128.44 2nyu s LEU 59 Ca 0.00 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2nyu s LEU 59 Cb -0.13 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 2nyu s LEU 59 CO -0.04 -0.04 0.11 -0.83 -1.32 0.00 0.00 176.35 174.23 2nyu s GLY 60 N 1.36 2.07 -0.04 7.98 0.00 -0.27 -0.04 107.32 118.38 2nyu s GLY 60 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2nyu s GLY 60 CO -0.11 -0.63 -0.09 0.14 0.00 0.00 0.00 173.10 172.41 2nyu s VAL 61 N -1.16 0.79 0.08 1.40 1.01 -0.17 -0.76 120.40 121.59 2nyu s VAL 61 Ca 0.21 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 2nyu s VAL 61 Cb -0.12 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.57 2nyu s VAL 61 CO 0.12 0.26 0.43 -0.62 0.00 0.00 0.00 175.10 175.28 2nyu s ASP 62 N 0.41 -0.29 0.40 3.32 -1.08 -0.96 -1.15 116.67 117.32 2nyu s ASP 62 Ca -0.07 -0.10 0.07 0.00 -0.52 0.00 0.00 52.55 51.94 2nyu s ASP 62 Cb -0.11 0.46 0.82 0.00 -1.46 0.00 0.00 42.92 42.63 2nyu s ASP 62 CO 0.01 -0.75 2.01 -0.07 0.52 0.00 0.00 175.17 176.89 2nyu h LEU 63 N 2.72 0.41-10.08 -1.34 3.38 -1.86 -0.44 115.31 108.09 2nyu h LEU 63 Ca -0.32 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.09 2nyu h LEU 63 Cb 1.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2nyu h LEU 63 CO 0.44 0.37 -0.23 -0.76 0.09 0.00 0.00 178.44 178.35 2nyu s LEU 64 N -9.27 4.14 0.36 1.67 1.43 -1.26 -4.41 118.68 111.34 2nyu s LEU 64 Ca -0.08 0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 53.31 2nyu s LEU 64 Cb 0.17 -3.36 -0.11 0.00 0.03 0.00 0.00 46.19 42.92 2nyu s LEU 64 CO 0.73 -0.12 1.40 -2.28 0.23 0.00 0.00 176.35 176.32 2nyu s HIS 65 N -1.97 2.81 -0.14 0.29 5.65 -1.26 -4.73 115.29 115.94 2nyu s HIS 65 Ca 0.41 1.29 0.02 0.00 0.25 0.00 0.00 55.06 57.03 2nyu s HIS 65 Cb -0.11 -3.86 0.00 0.00 -1.18 0.00 0.00 32.58 27.44 2nyu s HIS 65 CO 0.29 -2.45 -0.19 0.42 -0.65 0.00 0.00 174.74 172.16 2nyu s ILE 66 N -1.13 2.31 0.35 0.89 1.01 -1.26 -4.89 121.20 118.47 2nyu s ILE 66 Ca 0.51 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 2nyu s ILE 66 Cb -0.43 -1.94 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 2nyu s ILE 66 CO 0.58 0.54 1.33 -0.36 0.00 0.00 0.00 174.94 177.03 2nyu s PHE 67 N 0.74 2.96 0.42 3.97 0.08 -1.26 -4.93 117.98 119.96 2nyu s PHE 67 Ca -0.08 1.38 -0.24 0.00 0.12 0.00 0.00 56.93 58.11 2nyu s PHE 67 Cb -0.16 -3.73 -0.11 0.00 -0.57 0.00 0.00 43.02 38.46 2nyu s PHE 67 CO 0.00 -2.04 0.96 -2.30 -0.10 0.00 0.00 175.22 171.75 2nyu n PRO 68 N 0.67 1.26 -4.11 0.24 -0.02 -1.26 -5.01 135.00 126.77 2nyu n PRO 68 Ca 0.01 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.72 2nyu n PRO 68 Cb 0.42 -1.98 -0.17 0.00 -0.02 0.00 0.00 33.50 31.75 2nyu n PRO 68 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2nyu s LEU 69 N -0.31 1.22 0.09 2.45 2.96 -1.26 -5.11 118.68 118.71 2nyu s LEU 69 Ca 0.63 -0.15 -0.31 0.00 -0.22 0.00 0.00 54.13 54.08 2nyu s LEU 69 Cb -0.56 -0.51 -0.11 0.00 0.50 0.00 0.00 46.19 45.51 2nyu s LEU 69 CO 0.57 -0.08 1.86 1.21 -1.32 0.00 0.00 176.35 178.60 2nyu n GLU 70 N 4.29 2.75 -0.13 1.98 4.07 -1.26 -1.79 120.64 130.54 2nyu n GLU 70 Ca -0.21 1.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 2nyu n GLU 70 Cb 0.51 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 28.98 2nyu n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nyu n GLY 71 N 4.29 0.56 3.29 8.31 0.00 -1.26 -4.75 105.19 115.63 2nyu n GLY 71 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2nyu n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyu s ALA 72 N -2.27 1.82 -0.03 4.61 0.00 -0.74 -4.14 121.76 121.01 2nyu s ALA 72 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.67 2nyu s ALA 72 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2nyu s ALA 72 CO 0.00 0.30 -0.09 0.99 0.00 0.00 0.00 175.76 176.96 2nyu s THR 73 N -1.51 3.52 -0.00 0.00 2.01 -0.02 -4.62 115.64 115.02 2nyu s THR 73 Ca 0.09 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2nyu s THR 73 Cb -0.08 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 2nyu s THR 73 CO 0.05 0.49 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.91 2nyu s PHE 74 N -0.89 1.73 -0.32 4.92 0.08 -1.26 -1.11 117.98 121.12 2nyu s PHE 74 Ca 0.15 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 2nyu s PHE 74 Cb -0.11 -1.09 0.05 0.00 -0.57 0.00 0.00 43.02 41.30 2nyu s PHE 74 CO 0.04 -0.00 0.05 -0.51 -0.10 0.00 0.00 175.22 174.70 2nyu s LEU 75 N -0.63 4.16 -0.21 -0.37 1.43 0.06 -4.97 118.68 118.16 2nyu s LEU 75 Ca 0.07 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 51.65 2nyu s LEU 75 Cb -0.08 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.43 2nyu s LEU 75 CO -0.00 -0.31 0.58 0.00 0.23 0.00 0.00 176.35 176.85 2nyu s PRO 77 N 0.20 4.57 -0.29 0.00 0.04 -1.26 -4.94 135.00 133.31 2nyu s PRO 77 Ca -0.01 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 2nyu s PRO 77 Cb -0.04 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.45 2nyu s PRO 77 CO 0.01 0.11 0.66 0.00 0.04 0.00 0.00 177.00 177.83 2nyu s ALA 78 N -1.16 -1.99 -0.26 8.56 0.00 -0.18 -4.96 121.76 121.78 2nyu s ALA 78 Ca 0.46 2.38 -0.23 0.00 0.00 0.00 0.00 51.96 54.57 2nyu s ALA 78 Cb -0.34 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 2nyu s ALA 78 CO 0.44 -0.73 0.75 0.34 0.00 0.00 0.00 175.76 176.56 2nyu s ASP 79 N 2.45 6.71 0.64 0.00 -1.08 -1.26 -3.03 116.67 121.09 2nyu s ASP 79 Ca -0.07 0.85 0.36 0.00 -0.52 0.00 0.00 52.55 53.16 2nyu s ASP 79 Cb -0.09 -2.40 2.01 0.00 -1.46 0.00 0.00 42.92 40.98 2nyu s ASP 79 CO -0.19 -0.48 2.21 0.58 0.52 0.00 0.00 175.17 177.80 2nyu h VAL 80 N 5.46 0.20 -0.00 1.11 2.07 -1.94 -1.62 116.25 121.53 2nyu h VAL 80 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2nyu h VAL 80 Cb 1.10 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2nyu h VAL 80 CO 0.84 0.00 -0.53 0.35 0.02 0.00 0.00 177.57 178.25 2nyu n THR 81 N -3.35 0.00 -2.54 2.57 -2.24 -1.26 -4.70 114.28 102.76 2nyu n THR 81 Ca -0.02 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2nyu n THR 81 Cb 0.19 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2nyu n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nyu s ASP 82 N -2.98 7.12 0.56 3.42 -1.08 -0.61 -4.93 116.67 118.17 2nyu s ASP 82 Ca 0.11 1.71 0.30 0.00 -0.52 0.00 0.00 52.55 54.16 2nyu s ASP 82 Cb 0.17 -2.56 1.46 0.00 -1.46 0.00 0.00 42.92 40.54 2nyu s ASP 82 CO 0.71 -0.54 1.87 -0.65 0.52 0.00 0.00 175.17 177.08 2nyu h PRO 83 N 7.33 0.00 -0.47 4.34 0.11 -1.89 -0.29 132.00 141.14 2nyu h PRO 83 Ca -0.33 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 2nyu h PRO 83 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2nyu h PRO 83 CO 0.87 0.00 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.46 2nyu h ARG 84 N 0.00 0.91 -0.71 1.05 2.43 -1.92 -2.86 114.38 113.27 2nyu h ARG 84 Ca 0.33 -0.35 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2nyu h ARG 84 Cb 1.51 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.94 2nyu h ARG 84 CO -0.00 1.00 0.34 1.15 -1.51 0.00 0.00 179.97 180.95 2nyu h THR 85 N 0.76 0.81 -0.80 0.20 2.02 -1.29 -0.32 112.91 114.29 2nyu h THR 85 Ca 0.12 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2nyu h THR 85 Cb 0.67 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2nyu h THR 85 CO 0.05 0.10 0.49 0.28 0.37 0.00 0.00 175.52 176.81 2nyu h SER 86 N 0.57 0.95 -0.52 4.18 0.02 -1.47 -0.40 113.55 116.88 2nyu h SER 86 Ca 0.36 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2nyu h SER 86 Cb 0.41 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2nyu h SER 86 CO -0.29 0.73 0.31 1.56 -1.14 0.00 0.00 176.83 178.00 2nyu h GLN 87 N 1.09 0.71 -0.83 3.45 1.08 -1.16 -0.04 115.11 119.41 2nyu h GLN 87 Ca 0.29 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.47 2nyu h GLN 87 Cb -0.05 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.18 2nyu h GLN 87 CO -0.05 0.53 0.55 0.00 -0.95 0.00 0.00 178.83 178.90 2nyu h ARG 88 N 0.70 0.92 -0.04 1.46 3.08 -0.70 -1.32 114.38 118.49 2nyu h ARG 88 Ca 0.19 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2nyu h ARG 88 Cb 0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 2nyu h ARG 88 CO -0.03 0.61 0.01 0.82 -1.07 0.00 0.00 179.97 180.31 2nyu h ILE 89 N 0.95 1.17 -0.52 2.04 2.04 -0.52 -2.90 117.51 119.77 2nyu h ILE 89 Ca 0.35 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2nyu h ILE 89 Cb 0.17 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2nyu h ILE 89 CO -0.12 0.14 0.28 -0.07 0.00 0.00 0.00 178.15 178.38 2nyu h LEU 90 N -0.14 0.63 -1.34 1.44 3.38 -0.64 -0.71 115.31 117.92 2nyu h LEU 90 Ca 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2nyu h LEU 90 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2nyu h LEU 90 CO -0.00 0.51 -0.24 -0.33 0.09 0.00 0.00 178.44 178.46 2nyu h GLU 91 N 0.71 0.00 0.00 1.13 5.08 -1.15 -3.30 114.58 117.05 2nyu h GLU 91 Ca 0.18 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.18 2nyu h GLU 91 Cb 0.02 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 2nyu h GLU 91 CO -0.03 0.24 -2.37 0.28 -1.00 0.00 0.00 179.01 176.13 2nyu n VAL 92 N -3.57 1.38 -2.13 3.13 0.31 -0.69 -4.95 118.33 111.81 2nyu n VAL 92 Ca -0.01 -0.74 -0.42 0.00 -0.01 0.00 0.00 64.34 63.16 2nyu n VAL 92 Cb 0.39 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 2nyu n VAL 92 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nyu s LEU 93 N -5.78 4.38 0.02 7.52 1.43 -0.36 -4.92 118.68 120.97 2nyu s LEU 93 Ca -0.18 2.42 -0.36 0.00 -1.03 0.00 0.00 54.13 54.98 2nyu s LEU 93 Cb 0.07 -3.60 -0.15 0.00 0.03 0.00 0.00 46.19 42.54 2nyu s LEU 93 CO 0.73 -0.66 1.55 -2.65 0.23 0.00 0.00 176.35 175.55 2nyu n PRO 94 N 3.52 1.56 -1.12 1.29 -0.02 -1.26 -1.12 135.00 137.84 2nyu n PRO 94 Ca 0.10 0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 62.11 2nyu n PRO 94 Cb 0.42 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2nyu n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyu n GLY 95 N 3.31 0.62 2.64 -1.23 0.00 -1.26 -3.06 105.19 106.21 2nyu n GLY 95 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2nyu n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nyu n ARG 96 N -1.68 -2.61 -3.86 1.61 1.74 -0.28 -4.98 116.66 106.60 2nyu n ARG 96 Ca -0.04 0.68 -0.09 0.00 -0.77 0.00 0.00 57.85 57.62 2nyu n ARG 96 Cb 0.29 -5.33 -0.08 0.00 -1.02 0.00 0.00 32.46 26.31 2nyu n ARG 96 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2nyu s ARG 97 N -5.26 0.76 0.14 5.56 1.81 -1.17 -4.74 118.95 116.04 2nyu s ARG 97 Ca 0.09 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.35 2nyu s ARG 97 Cb -0.05 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.72 2nyu s ARG 97 CO 0.12 -0.23 -0.04 0.00 -0.68 0.00 0.00 175.30 174.47 2nyu s ALA 98 N -3.26 3.11 -0.10 2.13 0.00 0.15 -4.54 121.76 119.25 2nyu s ALA 98 Ca 0.00 -1.30 0.16 0.00 0.00 0.00 0.00 51.96 50.82 2nyu s ALA 98 Cb 0.02 -0.97 -0.18 0.00 0.00 0.00 0.00 23.12 21.99 2nyu s ALA 98 CO -0.08 0.57 0.69 -0.25 0.00 0.00 0.00 175.76 176.69 2nyu n ASP 99 N 0.27 0.75 -3.75 0.00 8.00 0.10 -0.51 116.55 121.41 2nyu n ASP 99 Ca -0.11 0.34 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 2nyu n ASP 99 Cb 0.54 0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.71 2nyu n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2nyu s VAL 100 N -2.80 -0.04 -0.23 2.53 1.01 -0.85 -1.38 120.40 118.64 2nyu s VAL 100 Ca -0.04 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2nyu s VAL 100 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 2nyu s VAL 100 CO 0.82 0.12 0.02 -0.63 0.00 0.00 0.00 175.10 175.43 2nyu s ILE 101 N 1.32 3.93 -0.04 2.22 1.01 0.30 -0.76 121.20 129.18 2nyu s ILE 101 Ca -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2nyu s ILE 101 Cb -0.13 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2nyu s ILE 101 CO -0.03 0.38 -0.05 -0.76 0.00 0.00 0.00 174.94 174.48 2nyu s LEU 102 N 1.46 3.25 -0.05 2.97 1.43 0.52 -0.69 118.68 127.58 2nyu s LEU 102 Ca 0.05 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2nyu s LEU 102 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 2nyu s LEU 102 CO 0.01 0.33 0.04 -0.55 0.23 0.00 0.00 176.35 176.41 2nyu s SER 103 N -1.06 1.11 -0.22 2.29 0.15 0.17 -0.43 113.70 115.71 2nyu s SER 103 Ca 0.15 0.02 0.11 0.00 0.70 0.00 0.00 55.95 56.93 2nyu s SER 103 Cb -0.11 -0.22 0.43 0.00 -1.71 0.00 0.00 66.02 64.40 2nyu s SER 103 CO 0.04 -0.21 1.21 -0.67 1.20 0.00 0.00 173.24 174.81 2nyu n ASP 104 N 5.07 2.22 -4.78 5.45 2.03 -0.55 -1.11 116.55 124.89 2nyu n ASP 104 Ca -0.08 -3.81 -0.38 0.00 0.52 0.00 0.00 54.79 51.04 2nyu n ASP 104 Cb 0.50 -0.49 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 2nyu n ASP 104 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2nyu s MET 105 N -3.20 4.33 -0.07 -0.67 -1.94 -1.25 -4.83 119.30 111.67 2nyu s MET 105 Ca 0.40 1.57 -0.14 0.00 -1.71 0.00 0.00 55.69 55.81 2nyu s MET 105 Cb 0.38 -2.74 0.03 0.00 2.01 0.00 0.00 34.83 34.51 2nyu s MET 105 CO -0.05 -0.00 0.34 0.00 -0.01 0.00 0.00 175.02 175.29 2nyu s ALA 106 N -1.52 -0.85 0.78 3.03 0.00 -1.26 -4.87 121.76 117.07 2nyu s ALA 106 Ca 0.53 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 2nyu s ALA 106 Cb -0.24 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.70 2nyu s ALA 106 CO 0.31 -0.22 1.14 -1.25 0.00 0.00 0.00 175.76 175.74 2nyu s PRO 107 N -0.58 1.97 0.27 0.00 0.04 -1.26 -4.97 135.00 130.48 2nyu s PRO 107 Ca -0.07 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 2nyu s PRO 107 Cb -0.04 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2nyu s PRO 107 CO 0.03 -1.90 1.33 1.21 0.04 0.00 0.00 177.00 177.70 2nyu s ASN 108 N -2.74 6.81 0.47 6.66 3.84 -1.26 -4.95 114.94 123.78 2nyu s ASN 108 Ca 0.67 2.58 -0.23 0.00 0.21 0.00 0.00 52.86 56.08 2nyu s ASN 108 Cb -0.22 -2.63 -0.07 0.00 -0.55 0.00 0.00 41.25 37.78 2nyu s ASN 108 CO 0.52 -0.55 1.23 0.00 -2.79 0.00 0.00 177.10 175.51 2nyu s ALA 109 N -0.51 2.98 -0.12 1.71 0.00 -1.26 -4.94 121.76 119.61 2nyu s ALA 109 Ca 0.53 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.61 2nyu s ALA 109 Cb -0.39 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.23 2nyu s ALA 109 CO 0.46 -0.84 0.15 0.25 0.00 0.00 0.00 175.76 175.78 2nyu n THR 110 N -0.51 0.00 -0.44 0.00 -2.24 -1.26 -4.99 114.28 104.84 2nyu n THR 110 Ca 0.07 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2nyu n THR 110 Cb 0.47 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2nyu n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nyu n GLY 111 N 1.61 1.29 3.42 3.38 0.00 -1.26 -5.01 105.19 108.62 2nyu n GLY 111 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2nyu n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nyu s PHE 112 N -3.13 3.25 -0.01 1.61 0.08 -1.26 -5.00 117.98 113.52 2nyu s PHE 112 Ca 0.00 -0.79 -0.24 0.00 0.12 0.00 0.00 56.93 56.02 2nyu s PHE 112 Cb 0.00 -2.82 -0.16 0.00 -0.57 0.00 0.00 43.02 39.47 2nyu s PHE 112 CO 0.00 -0.69 1.11 0.00 -0.10 0.00 0.00 175.22 175.54 2nyu h ARG 113 N 8.65 -0.39 -0.54 0.44 3.08 -1.99 0.29 114.38 123.92 2nyu h ARG 113 Ca -0.27 0.03 0.08 0.00 0.07 0.00 0.00 59.98 59.88 2nyu h ARG 113 Cb 1.11 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.19 2nyu h ARG 113 CO 0.78 -0.05 0.20 -0.44 -1.07 0.00 0.00 179.97 179.39 2nyu h ASP 114 N -0.83 0.21 -0.21 7.04 5.19 -1.99 -0.79 116.42 125.04 2nyu h ASP 114 Ca -0.04 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2nyu h ASP 114 Cb 0.52 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 2nyu h ASP 114 CO 0.07 0.14 0.09 0.25 -3.12 0.00 0.00 179.24 176.67 2nyu h LEU 115 N 0.38 0.13 -0.61 1.55 6.46 -1.97 0.16 115.31 121.42 2nyu h LEU 115 Ca 0.26 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2nyu h LEU 115 Cb 0.29 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 2nyu h LEU 115 CO -0.26 0.11 0.30 0.44 -0.62 0.00 0.00 178.44 178.40 2nyu h ASP 116 N 0.20 0.79 -0.33 1.25 3.32 -0.61 -0.66 116.42 120.38 2nyu h ASP 116 Ca 0.09 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2nyu h ASP 116 Cb 0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2nyu h ASP 116 CO -0.07 0.69 0.18 0.45 -1.72 0.00 0.00 179.24 178.77 2nyu h HIS 117 N 0.83 0.45 -0.74 4.55 3.86 -0.96 -1.50 115.15 121.64 2nyu h HIS 117 Ca 0.21 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2nyu h HIS 117 Cb 0.11 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2nyu h HIS 117 CO -0.00 0.37 0.21 -0.44 0.86 0.00 0.00 177.93 178.93 2nyu h ASP 118 N 0.41 1.09 -0.72 2.45 3.32 -0.53 -1.12 116.42 121.31 2nyu h ASP 118 Ca 0.11 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2nyu h ASP 118 Cb 0.07 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2nyu h ASP 118 CO -0.02 1.02 0.30 0.03 -1.72 0.00 0.00 179.24 178.85 2nyu h ARG 119 N 1.10 1.09 -0.38 3.56 3.08 -1.02 0.06 114.38 121.87 2nyu h ARG 119 Ca 0.23 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2nyu h ARG 119 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2nyu h ARG 119 CO -0.00 0.88 0.18 1.25 -1.07 0.00 0.00 179.97 181.21 2nyu h LEU 120 N 1.07 0.51 -0.61 3.04 5.85 -0.75 -1.73 115.31 122.68 2nyu h LEU 120 Ca 0.25 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2nyu h LEU 120 Cb 0.20 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2nyu h LEU 120 CO -0.02 0.50 0.24 0.40 -0.34 0.00 0.00 178.44 179.22 2nyu h ILE 121 N 0.48 1.23 -0.89 4.05 2.04 -1.01 -2.48 117.51 120.93 2nyu h ILE 121 Ca 0.13 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.32 2nyu h ILE 121 Cb 0.13 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2nyu h ILE 121 CO -0.02 0.29 0.56 -1.28 0.00 0.00 0.00 178.15 177.70 2nyu h SER 122 N 0.86 0.88 -0.16 1.72 0.87 -0.79 -1.04 113.55 115.89 2nyu h SER 122 Ca 0.20 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2nyu h SER 122 Cb 0.21 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2nyu h SER 122 CO -0.02 0.56 -0.01 0.25 -0.53 0.00 0.00 176.83 177.08 2nyu h LEU 123 N 1.01 -0.09 -0.43 2.23 5.85 -1.08 -1.64 115.31 121.17 2nyu h LEU 123 Ca 0.39 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.18 2nyu h LEU 123 Cb 0.17 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2nyu h LEU 123 CO -0.17 -0.02 0.20 0.00 -0.34 0.00 0.00 178.44 178.11 2nyu h LEU 125 N 0.41 1.15 -0.46 0.00 3.38 -0.97 -0.12 115.31 118.70 2nyu h LEU 125 Ca 0.19 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2nyu h LEU 125 Cb 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2nyu h LEU 125 CO -0.14 0.85 -0.36 0.74 0.09 0.00 0.00 178.44 179.62 2nyu h THR 126 N 1.34 1.27 -0.53 0.22 2.02 -0.96 -1.09 112.91 115.18 2nyu h THR 126 Ca 0.36 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.91 2nyu h THR 126 Cb -0.12 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2nyu h THR 126 CO -0.07 0.51 -0.04 0.25 0.37 0.00 0.00 175.52 176.54 2nyu h LEU 127 N 0.73 0.96 -1.60 2.58 5.85 -0.96 -2.38 115.31 120.49 2nyu h LEU 127 Ca 0.07 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2nyu h LEU 127 Cb 0.94 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2nyu h LEU 127 CO 0.09 1.05 -0.20 0.25 -0.34 0.00 0.00 178.44 179.29 2nyu h LEU 128 N 0.84 0.00 -0.44 2.25 5.85 -0.65 -1.71 115.31 121.45 2nyu h LEU 128 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2nyu h LEU 128 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2nyu h LEU 128 CO 0.03 0.20 0.00 0.77 -0.34 0.00 0.00 178.44 179.11 2nyu h SER 129 N 0.00 0.00 -0.01 1.25 4.64 -0.67 -2.83 113.55 115.93 2nyu h SER 129 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nyu h SER 129 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2nyu h SER 129 CO 0.03 0.00 -0.45 1.33 -0.87 0.00 0.00 176.83 176.87 2nyu n VAL 130 N -2.37 0.00 -0.33 0.95 0.24 -0.69 -4.56 118.33 111.56 2nyu n VAL 130 Ca 0.03 -0.28 0.04 0.00 -2.04 0.00 0.00 64.34 62.09 2nyu n VAL 130 Cb 0.33 1.14 0.22 0.00 -1.47 0.00 0.00 33.84 34.06 2nyu n VAL 130 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2nyu h THR 131 N 1.33 1.07 -0.97 3.34 2.02 -1.16 -2.71 112.91 115.83 2nyu h THR 131 Ca 0.00 -0.37 0.26 0.00 0.77 0.00 0.00 66.41 67.07 2nyu h THR 131 Cb 0.50 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 2nyu h THR 131 CO 0.00 0.20 0.67 -0.65 0.37 0.00 0.00 175.52 176.11 2nyu h PRO 132 N 1.08 0.13 0.00 6.66 0.11 -1.80 0.29 132.00 138.47 2nyu h PRO 132 Ca 0.41 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.42 2nyu h PRO 132 Cb 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2nyu h PRO 132 CO -0.16 0.09 -0.58 -0.44 -0.21 0.00 0.00 178.00 176.69 2nyu h ASP 133 N 0.14 0.00 0.00 -2.05 3.32 -1.82 -3.39 116.42 112.62 2nyu h ASP 133 Ca 0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.37 2nyu h ASP 133 Cb 1.67 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.19 2nyu h ASP 133 CO -0.08 0.43 -1.63 -0.38 -1.72 0.00 0.00 179.24 175.86 2nyu n ILE 134 N -3.14 0.63 -3.50 0.35 5.41 -0.15 -4.88 119.36 114.08 2nyu n ILE 134 Ca 0.01 -0.31 -0.37 0.00 1.00 0.00 0.00 62.75 63.07 2nyu n ILE 134 Cb 0.72 -0.83 -0.07 0.00 -0.71 0.00 0.00 39.64 38.74 2nyu n ILE 134 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2nyu s LEU 135 N -5.17 4.20 0.26 1.39 2.96 0.83 -0.68 118.68 122.47 2nyu s LEU 135 Ca -0.10 0.47 -0.31 0.00 -0.22 0.00 0.00 54.13 53.98 2nyu s LEU 135 Cb 0.03 -2.39 -0.12 0.00 0.50 0.00 0.00 46.19 44.21 2nyu s LEU 135 CO 0.31 0.04 1.66 1.67 -1.32 0.00 0.00 176.35 178.71 2nyu n GLN 136 N 3.92 2.75 -1.72 1.98 -0.06 0.33 -4.87 117.38 119.71 2nyu n GLN 136 Ca -0.11 0.99 -0.43 0.00 -2.00 0.00 0.00 57.00 55.45 2nyu n GLN 136 Cb 0.52 -2.80 -0.02 0.00 -4.06 0.00 0.00 30.24 23.88 2nyu n GLN 136 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2nyu n PRO 137 N 2.92 2.47 -0.24 3.69 -0.02 -1.26 -0.05 135.00 142.51 2nyu n PRO 137 Ca 0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2nyu n PRO 137 Cb 0.36 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2nyu n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyu n GLY 138 N 1.91 0.86 1.09 -1.23 0.00 0.13 -4.90 105.19 103.05 2nyu n GLY 138 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 2nyu n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nyu n GLY 139 N -2.00 -0.14 3.20 -0.02 0.00 0.93 -3.60 105.19 103.55 2nyu n GLY 139 Ca 0.00 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.95 2nyu n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nyu s THR 140 N -1.20 1.35 -0.07 2.61 2.01 -0.48 -1.73 115.64 118.14 2nyu s THR 140 Ca 0.20 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2nyu s THR 140 Cb -0.01 -1.21 0.03 0.00 0.01 0.00 0.00 72.50 71.32 2nyu s THR 140 CO 0.14 0.03 0.00 0.12 -0.69 0.00 0.00 174.62 174.22 2nyu s PHE 141 N -0.92 0.67 -0.15 4.92 5.36 0.10 -0.54 117.98 127.43 2nyu s PHE 141 Ca 0.04 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.86 2nyu s PHE 141 Cb -0.09 -0.80 0.01 0.00 -0.34 0.00 0.00 43.02 41.81 2nyu s PHE 141 CO 0.02 -0.33 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.09 2nyu s LEU 142 N 1.96 2.00 -0.01 6.12 2.96 0.14 -0.17 118.68 131.68 2nyu s LEU 142 Ca 0.05 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2nyu s LEU 142 Cb -0.12 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 2nyu s LEU 142 CO -0.05 0.03 -0.05 0.00 -1.32 0.00 0.00 176.35 174.96 2nyu s LYS 144 N -0.07 4.51 0.18 0.00 -2.85 -0.27 -0.88 119.74 120.36 2nyu s LYS 144 Ca 0.01 1.71 -0.03 0.00 -1.00 0.00 0.00 55.97 56.66 2nyu s LYS 144 Cb -0.03 -3.33 0.01 0.00 -2.06 0.00 0.00 37.83 32.42 2nyu s LYS 144 CO -0.00 -0.11 0.28 -2.37 0.10 0.00 0.00 175.35 173.25 2nyu n THR 145 N 3.35 0.00 -4.94 3.79 5.66 0.13 -4.86 114.28 117.41 2nyu n THR 145 Ca 0.06 -0.74 -0.30 0.00 -3.05 0.00 0.00 64.05 60.03 2nyu n THR 145 Cb 0.47 0.51 -0.15 0.00 -1.55 0.00 0.00 70.33 69.61 2nyu n THR 145 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 2nyu s TRP 146 N -4.56 2.25 -0.51 1.09 -0.00 -1.26 -1.73 118.94 114.22 2nyu s TRP 146 Ca 0.12 -0.41 -0.17 0.00 -0.00 0.00 0.00 56.10 55.64 2nyu s TRP 146 Cb -0.01 -1.36 0.08 0.00 -0.00 0.00 0.00 33.47 32.17 2nyu s TRP 146 CO 0.09 0.09 0.52 0.00 -0.00 0.00 0.00 176.95 177.65 2nyu s ALA 147 N -0.77 3.49 0.00 5.86 0.00 -1.26 -4.62 121.76 124.46 2nyu s ALA 147 Ca 0.11 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.03 2nyu s ALA 147 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2nyu s ALA 147 CO 0.01 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.25 2nyu n GLY 148 N 5.21 1.88 0.27 0.00 0.00 -1.26 -5.02 105.19 106.26 2nyu n GLY 148 Ca -0.10 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 2nyu n GLY 148 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nyu h SER 149 N 0.00 0.80 1.10 1.61 4.64 -2.03 -2.03 113.55 117.63 2nyu h SER 149 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2nyu h SER 149 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2nyu h SER 149 CO 0.00 0.68 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 2nyu n GLN 150 N -4.53 0.19 0.16 4.77 1.13 -1.26 -3.00 117.38 114.83 2nyu n GLN 150 Ca 0.04 0.26 0.12 0.00 -1.94 0.00 0.00 57.00 55.49 2nyu n GLN 150 Cb 0.10 -1.77 0.22 0.00 0.11 0.00 0.00 30.24 28.90 2nyu n GLN 150 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2nyu h SER 151 N 0.00 0.00 -0.82 1.08 0.02 -1.62 -3.37 113.55 108.84 2nyu h SER 151 Ca 0.00 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2nyu h SER 151 Cb 0.55 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2nyu h SER 151 CO 0.00 0.01 0.54 0.03 -1.14 0.00 0.00 176.83 176.27 2nyu h ARG 152 N 0.00 1.07 -0.11 3.45 3.08 -1.51 -0.78 114.38 119.58 2nyu h ARG 152 Ca 0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2nyu h ARG 152 Cb 0.90 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2nyu h ARG 152 CO 0.00 0.71 -0.06 0.00 -1.07 0.00 0.00 179.97 179.54 2nyu h ARG 153 N 1.10 -0.06 -0.42 0.04 2.47 -1.80 0.23 114.38 115.94 2nyu h ARG 153 Ca 0.30 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 2nyu h ARG 153 Cb -0.12 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 2nyu h ARG 153 CO -0.07 -0.04 0.27 1.25 0.56 0.00 0.00 179.97 181.95 2nyu h LEU 154 N -0.06 0.47 -0.90 3.04 5.85 -1.70 -2.22 115.31 119.78 2nyu h LEU 154 Ca 0.07 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2nyu h LEU 154 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2nyu h LEU 154 CO -0.15 0.34 0.08 -0.61 -0.34 0.00 0.00 178.44 177.76 2nyu h GLN 155 N 0.56 0.90 -0.43 1.25 4.15 -0.89 -1.77 115.11 118.87 2nyu h GLN 155 Ca 0.16 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2nyu h GLN 155 Cb -0.05 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 2nyu h GLN 155 CO -0.04 0.84 0.16 0.00 -1.93 0.00 0.00 178.83 177.85 2nyu h ARG 156 N 0.85 0.66 -0.55 1.69 3.08 -0.40 -1.84 114.38 117.86 2nyu h ARG 156 Ca 0.17 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2nyu h ARG 156 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2nyu h ARG 156 CO 0.01 0.62 0.21 -0.09 -1.07 0.00 0.00 179.97 179.65 2nyu h ARG 157 N 0.56 0.84 -0.69 0.04 2.43 -1.12 -1.76 114.38 114.68 2nyu h ARG 157 Ca 0.14 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2nyu h ARG 157 Cb 0.22 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2nyu h ARG 157 CO -0.01 0.74 0.43 -0.07 -1.51 0.00 0.00 179.97 179.55 2nyu h LEU 158 N 0.76 0.81 -1.00 3.80 3.38 -1.26 -2.44 115.31 119.36 2nyu h LEU 158 Ca 0.18 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2nyu h LEU 158 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2nyu h LEU 158 CO -0.01 0.61 -0.30 0.74 0.09 0.00 0.00 178.44 179.57 2nyu h THR 159 N 0.94 1.27 -0.05 0.22 2.02 -0.51 -0.56 112.91 116.25 2nyu h THR 159 Ca 0.25 -1.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 2nyu h THR 159 Cb -0.06 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2nyu h THR 159 CO -0.05 0.40 -0.56 -0.33 0.37 0.00 0.00 175.52 175.35 2nyu h GLU 160 N 0.32 0.14 -0.00 6.66 3.07 -1.02 -3.35 114.58 120.39 2nyu h GLU 160 Ca 0.04 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2nyu h GLU 160 Cb 0.69 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2nyu h GLU 160 CO 0.05 0.66 -0.62 0.39 -1.40 0.00 0.00 179.01 178.09 2nyu n GLU 161 N -3.89 2.32 -4.20 2.33 1.02 -0.95 -4.96 120.64 112.31 2nyu n GLU 161 Ca -0.02 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.86 2nyu n GLU 161 Cb 0.58 -1.17 -0.12 0.00 -0.02 0.00 0.00 31.44 30.71 2nyu n GLU 161 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2nyu s PHE 162 N -2.26 1.29 0.26 -0.32 0.08 -0.25 -0.52 117.98 116.26 2nyu s PHE 162 Ca 0.06 -0.49 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 2nyu s PHE 162 Cb 0.11 -0.71 0.33 0.00 -0.57 0.00 0.00 43.02 42.18 2nyu s PHE 162 CO 0.55 0.09 1.76 1.96 -0.10 0.00 0.00 175.22 179.48 2nyu h GLN 163 N 4.04 0.82 -3.63 0.44 1.08 -0.86 -3.43 115.11 113.57 2nyu h GLN 163 Ca -0.41 -0.21 -0.26 0.00 -1.45 0.00 0.00 58.65 56.32 2nyu h GLN 163 Cb 1.19 -0.10 -0.31 0.00 -0.05 0.00 0.00 27.48 28.21 2nyu h GLN 163 CO 0.43 0.81 -0.72 -0.80 -0.95 0.00 0.00 178.83 177.60 2nyu s ASN 164 N -6.62 0.03 -0.11 1.46 -0.87 -0.91 -5.03 114.94 102.88 2nyu s ASN 164 Ca -0.10 0.02 -0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2nyu s ASN 164 Cb 0.15 -0.03 0.02 0.00 -0.02 0.00 0.00 41.25 41.37 2nyu s ASN 164 CO 0.81 -0.06 -0.08 -0.69 -2.57 0.00 0.00 177.10 174.51 2nyu s VAL 165 N 0.51 1.04 0.01 1.60 1.01 -1.26 -0.73 120.40 122.58 2nyu s VAL 165 Ca -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2nyu s VAL 165 Cb -0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2nyu s VAL 165 CO -0.01 0.37 -0.02 -0.13 0.00 0.00 0.00 175.10 175.31 2nyu s ARG 166 N 1.69 2.70 -0.22 2.72 0.52 0.05 -4.98 118.95 121.44 2nyu s ARG 166 Ca 0.05 -0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 54.51 2nyu s ARG 166 Cb -0.13 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2nyu s ARG 166 CO -0.08 0.61 0.10 0.42 0.02 0.00 0.00 175.30 176.37 2nyu s ILE 167 N -1.09 4.87 -0.09 1.52 1.01 -1.26 -0.62 121.20 125.55 2nyu s ILE 167 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.89 2nyu s ILE 167 Cb -0.11 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2nyu s ILE 167 CO 0.10 0.38 -0.20 -0.63 0.00 0.00 0.00 174.94 174.60 2nyu s ILE 168 N 0.96 2.48 0.00 2.92 1.01 0.51 -4.99 121.20 124.09 2nyu s ILE 168 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2nyu s ILE 168 Cb -0.14 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2nyu s ILE 168 CO 0.03 0.56 0.00 0.29 0.00 0.00 0.00 174.94 175.82 2nyu n LYS 169 N 3.13 3.63 -0.78 2.79 4.76 -1.26 -0.97 118.16 129.45 2nyu n LYS 169 Ca -0.18 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.15 2nyu n LYS 169 Cb 0.52 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.60 2nyu n LYS 169 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2nyu n PRO 170 N 0.00 0.00 -1.33 1.97 -0.02 -1.26 -4.81 135.00 129.55 2nyu n PRO 170 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2nyu n PRO 170 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 2nyu n PRO 170 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nyu n GLU 179 N 2.87 -3.80 -3.88 -0.52 1.02 -1.26 -5.05 120.64 110.02 2nyu n GLU 179 Ca 0.35 2.82 -0.11 0.00 -0.02 0.00 0.00 57.16 60.19 2nyu n GLU 179 Cb 0.08 -3.16 -0.12 0.00 -0.02 0.00 0.00 31.44 28.22 2nyu n GLU 179 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2nyu s VAL 180 N -2.94 0.04 -0.07 2.62 1.01 -0.71 -4.93 120.40 115.43 2nyu s VAL 180 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2nyu s VAL 180 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2nyu s VAL 180 CO 0.00 -0.20 -0.16 -0.31 0.00 0.00 0.00 175.10 174.42 2nyu s TYR 181 N -0.64 2.66 -0.16 5.22 2.02 -0.15 0.19 117.35 126.50 2nyu s TYR 181 Ca -0.07 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 2nyu s TYR 181 Cb -0.04 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2nyu s TYR 181 CO 0.00 0.00 0.22 -0.06 -1.57 0.00 0.00 175.55 174.15 2nyu s PHE 182 N -0.35 3.47 -0.31 2.71 0.08 -0.06 -0.36 117.98 123.15 2nyu s PHE 182 Ca 0.03 0.51 0.01 0.00 0.12 0.00 0.00 56.93 57.59 2nyu s PHE 182 Cb -0.12 -2.23 0.07 0.00 -0.57 0.00 0.00 43.02 40.17 2nyu s PHE 182 CO 0.02 0.33 0.01 -1.17 -0.10 0.00 0.00 175.22 174.31 2nyu s LEU 183 N 0.20 4.17 -0.15 -0.37 2.96 0.21 -1.17 118.68 124.53 2nyu s LEU 183 Ca 0.13 -1.62 -0.03 0.00 -0.22 0.00 0.00 54.13 52.40 2nyu s LEU 183 Cb -0.12 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2nyu s LEU 183 CO 0.02 -0.31 -0.06 0.00 -1.32 0.00 0.00 176.35 174.68 2nyu s ALA 184 N 1.12 2.89 0.14 5.97 0.00 0.77 -0.77 121.76 131.87 2nyu s ALA 184 Ca -0.01 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.16 2nyu s ALA 184 Cb -0.20 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2nyu s ALA 184 CO -0.04 0.19 -0.13 0.95 0.00 0.00 0.00 175.76 176.73 2nyu s THR 185 N 0.41 1.36 -0.93 0.00 -4.23 0.09 0.00 115.64 112.33 2nyu s THR 185 Ca -0.06 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2nyu s THR 185 Cb -0.15 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 2nyu s THR 185 CO 0.03 -0.49 0.81 0.00 -0.54 0.00 0.00 174.62 174.43 2nyu n GLN 186 N 0.30 -2.64 -1.65 3.99 6.02 -0.91 -2.15 117.38 120.33 2nyu n GLN 186 Ca -0.14 0.75 -0.50 0.00 -0.01 0.00 0.00 57.00 57.11 2nyu n GLN 186 Cb 0.58 -5.29 -0.05 0.00 1.02 0.00 0.00 30.24 26.49 2nyu n GLN 186 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2nyu n TYR 187 N -3.13 2.01 -0.26 1.08 -0.00 -0.70 -1.58 117.16 114.59 2nyu n TYR 187 Ca -0.10 0.37 -0.04 0.00 -0.00 0.00 0.00 57.90 58.13 2nyu n TYR 187 Cb 0.61 -2.49 0.11 0.00 -0.00 0.00 0.00 39.34 37.57 2nyu n TYR 187 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2nyu h HIS 188 N 6.27 1.13 -0.01 2.98 3.86 -1.16 0.38 115.15 128.60 2nyu h HIS 188 Ca -0.47 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 2nyu h HIS 188 Cb 1.29 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2nyu h HIS 188 CO 0.68 0.85 0.00 0.41 0.86 0.00 0.00 177.93 180.73