#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 3.24 -0.20 0.66 2.02 -1.26 -5.11 117.35 116.71 2nyu s TYR 2 Ca 0.00 -0.02 0.29 0.00 -0.37 0.00 0.00 57.07 56.97 2nyu s TYR 2 Cb 0.00 -1.52 0.98 0.00 -0.40 0.00 0.00 41.96 41.03 2nyu s TYR 2 CO 0.00 0.51 1.83 0.00 -1.57 0.00 0.00 175.55 176.31 2nyu h ARG 3 N 1.93 0.00 -3.14 -0.62 3.08 -1.90 -3.46 114.38 110.27 2nyu h ARG 3 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 2nyu h ARG 3 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 2nyu h ARG 3 CO 0.63 0.00 0.08 0.45 -1.07 0.00 0.00 179.97 180.06 2nyu s SER 4 N -5.53 -0.42 0.60 7.04 0.15 -1.26 -4.91 113.70 109.37 2nyu s SER 4 Ca 0.04 -0.11 0.33 0.00 0.70 0.00 0.00 55.95 56.91 2nyu s SER 4 Cb 0.08 0.54 1.94 0.00 -1.71 0.00 0.00 66.02 66.87 2nyu s SER 4 CO 0.56 -0.90 2.27 0.08 1.20 0.00 0.00 173.24 176.45 2nyu h ARG 5 N 2.21 0.00 0.00 5.44 -0.00 -2.02 -3.00 114.38 117.01 2nyu h ARG 5 Ca -0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.64 2nyu h ARG 5 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.25 2nyu h ARG 5 CO 0.42 0.01 -0.01 0.66 -0.00 0.00 0.00 179.97 181.05 2nyu h SER 6 N 0.00 0.00 -0.81 0.08 4.64 -1.98 -2.27 113.55 113.20 2nyu h SER 6 Ca -0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 2nyu h SER 6 Cb 0.03 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.02 2nyu h SER 6 CO 0.00 0.01 0.37 0.00 -0.87 0.00 0.00 176.83 176.34 2nyu h ALA 7 N 1.99 1.20 0.00 5.18 0.00 -1.81 -2.58 119.26 123.25 2nyu h ALA 7 Ca -0.00 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2nyu h ALA 7 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2nyu h ALA 7 CO 0.00 -0.17 -0.28 0.74 0.00 0.00 0.00 179.25 179.54 2nyu h PHE 8 N 0.52 0.00 -0.24 0.00 0.04 -1.66 -0.10 116.94 115.50 2nyu h PHE 8 Ca 0.45 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 61.05 2nyu h PHE 8 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2nyu h PHE 8 CO -0.13 0.28 -0.56 0.87 -0.60 0.00 0.00 178.31 178.17 2nyu h LYS 9 N 0.00 0.73 -0.07 1.51 1.57 -1.61 -1.76 116.57 116.94 2nyu h LYS 9 Ca -0.00 -0.47 -0.24 0.00 -1.87 0.00 0.00 60.65 58.07 2nyu h LYS 9 Cb 0.65 0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.04 2nyu h LYS 9 CO 0.04 1.10 -0.88 1.25 -0.57 0.00 0.00 179.45 180.38 2nyu h LEU 10 N 0.56 0.89 -0.59 2.94 5.85 -1.26 -1.95 115.31 121.75 2nyu h LEU 10 Ca 0.01 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.14 2nyu h LEU 10 Cb 1.14 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 2nyu h LEU 10 CO 0.12 1.45 0.17 -0.07 -0.34 0.00 0.00 178.44 179.77 2nyu h LEU 11 N 0.40 0.10 -0.03 2.25 3.38 -0.94 -0.10 115.31 120.37 2nyu h LEU 11 Ca -0.09 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nyu h LEU 11 Cb 1.53 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2nyu h LEU 11 CO 0.18 0.07 0.01 -0.08 0.09 0.00 0.00 178.44 178.71 2nyu h GLU 12 N 0.32 0.05 -0.46 1.13 4.22 -1.26 0.29 114.58 118.88 2nyu h GLU 12 Ca 0.31 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.80 2nyu h GLU 12 Cb 0.42 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2nyu h GLU 12 CO -0.35 0.18 0.17 0.28 -2.18 0.00 0.00 179.01 177.11 2nyu h VAL 13 N -0.09 0.86 -0.67 0.32 2.07 -1.13 -2.10 116.25 115.51 2nyu h VAL 13 Ca 0.01 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2nyu h VAL 13 Cb 0.15 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2nyu h VAL 13 CO -0.00 0.06 0.11 -1.13 0.02 0.00 0.00 177.57 176.63 2nyu h ASN 14 N 0.35 1.06 -0.74 0.57 -1.24 -0.74 0.17 115.58 115.01 2nyu h ASN 14 Ca 0.22 -0.26 0.07 0.00 0.71 0.00 0.00 56.30 57.03 2nyu h ASN 14 Cb 0.21 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 38.92 2nyu h ASN 14 CO -0.22 1.05 0.42 -0.08 -1.29 0.00 0.00 177.43 177.32 2nyu h GLU 15 N 1.03 0.74 0.18 6.67 4.57 -0.13 0.60 114.58 128.24 2nyu h GLU 15 Ca 0.20 -0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 58.03 2nyu h GLU 15 Cb 0.44 -0.17 0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2nyu h GLU 15 CO 0.01 0.49 -1.34 0.00 -1.18 0.00 0.00 179.01 176.99 2nyu h ARG 16 N 0.76 0.56 -0.00 1.92 3.08 -1.17 -3.40 114.38 116.14 2nyu h ARG 16 Ca 0.33 -0.84 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2nyu h ARG 16 Cb 0.22 0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2nyu h ARG 16 CO -0.19 1.39 -0.39 0.72 -1.07 0.00 0.00 179.97 180.43 2nyu n HIS 17 N -3.74 0.00 -3.47 3.04 8.25 0.59 -5.03 115.22 114.85 2nyu n HIS 17 Ca -0.15 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.10 2nyu n HIS 17 Cb 1.04 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.21 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 -1.09 -2.65 0.01 -0.41 6.02 0.19 -4.91 117.38 114.54 2nyu n GLN 18 Ca 0.02 0.70 0.11 0.00 -0.01 0.00 0.00 57.00 57.81 2nyu n GLN 18 Cb 0.14 -5.19 -0.08 0.00 1.02 0.00 0.00 30.24 26.13 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 -3.76 0.06 -4.73 5.09 -5.35 -1.26 -4.87 119.36 104.54 2nyu n ILE 19 Ca -0.13 -0.24 -0.33 0.00 -0.27 0.00 0.00 62.75 61.78 2nyu n ILE 19 Cb 0.62 0.41 -0.15 0.00 -1.74 0.00 0.00 39.64 38.78 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 -3.80 2.43 0.11 7.28 1.43 -1.26 -4.98 118.68 119.88 2nyu s LEU 20 Ca 0.02 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2nyu s LEU 20 Cb 0.15 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.83 2nyu s LEU 20 CO 0.86 0.12 0.21 0.00 0.23 0.00 0.00 176.35 177.77 2nyu s ARG 21 N 0.62 0.93 0.25 1.70 1.70 -1.24 -4.84 118.95 118.08 2nyu s ARG 21 Ca -0.09 -1.02 -0.30 0.00 -0.47 0.00 0.00 55.73 53.84 2nyu s ARG 21 Cb -0.16 0.35 -0.14 0.00 -0.57 0.00 0.00 34.95 34.43 2nyu s ARG 21 CO 0.03 -0.31 1.21 -2.30 -1.08 0.00 0.00 175.30 172.85 2nyu n PRO 22 N -0.10 1.64 -0.28 3.89 -0.02 -1.14 -2.47 135.00 136.52 2nyu n PRO 22 Ca -0.13 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2nyu n PRO 22 Cb 0.63 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.63 1.35 3.79 -1.23 0.00 -0.70 -4.73 105.19 105.29 2nyu n GLY 23 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 4.11 -0.15 0.99 1.43 -1.03 -4.38 118.68 119.66 2nyu s LEU 24 Ca 0.00 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.87 2nyu s LEU 24 Cb 0.00 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2nyu s LEU 24 CO 0.00 -0.42 0.39 -0.13 0.23 0.00 0.00 176.35 176.42 2nyu s ARG 25 N -2.61 4.28 -0.11 1.70 0.52 -1.26 -1.97 118.95 119.51 2nyu s ARG 25 Ca 0.58 0.27 0.02 0.00 -0.52 0.00 0.00 55.73 56.08 2nyu s ARG 25 Cb -0.18 -3.45 0.01 0.00 0.52 0.00 0.00 34.95 31.85 2nyu s ARG 25 CO 0.23 0.16 -0.16 0.08 0.02 0.00 0.00 175.30 175.63 2nyu s VAL 26 N 0.68 1.57 -0.18 3.52 1.01 0.24 -0.21 120.40 127.03 2nyu s VAL 26 Ca 0.21 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 2nyu s VAL 26 Cb -0.14 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2nyu s VAL 26 CO 0.07 0.45 0.13 -0.22 0.00 0.00 0.00 175.10 175.54 2nyu s LEU 27 N 0.87 4.23 -0.28 3.92 2.96 -0.13 -1.44 118.68 128.81 2nyu s LEU 27 Ca -0.09 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2nyu s LEU 27 Cb -0.15 -2.08 0.07 0.00 0.50 0.00 0.00 46.19 44.53 2nyu s LEU 27 CO 0.00 0.23 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.58 2nyu s ASP 28 N 0.08 4.49 -0.06 3.68 2.15 0.37 -0.37 116.67 127.00 2nyu s ASP 28 Ca 0.09 -1.62 -0.16 0.00 0.43 0.00 0.00 52.55 51.30 2nyu s ASP 28 Cb -0.11 -1.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.93 2nyu s ASP 28 CO -0.01 -0.26 0.42 0.00 -0.17 0.00 0.00 175.17 175.16 2nyu n GLY 30 N 2.58 0.04 0.23 0.00 0.00 -0.03 -1.52 105.19 106.50 2nyu n GLY 30 Ca -0.11 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.47 0.97 -2.73 4.61 0.00 -1.46 -3.42 119.26 117.70 2nyu h ALA 31 Ca -0.30 -0.06 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 2nyu h ALA 31 Cb 1.18 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.01 2nyu h ALA 31 CO 0.26 0.09 0.51 0.00 0.00 0.00 0.00 179.25 180.10 2nyu s ALA 32 N -3.40 3.14 -0.30 0.00 0.00 -1.26 -0.23 121.76 119.71 2nyu s ALA 32 Ca 0.04 0.97 0.28 0.00 0.00 0.00 0.00 51.96 53.24 2nyu s ALA 32 Cb 0.07 -3.38 0.95 0.00 0.00 0.00 0.00 23.12 20.76 2nyu s ALA 32 CO 0.63 -0.55 1.80 -1.00 0.00 0.00 0.00 175.76 176.64 2nyu h PRO 33 N 2.59 0.00 0.00 0.00 0.13 -1.91 -3.47 132.00 129.34 2nyu h PRO 33 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2nyu h PRO 33 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2nyu h PRO 33 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2nyu n GLY 34 N 0.48 0.95 0.22 1.56 0.00 0.68 -4.46 105.19 104.62 2nyu n GLY 34 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.54 -0.61 4.61 0.00 -1.91 -0.92 119.26 120.96 2nyu h ALA 35 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2nyu h ALA 35 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2nyu h ALA 35 CO 0.00 0.33 0.09 -1.49 0.00 0.00 0.00 179.25 178.17 2nyu h TRP 36 N 0.53 1.10 -0.92 0.00 4.06 -1.88 -1.91 115.95 116.93 2nyu h TRP 36 Ca 0.11 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.94 2nyu h TRP 36 Cb 0.50 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.30 2nyu h TRP 36 CO 0.04 0.94 0.61 0.77 -3.56 0.00 0.00 178.44 177.24 2nyu h SER 37 N 0.93 1.00 -0.56 -3.49 0.02 -1.80 0.17 113.55 109.83 2nyu h SER 37 Ca 0.19 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2nyu h SER 37 Cb 0.45 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2nyu h SER 37 CO 0.01 0.69 0.16 1.56 -1.14 0.00 0.00 176.83 178.11 2nyu h GLN 38 N 1.16 0.88 -0.41 3.45 4.20 -0.78 0.11 115.11 123.72 2nyu h GLN 38 Ca 0.37 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2nyu h GLN 38 Cb 0.01 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2nyu h GLN 38 CO -0.11 0.81 0.17 0.28 -0.67 0.00 0.00 178.83 179.30 2nyu h VAL 39 N 0.79 1.20 -0.36 -0.54 2.07 -0.82 -2.97 116.25 115.61 2nyu h VAL 39 Ca 0.18 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2nyu h VAL 39 Cb 0.30 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2nyu h VAL 39 CO -0.00 0.22 0.22 0.00 0.02 0.00 0.00 177.57 178.03 2nyu h ALA 40 N 1.01 0.46 -0.15 1.67 0.00 -0.28 -1.37 119.26 120.59 2nyu h ALA 40 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2nyu h ALA 40 Cb 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2nyu h ALA 40 CO -0.01 -0.04 -0.21 0.28 0.00 0.00 0.00 179.25 179.27 2nyu h VAL 41 N 0.47 0.48 -0.09 0.00 2.07 -0.99 0.76 116.25 118.94 2nyu h VAL 41 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 2nyu h VAL 41 Cb 0.01 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2nyu h VAL 41 CO -0.02 0.00 -0.21 1.56 0.02 0.00 0.00 177.57 178.92 2nyu h GLN 42 N -0.25 -0.27 0.00 1.57 4.20 -1.34 -1.24 115.11 117.78 2nyu h GLN 42 Ca 0.11 0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 2nyu h GLN 42 Cb 0.41 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2nyu h GLN 42 CO -0.30 -0.18 -0.70 0.87 -0.67 0.00 0.00 178.83 177.86 2nyu h LYS 43 N -0.28 0.00 -0.40 1.46 1.79 -0.86 -2.80 116.57 115.48 2nyu h LYS 43 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2nyu h LYS 43 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2nyu h LYS 43 CO -0.26 0.70 0.00 1.33 -1.08 0.00 0.00 179.45 180.14 2nyu n VAL 44 N -3.65 0.52 -3.39 0.50 0.24 0.23 -2.90 118.33 109.88 2nyu n VAL 44 Ca -0.01 -0.66 -0.24 0.00 -2.04 0.00 0.00 64.34 61.39 2nyu n VAL 44 Cb 0.70 0.65 0.04 0.00 -1.47 0.00 0.00 33.84 33.76 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 1.13 -5.63 0.21 -1.34 5.15 -0.55 -1.06 115.26 113.17 2nyu n ASN 45 Ca 0.19 -0.46 0.08 0.00 -0.60 0.00 0.00 54.58 53.79 2nyu n ASN 45 Cb 0.51 -4.51 0.41 0.00 -0.53 0.00 0.00 39.78 35.65 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 1.00 1.00 -0.01 5.20 0.00 -1.52 -1.10 119.26 123.84 2nyu h ALA 46 Ca -0.54 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2nyu h ALA 46 Cb 1.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2nyu h ALA 46 CO 0.58 0.34 -0.03 0.00 0.00 0.00 0.00 179.25 180.14 2nyu n ALA 47 N -2.24 2.67 -2.06 0.00 0.00 -1.26 -4.68 120.51 112.94 2nyu n ALA 47 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 2nyu n ALA 47 Cb 0.46 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 1.14 0.38 0.28 0.00 0.00 -0.42 -4.89 105.19 101.67 2nyu n GLY 48 Ca 0.20 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.79 -3.53 2.61 2.02 -1.92 -3.31 112.91 109.56 2nyu h THR 49 Ca -0.41 -0.01 -0.71 0.00 0.77 0.00 0.00 66.41 66.05 2nyu h THR 49 Cb 1.27 1.01 -0.28 0.00 -1.74 0.00 0.00 68.15 68.41 2nyu h THR 49 CO 0.52 0.00 -0.52 -0.62 0.37 0.00 0.00 175.52 175.28 2nyu s ASP 50 N -6.66 5.52 0.62 4.18 2.15 -1.26 -4.98 116.67 116.24 2nyu s ASP 50 Ca -0.05 -1.40 0.38 0.00 0.43 0.00 0.00 52.55 51.91 2nyu s ASP 50 Cb 0.16 -1.94 2.04 0.00 -0.30 0.00 0.00 42.92 42.88 2nyu s ASP 50 CO 0.61 -0.46 2.26 -0.65 -0.17 0.00 0.00 175.17 176.76 2nyu h PRO 51 N 8.32 0.00 -0.00 4.34 0.11 -2.00 -2.70 132.00 140.07 2nyu h PRO 51 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2nyu h PRO 51 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2nyu h PRO 51 CO 0.70 0.02 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.23 2nyu n SER 52 N -3.30 0.63 -4.32 -2.05 3.41 -1.26 -4.91 113.62 101.82 2nyu n SER 52 Ca -0.02 -0.65 -0.26 0.00 -0.26 0.00 0.00 58.87 57.67 2nyu n SER 52 Cb 0.13 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.49 2.84 0.59 4.04 0.01 -1.02 -5.12 113.70 112.55 2nyu s SER 53 Ca 0.27 -0.68 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 2nyu s SER 53 Cb 0.20 -0.19 -0.07 0.00 0.21 0.00 0.00 66.02 66.17 2nyu s SER 53 CO 0.49 0.13 0.70 -2.65 0.41 0.00 0.00 173.24 172.32 2nyu n PRO 54 N 1.18 0.64 -3.63 12.44 -0.02 -1.26 -4.91 135.00 139.43 2nyu n PRO 54 Ca -0.19 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 2nyu n PRO 54 Cb 0.53 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.65 4.96 0.00 -1.45 1.01 -1.26 -2.82 120.40 119.19 2nyu s VAL 55 Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2nyu s VAL 55 Cb -0.43 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2nyu s VAL 55 CO 0.51 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.45 2nyu n GLY 56 N 5.02 0.21 3.31 4.51 0.00 -0.22 -4.45 105.19 113.58 2nyu n GLY 56 Ca -0.14 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 0.69 -0.49 -0.11 1.61 5.36 -0.83 -4.30 117.98 119.90 2nyu s PHE 57 Ca 0.00 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.11 2nyu s PHE 57 Cb 0.00 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.89 2nyu s PHE 57 CO 0.00 -0.24 -0.01 0.08 -1.46 0.00 0.00 175.22 173.58 2nyu s VAL 58 N 0.41 0.62 -0.21 3.12 1.01 -1.26 0.81 120.40 124.91 2nyu s VAL 58 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2nyu s VAL 58 Cb -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2nyu s VAL 58 CO -0.02 0.18 -0.13 -0.22 0.00 0.00 0.00 175.10 174.91 2nyu s LEU 59 N 1.86 2.56 -0.00 3.92 2.96 -0.52 -1.71 118.68 127.76 2nyu s LEU 59 Ca 0.03 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2nyu s LEU 59 Cb -0.14 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2nyu s LEU 59 CO -0.07 -0.03 0.10 -0.83 -1.32 0.00 0.00 176.35 174.21 2nyu s GLY 60 N 1.34 2.05 -0.03 7.98 0.00 -0.53 -0.48 107.32 117.66 2nyu s GLY 60 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.94 2nyu s GLY 60 CO -0.09 -0.73 -0.12 0.14 0.00 0.00 0.00 173.10 172.30 2nyu s VAL 61 N -1.23 0.96 -0.01 1.40 1.01 -0.34 -0.61 120.40 121.59 2nyu s VAL 61 Ca 0.24 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2nyu s VAL 61 Cb -0.12 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.46 2nyu s VAL 61 CO 0.15 0.29 0.46 -0.62 0.00 0.00 0.00 175.10 175.38 2nyu s ASP 62 N 0.04 -0.37 0.46 3.32 -1.08 -0.76 -0.85 116.67 117.43 2nyu s ASP 62 Ca -0.01 0.26 0.20 0.00 -0.52 0.00 0.00 52.55 52.47 2nyu s ASP 62 Cb -0.08 0.42 1.17 0.00 -1.46 0.00 0.00 42.92 42.96 2nyu s ASP 62 CO 0.01 -0.57 1.92 -0.07 0.52 0.00 0.00 175.17 176.98 2nyu h LEU 63 N 3.33 0.28 -9.94 -1.34 3.38 -1.81 -0.50 115.31 108.71 2nyu h LEU 63 Ca -0.29 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.16 2nyu h LEU 63 Cb 1.18 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2nyu h LEU 63 CO 0.41 0.14 -0.51 -0.76 0.09 0.00 0.00 178.44 177.80 2nyu s LEU 64 N -9.18 4.04 0.27 1.67 1.43 -1.26 -4.35 118.68 111.30 2nyu s LEU 64 Ca -0.07 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2nyu s LEU 64 Cb 0.21 -2.61 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 2nyu s LEU 64 CO 0.76 0.02 1.46 -2.28 0.23 0.00 0.00 176.35 176.55 2nyu s HIS 65 N -1.86 2.94 -0.17 0.29 5.65 -1.26 -4.73 115.29 116.15 2nyu s HIS 65 Ca 0.33 1.02 -0.00 0.00 0.25 0.00 0.00 55.06 56.65 2nyu s HIS 65 Cb -0.10 -3.87 0.00 0.00 -1.18 0.00 0.00 32.58 27.43 2nyu s HIS 65 CO 0.26 -2.80 -0.14 0.42 -0.65 0.00 0.00 174.74 171.82 2nyu s ILE 66 N -0.17 2.66 0.32 0.89 1.01 -1.26 -4.91 121.20 119.74 2nyu s ILE 66 Ca 0.59 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 2nyu s ILE 66 Cb -0.43 -2.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.79 2nyu s ILE 66 CO 0.46 0.50 1.39 -0.36 0.00 0.00 0.00 174.94 176.94 2nyu s PHE 67 N 1.01 2.92 0.60 3.97 0.08 -1.26 -4.92 117.98 120.39 2nyu s PHE 67 Ca -0.01 1.23 -0.18 0.00 0.12 0.00 0.00 56.93 58.09 2nyu s PHE 67 Cb -0.15 -3.81 -0.07 0.00 -0.57 0.00 0.00 43.02 38.42 2nyu s PHE 67 CO -0.03 -2.40 0.62 -2.30 -0.10 0.00 0.00 175.22 171.01 2nyu n PRO 68 N 1.20 0.56 -3.78 0.24 -0.02 -1.26 -5.02 135.00 126.91 2nyu n PRO 68 Ca 0.02 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2nyu n PRO 68 Cb 0.41 -1.82 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.03 1.10 0.07 2.45 2.96 -1.26 -5.11 118.68 118.85 2nyu s LEU 69 Ca 0.70 0.19 -0.31 0.00 -0.22 0.00 0.00 54.13 54.49 2nyu s LEU 69 Cb -0.42 0.21 -0.09 0.00 0.50 0.00 0.00 46.19 46.39 2nyu s LEU 69 CO 0.53 -0.11 1.74 -1.83 -1.32 0.00 0.00 176.35 175.36 2nyu s GLU 70 N 0.82 4.17 0.00 1.98 -1.05 -1.26 -1.93 118.70 121.43 2nyu s GLU 70 Ca -0.06 2.43 0.00 0.00 -0.15 0.00 0.00 54.97 57.18 2nyu s GLU 70 Cb -0.09 -3.70 0.00 0.00 -0.44 0.00 0.00 34.13 29.90 2nyu s GLU 70 CO -0.03 -0.80 0.00 0.41 0.95 0.00 0.00 175.26 175.78 2nyu n GLY 71 N 4.14 0.78 3.34 -3.83 0.00 -1.26 -4.71 105.19 103.65 2nyu n GLY 71 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.91 2.21 -0.01 4.61 0.00 -0.81 -4.13 121.76 120.71 2nyu s ALA 72 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2nyu s ALA 72 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2nyu s ALA 72 CO 0.00 0.52 0.08 0.99 0.00 0.00 0.00 175.76 177.35 2nyu s THR 73 N -0.80 4.75 -0.00 0.00 2.01 -0.69 -4.55 115.64 116.36 2nyu s THR 73 Ca 0.11 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.79 2nyu s THR 73 Cb -0.10 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 2nyu s THR 73 CO 0.02 0.37 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.78 2nyu s PHE 74 N -1.18 1.62 -0.29 4.92 0.08 -1.26 -1.46 117.98 120.41 2nyu s PHE 74 Ca 0.22 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 2nyu s PHE 74 Cb -0.12 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 2nyu s PHE 74 CO 0.13 -0.01 0.03 -0.51 -0.10 0.00 0.00 175.22 174.76 2nyu s LEU 75 N -0.56 3.78 -0.27 -0.37 1.43 0.22 -4.97 118.68 117.93 2nyu s LEU 75 Ca 0.07 -0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 51.94 2nyu s LEU 75 Cb -0.07 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.45 2nyu s LEU 75 CO -0.00 -0.22 0.79 0.00 0.23 0.00 0.00 176.35 177.15 2nyu s PRO 77 N 0.40 4.42 -0.23 0.00 0.04 -1.26 -4.93 135.00 133.44 2nyu s PRO 77 Ca 0.00 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 2nyu s PRO 77 Cb -0.05 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.27 2nyu s PRO 77 CO -0.02 -0.27 0.51 0.00 0.04 0.00 0.00 177.00 177.26 2nyu s ALA 78 N 0.94 -1.46 -0.51 8.56 0.00 -0.20 -4.95 121.76 124.14 2nyu s ALA 78 Ca 0.59 1.82 -0.26 0.00 0.00 0.00 0.00 51.96 54.11 2nyu s ALA 78 Cb -0.31 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2nyu s ALA 78 CO 0.30 -0.72 1.00 0.34 0.00 0.00 0.00 175.76 176.68 2nyu s ASP 79 N 2.47 6.46 0.61 0.00 2.15 -1.26 -2.50 116.67 124.59 2nyu s ASP 79 Ca -0.05 0.02 0.28 0.00 0.43 0.00 0.00 52.55 53.24 2nyu s ASP 79 Cb -0.11 -2.48 1.44 0.00 -0.30 0.00 0.00 42.92 41.48 2nyu s ASP 79 CO -0.15 -1.20 1.85 0.58 -0.17 0.00 0.00 175.17 176.08 2nyu h VAL 80 N 6.10 0.27 -0.11 1.11 2.07 -1.94 -0.36 116.25 123.40 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 1.07 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2nyu h VAL 80 CO 1.08 0.00 0.00 0.35 0.02 0.00 0.00 177.57 179.02 2nyu n THR 81 N -3.51 0.12 -3.40 2.57 -2.24 -1.26 -4.65 114.28 101.90 2nyu n THR 81 Ca 0.07 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 2nyu n THR 81 Cb 0.68 0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.79 6.39 0.46 3.42 -1.08 -0.14 -4.97 116.67 118.95 2nyu s ASP 82 Ca 0.35 0.46 0.35 0.00 -0.52 0.00 0.00 52.55 53.19 2nyu s ASP 82 Cb 0.20 -2.22 1.53 0.00 -1.46 0.00 0.00 42.92 40.97 2nyu s ASP 82 CO 0.30 -0.08 1.57 -2.65 0.52 0.00 0.00 175.17 174.83 2nyu n PRO 83 N 4.58 -0.03 0.02 4.34 -0.02 -1.26 -0.53 135.00 142.11 2nyu n PRO 83 Ca -0.09 1.24 -0.06 0.00 -2.02 0.00 0.00 63.50 62.57 2nyu n PRO 83 Cb 0.51 -2.49 0.13 0.00 -0.02 0.00 0.00 33.50 31.63 2nyu n PRO 83 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2nyu h ARG 84 N 0.00 0.46 -0.50 -0.52 2.43 -1.93 -2.37 114.38 111.96 2nyu h ARG 84 Ca 0.89 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 59.70 2nyu h ARG 84 Cb 2.98 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 32.52 2nyu h ARG 84 CO -0.41 0.81 -0.15 1.15 -1.51 0.00 0.00 179.97 179.86 2nyu h THR 85 N 0.38 1.27 -0.33 0.20 2.02 -1.06 -1.80 112.91 113.59 2nyu h THR 85 Ca 0.03 -1.30 0.05 0.00 0.77 0.00 0.00 66.41 65.96 2nyu h THR 85 Cb 0.91 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 2nyu h THR 85 CO 0.08 0.45 0.06 0.28 0.37 0.00 0.00 175.52 176.76 2nyu h SER 86 N 0.84 -0.01 -0.54 4.18 0.02 -1.35 0.31 113.55 117.01 2nyu h SER 86 Ca 0.12 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2nyu h SER 86 Cb 0.72 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2nyu h SER 86 CO 0.05 0.03 0.25 1.56 -1.14 0.00 0.00 176.83 177.58 2nyu h GLN 87 N 0.17 0.82 -0.20 3.45 1.08 -1.26 -1.41 115.11 117.75 2nyu h GLN 87 Ca 0.15 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2nyu h GLN 87 Cb 0.18 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2nyu h GLN 87 CO -0.21 0.66 -0.04 0.00 -0.95 0.00 0.00 178.83 178.29 2nyu h ARG 88 N 0.82 0.39 -0.29 1.46 -0.00 -0.43 -0.85 114.38 115.48 2nyu h ARG 88 Ca 0.20 -0.15 0.06 0.00 -0.50 0.00 0.00 59.98 59.59 2nyu h ARG 88 Cb 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 29.97 30.00 2nyu h ARG 88 CO -0.02 0.63 -0.37 0.82 0.00 0.00 0.00 179.97 181.03 2nyu h ILE 89 N 0.12 0.19 -0.87 2.04 2.04 -0.14 -1.81 117.51 119.07 2nyu h ILE 89 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2nyu h ILE 89 Cb 0.49 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 2nyu h ILE 89 CO 0.02 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.65 2nyu h LEU 90 N -0.35 0.90 -1.80 1.44 3.38 -1.03 -1.13 115.31 116.72 2nyu h LEU 90 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2nyu h LEU 90 Cb 0.57 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2nyu h LEU 90 CO -0.48 0.60 -0.15 -0.33 0.09 0.00 0.00 178.44 178.17 2nyu h GLU 91 N 1.05 0.00 0.06 1.13 5.08 -0.71 -3.28 114.58 117.90 2nyu h GLU 91 Ca 0.36 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.37 2nyu h GLU 91 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2nyu h GLU 91 CO -0.14 0.15 -2.06 0.28 -1.00 0.00 0.00 179.01 176.24 2nyu n VAL 92 N -4.04 1.64 -2.21 3.13 0.31 -0.56 -4.90 118.33 111.71 2nyu n VAL 92 Ca -0.02 -0.70 -0.41 0.00 -0.01 0.00 0.00 64.34 63.20 2nyu n VAL 92 Cb 0.23 -1.36 -0.03 0.00 -0.91 0.00 0.00 33.84 31.77 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 -6.54 4.42 0.12 7.52 1.43 -0.54 -4.96 118.68 120.13 2nyu s LEU 93 Ca -0.19 2.42 -0.35 0.00 -1.03 0.00 0.00 54.13 54.98 2nyu s LEU 93 Cb 0.07 -3.61 -0.17 0.00 0.03 0.00 0.00 46.19 42.52 2nyu s LEU 93 CO 0.76 -0.53 1.21 -2.65 0.23 0.00 0.00 176.35 175.36 2nyu n PRO 94 N 2.54 1.00 -1.45 1.29 -0.02 -1.26 -1.55 135.00 135.55 2nyu n PRO 94 Ca 0.06 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.74 2nyu n PRO 94 Cb 0.43 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.18 1.50 2.38 -1.23 0.00 -1.26 -2.82 105.19 105.94 2nyu n GLY 95 Ca 0.17 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.69 -2.01 -3.87 1.61 1.74 -0.59 -4.95 116.66 106.89 2nyu n ARG 96 Ca -0.16 0.70 -0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2nyu n ARG 96 Cb 0.62 -5.26 -0.09 0.00 -1.02 0.00 0.00 32.46 26.70 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 -4.77 0.55 0.05 5.56 1.81 -1.13 -4.83 118.95 116.19 2nyu s ARG 97 Ca 0.00 -0.49 0.03 0.00 -1.72 0.00 0.00 55.73 53.55 2nyu s ARG 97 Cb 0.00 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.69 2nyu s ARG 97 CO 0.00 -0.14 0.04 0.00 -0.68 0.00 0.00 175.30 174.52 2nyu s ALA 98 N -1.80 3.44 -0.15 2.13 0.00 0.35 -4.62 121.76 121.11 2nyu s ALA 98 Ca -0.11 -1.01 0.19 0.00 0.00 0.00 0.00 51.96 51.03 2nyu s ALA 98 Cb -0.05 -1.37 -0.12 0.00 0.00 0.00 0.00 23.12 21.57 2nyu s ALA 98 CO -0.00 0.71 0.81 -0.25 0.00 0.00 0.00 175.76 177.03 2nyu n ASP 99 N 0.78 0.71 -3.73 0.00 8.00 0.71 -1.28 116.55 121.74 2nyu n ASP 99 Ca -0.11 0.30 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 2nyu n ASP 99 Cb 0.52 0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 41.98 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 -3.12 -0.10 -0.22 2.53 1.01 -0.28 -1.48 120.40 118.74 2nyu s VAL 100 Ca -0.03 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2nyu s VAL 100 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 2nyu s VAL 100 CO 0.82 0.10 0.03 -0.63 0.00 0.00 0.00 175.10 175.42 2nyu s ILE 101 N 1.47 4.11 -0.08 2.22 1.01 0.25 -0.95 121.20 129.22 2nyu s ILE 101 Ca -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2nyu s ILE 101 Cb -0.12 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2nyu s ILE 101 CO -0.05 0.39 0.03 -0.76 0.00 0.00 0.00 174.94 174.55 2nyu s LEU 102 N 1.28 3.74 -0.04 2.97 1.43 0.49 -0.68 118.68 127.88 2nyu s LEU 102 Ca 0.04 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2nyu s LEU 102 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.20 2nyu s LEU 102 CO 0.02 0.37 0.03 -0.55 0.23 0.00 0.00 176.35 176.45 2nyu s SER 103 N -1.01 0.89 -0.18 2.29 0.15 0.11 -0.55 113.70 115.40 2nyu s SER 103 Ca 0.15 0.02 0.14 0.00 0.70 0.00 0.00 55.95 56.95 2nyu s SER 103 Cb -0.11 -0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.37 2nyu s SER 103 CO 0.04 -0.19 1.20 -0.67 1.20 0.00 0.00 173.24 174.82 2nyu n ASP 104 N 4.84 1.91 -4.76 5.45 2.03 -0.57 -1.11 116.55 124.33 2nyu n ASP 104 Ca -0.13 -3.62 -0.37 0.00 0.52 0.00 0.00 54.79 51.18 2nyu n ASP 104 Cb 0.50 -0.49 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 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 -3.09 3.41 -0.07 -0.67 -1.94 -1.23 -4.87 119.30 110.83 2nyu s MET 105 Ca 0.36 1.98 -0.16 0.00 -1.71 0.00 0.00 55.69 56.16 2nyu s MET 105 Cb 0.34 -2.29 0.03 0.00 2.01 0.00 0.00 34.83 34.92 2nyu s MET 105 CO -0.04 -0.90 0.39 0.00 -0.01 0.00 0.00 175.02 174.46 2nyu s ALA 106 N -1.45 -0.98 0.94 3.03 0.00 -1.26 -4.85 121.76 117.20 2nyu s ALA 106 Ca 0.68 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 2nyu s ALA 106 Cb -0.34 -0.24 0.16 0.00 0.00 0.00 0.00 23.12 22.70 2nyu s ALA 106 CO 0.40 -0.24 1.10 -1.25 0.00 0.00 0.00 175.76 175.77 2nyu s PRO 107 N -0.68 0.89 0.19 0.00 0.04 -1.26 -4.98 135.00 129.20 2nyu s PRO 107 Ca -0.08 0.58 -0.32 0.00 0.04 0.00 0.00 61.00 61.22 2nyu s PRO 107 Cb -0.04 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 2nyu s PRO 107 CO 0.03 -2.43 1.66 -0.80 0.04 0.00 0.00 177.00 175.51 2nyu s ASN 108 N -3.57 6.47 0.28 6.66 0.01 -1.26 -4.96 114.94 118.58 2nyu s ASN 108 Ca 0.64 2.76 -0.29 0.00 -0.71 0.00 0.00 52.86 55.26 2nyu s ASN 108 Cb -0.17 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.79 2nyu s ASN 108 CO 0.56 -0.91 1.21 0.00 -1.51 0.00 0.00 177.10 176.45 2nyu s ALA 109 N 1.24 3.46 -0.03 0.60 0.00 -1.26 -4.94 121.76 120.82 2nyu s ALA 109 Ca 0.73 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.77 2nyu s ALA 109 Cb -0.47 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 2nyu s ALA 109 CO 0.32 -0.40 0.04 0.25 0.00 0.00 0.00 175.76 175.97 2nyu n THR 110 N 1.29 0.00 -0.18 0.00 -2.24 -1.26 -5.00 114.28 106.89 2nyu n THR 110 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2nyu n THR 110 Cb 0.43 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.69 1.22 3.45 3.38 0.00 -1.26 -5.02 105.19 108.65 2nyu n GLY 111 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.68 3.09 -0.07 1.61 0.08 -1.26 -4.97 117.98 113.78 2nyu s PHE 112 Ca 0.00 -0.50 -0.25 0.00 0.12 0.00 0.00 56.93 56.29 2nyu s PHE 112 Cb 0.00 -3.36 -0.21 0.00 -0.57 0.00 0.00 43.02 38.88 2nyu s PHE 112 CO 0.00 -0.93 0.99 0.00 -0.10 0.00 0.00 175.22 175.18 2nyu h ARG 113 N 8.91 -0.04 -0.82 0.44 3.08 -1.99 -1.16 114.38 122.79 2nyu h ARG 113 Ca -0.27 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.82 2nyu h ARG 113 Cb 1.10 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 2nyu h ARG 113 CO 0.92 0.60 0.51 -0.44 -1.07 0.00 0.00 179.97 180.49 2nyu h ASP 114 N -0.75 0.83 -0.22 7.04 5.19 -1.98 0.17 116.42 126.70 2nyu h ASP 114 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2nyu h ASP 114 Cb 0.66 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2nyu h ASP 114 CO 0.01 0.56 0.04 0.25 -3.12 0.00 0.00 179.24 176.98 2nyu h LEU 115 N 0.98 0.35 -0.75 1.55 5.85 -1.97 0.21 115.31 121.54 2nyu h LEU 115 Ca 0.34 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2nyu h LEU 115 Cb 0.07 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2nyu h LEU 115 CO -0.13 0.51 0.40 0.44 -0.34 0.00 0.00 178.44 179.32 2nyu h ASP 116 N 0.18 0.95 -0.30 1.25 3.32 -0.97 0.13 116.42 120.98 2nyu h ASP 116 Ca 0.07 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2nyu h ASP 116 Cb 0.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2nyu h ASP 116 CO 0.00 0.78 0.02 0.45 -1.72 0.00 0.00 179.24 178.77 2nyu h HIS 117 N 1.04 0.55 -0.42 4.55 3.86 -0.52 -1.54 115.15 122.67 2nyu h HIS 117 Ca 0.26 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 2nyu h HIS 117 Cb 0.05 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2nyu h HIS 117 CO 0.00 0.63 -0.12 -0.44 0.86 0.00 0.00 177.93 178.86 2nyu h ASP 118 N 0.31 0.75 -0.56 2.45 3.32 -0.43 -1.00 116.42 121.27 2nyu h ASP 118 Ca 0.09 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 2nyu h ASP 118 Cb 0.39 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2nyu h ASP 118 CO 0.01 0.89 0.10 0.03 -1.72 0.00 0.00 179.24 178.55 2nyu h ARG 119 N 0.69 0.96 -0.05 3.56 3.08 -0.65 -0.00 114.38 121.97 2nyu h ARG 119 Ca 0.12 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2nyu h ARG 119 Cb 0.60 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2nyu h ARG 119 CO 0.04 0.88 0.01 1.25 -1.07 0.00 0.00 179.97 181.09 2nyu h LEU 120 N 0.91 0.07 -0.62 3.04 5.85 -0.87 -1.18 115.31 122.51 2nyu h LEU 120 Ca 0.19 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2nyu h LEU 120 Cb 0.39 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2nyu h LEU 120 CO 0.01 0.26 0.27 0.40 -0.34 0.00 0.00 178.44 179.04 2nyu h ILE 121 N -0.13 0.83 -0.87 4.05 1.08 -1.02 -0.96 117.51 120.49 2nyu h ILE 121 Ca 0.01 -0.17 0.03 0.00 -0.39 0.00 0.00 64.86 64.35 2nyu h ILE 121 Cb 0.22 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.22 2nyu h ILE 121 CO -0.00 0.09 0.57 -1.28 -0.69 0.00 0.00 178.15 176.84 2nyu h SER 122 N 0.48 0.94 -0.24 1.72 0.87 -0.75 -0.54 113.55 116.02 2nyu h SER 122 Ca 0.30 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2nyu h SER 122 Cb 0.33 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2nyu h SER 122 CO -0.27 0.65 0.13 0.25 -0.53 0.00 0.00 176.83 177.06 2nyu h LEU 123 N 1.09 0.30 -0.55 2.23 6.46 0.06 -0.00 115.31 124.89 2nyu h LEU 123 Ca 0.34 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2nyu h LEU 123 Cb 0.01 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 2nyu h LEU 123 CO -0.10 0.31 0.35 0.00 -0.62 0.00 0.00 178.44 178.38 2nyu h LEU 125 N 0.74 1.04 -0.47 0.00 3.38 -0.72 0.13 115.31 119.41 2nyu h LEU 125 Ca 0.20 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2nyu h LEU 125 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2nyu h LEU 125 CO -0.04 0.88 0.08 0.74 0.09 0.00 0.00 178.44 180.20 2nyu h THR 126 N 1.13 1.25 -0.63 0.22 2.02 -0.76 -1.14 112.91 114.99 2nyu h THR 126 Ca 0.27 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 2nyu h THR 126 Cb 0.13 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2nyu h THR 126 CO -0.03 0.32 0.16 0.25 0.37 0.00 0.00 175.52 176.59 2nyu h LEU 127 N 0.65 0.92 -1.49 2.58 5.85 -0.80 -2.27 115.31 120.75 2nyu h LEU 127 Ca 0.14 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2nyu h LEU 127 Cb 0.38 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2nyu h LEU 127 CO 0.01 0.89 -0.26 0.25 -0.34 0.00 0.00 178.44 178.99 2nyu h LEU 128 N 0.94 0.00 -0.94 2.25 5.85 -0.41 -2.56 115.31 120.45 2nyu h LEU 128 Ca 0.20 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2nyu h LEU 128 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2nyu h LEU 128 CO -0.00 0.26 -0.43 0.77 -0.34 0.00 0.00 178.44 178.70 2nyu h SER 129 N 0.00 0.00 -0.06 1.25 4.64 -0.62 -2.39 113.55 116.37 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 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2nyu h SER 129 CO 0.03 0.43 0.00 1.33 -0.87 0.00 0.00 176.83 177.75 2nyu n VAL 130 N -3.64 0.05 -0.13 0.95 0.24 -1.04 -4.42 118.33 110.33 2nyu n VAL 130 Ca -0.01 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 2nyu n VAL 130 Cb 0.52 1.23 0.02 0.00 -1.47 0.00 0.00 33.84 34.14 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 4.16 1.27 -1.05 3.34 2.02 -1.03 -2.79 112.91 118.83 2nyu h THR 131 Ca 0.00 -1.40 0.30 0.00 0.77 0.00 0.00 66.41 66.08 2nyu h THR 131 Cb 0.89 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 2nyu h THR 131 CO 0.00 0.48 0.75 -0.65 0.37 0.00 0.00 175.52 176.46 2nyu h PRO 132 N 0.79 0.04 0.00 6.66 0.11 -1.77 0.55 132.00 138.38 2nyu h PRO 132 Ca 0.10 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 2nyu h PRO 132 Cb 0.81 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2nyu h PRO 132 CO 0.07 0.03 -0.56 -0.44 -0.21 0.00 0.00 178.00 176.89 2nyu h ASP 133 N 0.04 0.00 0.00 -2.05 3.32 -1.80 -3.40 116.42 112.52 2nyu h ASP 133 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2nyu h ASP 133 Cb 1.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.50 2nyu h ASP 133 CO -0.03 0.56 -0.87 0.00 -1.72 0.00 0.00 179.24 177.17 2nyu n ILE 134 N -3.32 0.00 -3.12 0.35 0.13 0.12 -4.95 119.36 108.57 2nyu n ILE 134 Ca 0.01 0.00 -0.40 0.00 -1.10 0.00 0.00 62.75 61.26 2nyu n ILE 134 Cb 0.72 -0.27 -0.06 0.00 -0.84 0.00 0.00 39.64 39.18 2nyu n ILE 134 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2nyu s LEU 135 N -3.16 4.08 0.15 9.51 2.96 0.15 -0.49 118.68 131.88 2nyu s LEU 135 Ca 0.00 0.72 -0.34 0.00 -0.22 0.00 0.00 54.13 54.29 2nyu s LEU 135 Cb 0.00 -2.85 -0.15 0.00 0.50 0.00 0.00 46.19 43.69 2nyu s LEU 135 CO 0.00 -0.34 1.44 1.67 -1.32 0.00 0.00 176.35 177.79 2nyu n GLN 136 N 5.54 1.71 -1.51 1.98 -0.06 -0.41 -4.85 117.38 119.79 2nyu n GLN 136 Ca -0.01 0.62 -0.49 0.00 -2.00 0.00 0.00 57.00 55.11 2nyu n GLN 136 Cb 0.49 -2.30 -0.04 0.00 -4.06 0.00 0.00 30.24 24.33 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 2.76 0.62 -0.55 3.69 -0.02 -1.26 -1.16 135.00 139.08 2nyu n PRO 137 Ca 0.16 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2nyu n PRO 137 Cb 0.26 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.78 0.86 3.73 -1.23 0.00 0.14 -4.89 105.19 105.58 2nyu n GLY 138 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.66 3.23 -0.02 0.00 -0.31 -3.70 105.19 101.72 2nyu n GLY 139 Ca 0.00 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.48 1.61 -0.10 2.61 2.01 -0.55 -1.99 115.64 115.75 2nyu s THR 140 Ca 0.69 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 2nyu s THR 140 Cb -0.03 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.14 2nyu s THR 140 CO 0.48 0.30 -0.01 0.12 -0.69 0.00 0.00 174.62 174.81 2nyu s PHE 141 N -0.66 0.94 -0.19 4.92 5.36 -0.17 -0.58 117.98 127.60 2nyu s PHE 141 Ca 0.07 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 2nyu s PHE 141 Cb -0.08 -0.95 0.02 0.00 -0.34 0.00 0.00 43.02 41.67 2nyu s PHE 141 CO 0.01 -0.42 -0.19 -1.17 -1.46 0.00 0.00 175.22 171.99 2nyu s LEU 142 N 1.88 2.23 -0.00 6.12 2.96 0.15 -0.34 118.68 131.68 2nyu s LEU 142 Ca 0.04 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 2nyu s LEU 142 Cb -0.13 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2nyu s LEU 142 CO -0.06 -0.02 -0.14 0.00 -1.32 0.00 0.00 176.35 174.81 2nyu s LYS 144 N -0.48 4.52 0.18 0.00 -2.85 -0.27 -1.10 119.74 119.75 2nyu s LYS 144 Ca 0.05 1.15 0.03 0.00 -1.00 0.00 0.00 55.97 56.19 2nyu s LYS 144 Cb -0.06 -3.11 -0.05 0.00 -2.06 0.00 0.00 37.83 32.56 2nyu s LYS 144 CO -0.00 0.48 -0.03 0.99 0.10 0.00 0.00 175.35 176.90 2nyu s THR 145 N -1.31 0.90 -0.16 3.79 2.01 0.33 -4.90 115.64 116.30 2nyu s THR 145 Ca 0.40 -2.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.33 2nyu s THR 145 Cb -0.21 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2nyu s THR 145 CO 0.25 -0.51 0.04 0.26 -0.69 0.00 0.00 174.62 173.98 2nyu s TRP 146 N -3.51 3.23 0.13 4.92 0.51 -1.26 -0.54 118.94 122.42 2nyu s TRP 146 Ca 0.23 0.07 -0.34 0.00 -2.12 0.00 0.00 56.10 53.93 2nyu s TRP 146 Cb 0.05 -2.01 -0.16 0.00 -0.81 0.00 0.00 33.47 30.54 2nyu s TRP 146 CO 0.04 0.21 1.16 0.00 -0.51 0.00 0.00 176.95 177.86 2nyu n ALA 147 N 3.23 -1.26 -3.60 0.98 0.00 -1.26 -4.92 120.51 113.67 2nyu n ALA 147 Ca -0.17 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.77 2nyu n ALA 147 Cb 0.53 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 2nyu n ALA 147 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2nyu s GLY 148 N 0.06 -0.39 0.40 0.00 0.00 -1.26 -5.03 107.32 101.10 2nyu s GLY 148 Ca 0.77 1.10 0.22 0.00 0.00 0.00 0.00 44.72 46.81 2nyu s GLY 148 CO 0.52 0.28 1.69 1.48 0.00 0.00 0.00 173.10 177.06 2nyu h SER 149 N 2.00 0.00 0.42 1.64 4.64 -2.01 -3.23 113.55 117.01 2nyu h SER 149 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2nyu h SER 149 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nyu h SER 149 CO 0.26 0.27 -0.33 0.00 -0.87 0.00 0.00 176.83 176.16 2nyu n GLN 150 N -3.29 0.40 0.31 4.77 1.13 -1.26 -3.54 117.38 115.90 2nyu n GLN 150 Ca 0.01 -0.21 0.20 0.00 -1.94 0.00 0.00 57.00 55.06 2nyu n GLN 150 Cb 0.53 -1.50 0.97 0.00 0.11 0.00 0.00 30.24 30.36 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 0.52 0.00 0.41 1.08 0.02 -1.91 -2.73 113.55 110.94 2nyu h SER 151 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2nyu h SER 151 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2nyu h SER 151 CO 0.00 0.01 -0.27 0.03 -1.14 0.00 0.00 176.83 175.46 2nyu h ARG 152 N 0.00 0.00 -0.17 3.45 -0.00 -1.81 -1.15 114.38 114.70 2nyu h ARG 152 Ca -0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.33 2nyu h ARG 152 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 2nyu h ARG 152 CO 0.00 0.27 -0.52 0.07 0.00 0.00 0.00 179.97 179.79 2nyu h ARG 153 N 0.00 0.49 -0.14 0.04 0.11 -1.76 -2.43 114.38 110.69 2nyu h ARG 153 Ca -0.00 -0.30 -0.02 0.00 0.10 0.00 0.00 59.98 59.76 2nyu h ARG 153 Cb 0.55 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 2nyu h ARG 153 CO 0.04 0.90 0.01 1.25 0.10 0.00 0.00 179.97 182.26 2nyu h LEU 154 N 0.38 0.24 -1.47 0.08 5.85 -1.58 -2.98 115.31 115.83 2nyu h LEU 154 Ca 0.01 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2nyu h LEU 154 Cb 1.05 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2nyu h LEU 154 CO 0.10 0.47 0.16 -0.61 -0.34 0.00 0.00 178.44 178.22 2nyu h GLN 155 N 0.00 0.52 0.00 1.25 4.15 -1.15 -2.30 115.11 117.59 2nyu h GLN 155 Ca 0.04 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 2nyu h GLN 155 Cb 0.34 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 2nyu h GLN 155 CO 0.01 0.42 -0.87 0.00 -1.93 0.00 0.00 178.83 176.46 2nyu h ARG 156 N 0.52 0.00 -0.17 1.69 3.08 -1.42 -1.25 114.38 116.83 2nyu h ARG 156 Ca 0.13 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.01 2nyu h ARG 156 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.14 2nyu h ARG 156 CO -0.02 0.86 -0.57 -0.09 -1.07 0.00 0.00 179.97 179.08 2nyu h ARG 157 N 0.00 0.69 -0.66 0.04 2.43 -1.30 -2.03 114.38 113.54 2nyu h ARG 157 Ca -0.01 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2nyu h ARG 157 Cb 1.67 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.27 2nyu h ARG 157 CO 0.11 1.13 0.38 -0.07 -1.51 0.00 0.00 179.97 180.01 2nyu h LEU 158 N 0.38 0.81 -1.90 3.80 3.38 -1.44 -1.84 115.31 118.51 2nyu h LEU 158 Ca -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2nyu h LEU 158 Cb 1.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2nyu h LEU 158 CO 0.12 0.65 0.01 0.74 0.09 0.00 0.00 178.44 180.06 2nyu h THR 159 N 0.90 1.03 0.02 0.22 2.02 -1.15 -0.84 112.91 115.11 2nyu h THR 159 Ca 0.24 -0.11 -0.21 0.00 0.77 0.00 0.00 66.41 67.10 2nyu h THR 159 Cb 0.01 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2nyu h THR 159 CO -0.04 0.04 -1.00 -0.33 0.37 0.00 0.00 175.52 174.55 2nyu h GLU 160 N 0.08 0.06 0.00 6.66 3.07 -0.96 -3.38 114.58 120.11 2nyu h GLU 160 Ca 0.02 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2nyu h GLU 160 Cb 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2nyu h GLU 160 CO -0.00 1.00 -0.95 0.39 -1.40 0.00 0.00 179.01 178.05 2nyu n GLU 161 N -3.44 0.82 -4.18 2.33 1.02 -0.73 -4.97 120.64 111.49 2nyu n GLU 161 Ca -0.02 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 2nyu n GLU 161 Cb 0.92 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.85 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 -2.80 1.07 0.17 -0.32 0.08 -0.39 -0.84 117.98 114.95 2nyu s PHE 162 Ca 0.06 -0.69 -0.07 0.00 0.12 0.00 0.00 56.93 56.36 2nyu s PHE 162 Cb 0.14 -0.58 0.06 0.00 -0.57 0.00 0.00 43.02 42.07 2nyu s PHE 162 CO 0.77 -0.00 1.51 0.37 -0.10 0.00 0.00 175.22 177.77 2nyu h GLN 163 N 3.43 0.76 -4.02 0.44 5.75 -0.93 -3.44 115.11 117.09 2nyu h GLN 163 Ca -0.37 -0.41 -0.30 0.00 -0.15 0.00 0.00 58.65 57.42 2nyu h GLN 163 Cb 1.19 0.02 -0.29 0.00 1.07 0.00 0.00 27.48 29.46 2nyu h GLN 163 CO 0.55 1.04 -0.74 -0.80 -2.65 0.00 0.00 178.83 176.22 2nyu s ASN 164 N -6.87 0.39 -0.07 -0.69 -0.87 -1.00 -5.01 114.94 100.83 2nyu s ASN 164 Ca -0.09 -0.05 0.01 0.00 -1.57 0.00 0.00 52.86 51.15 2nyu s ASN 164 Cb 0.11 -0.08 0.02 0.00 -0.02 0.00 0.00 41.25 41.29 2nyu s ASN 164 CO 0.86 0.01 -0.06 -0.69 -2.57 0.00 0.00 177.10 174.65 2nyu s VAL 165 N 0.13 0.75 0.09 1.60 1.01 -1.26 -0.53 120.40 122.19 2nyu s VAL 165 Ca -0.01 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2nyu s VAL 165 Cb -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2nyu s VAL 165 CO -0.00 0.29 -0.16 -0.13 0.00 0.00 0.00 175.10 175.10 2nyu s ARG 166 N 1.14 1.95 -0.23 2.72 0.52 0.10 -4.97 118.95 120.19 2nyu s ARG 166 Ca -0.07 -1.09 -0.05 0.00 -0.52 0.00 0.00 55.73 54.01 2nyu s ARG 166 Cb -0.14 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 2nyu s ARG 166 CO -0.01 0.50 -0.00 0.42 0.02 0.00 0.00 175.30 176.23 2nyu s ILE 167 N -1.11 3.73 -0.13 1.52 1.01 -1.26 -1.29 121.20 123.67 2nyu s ILE 167 Ca 0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 2nyu s ILE 167 Cb -0.11 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 2nyu s ILE 167 CO 0.10 0.39 -0.06 -0.63 0.00 0.00 0.00 174.94 174.75 2nyu s ILE 168 N 1.50 3.75 0.25 2.92 1.01 0.16 -4.97 121.20 125.80 2nyu s ILE 168 Ca 0.06 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.35 2nyu s ILE 168 Cb -0.15 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2nyu s ILE 168 CO -0.01 0.52 0.20 -1.59 0.00 0.00 0.00 174.94 174.07 2nyu s LYS 169 N 0.09 2.94 0.55 2.79 0.00 -1.26 -0.99 119.74 123.86 2nyu s LYS 169 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 54.92 2nyu s LYS 169 Cb -0.14 -2.58 0.00 0.00 0.00 0.00 0.00 37.83 35.12 2nyu s LYS 169 CO 0.03 0.40 0.00 0.43 0.00 0.00 0.00 175.35 176.22 2nyu n SER 177 N -1.16 -8.02 -2.77 0.03 7.64 -1.26 -4.83 113.62 103.25 2nyu n SER 177 Ca -0.08 1.69 -0.01 0.00 1.01 0.00 0.00 58.87 61.48 2nyu n SER 177 Cb 0.58 -4.94 0.08 0.00 -1.01 0.00 0.00 64.21 58.91 2nyu n SER 177 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2nyu n SER 178 N -2.36 0.43 -4.77 6.43 7.64 -1.26 -5.10 113.62 114.62 2nyu n SER 178 Ca 0.00 -2.12 -0.31 0.00 1.01 0.00 0.00 58.87 57.45 2nyu n SER 178 Cb 0.39 -0.04 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 2nyu n SER 178 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2nyu s GLU 179 N -2.32 2.42 -0.03 1.43 1.03 -1.26 -4.10 118.70 115.87 2nyu s GLU 179 Ca 0.21 1.19 0.02 0.00 0.03 0.00 0.00 54.97 56.41 2nyu s GLU 179 Cb 0.37 -1.92 0.01 0.00 -0.80 0.00 0.00 34.13 31.79 2nyu s GLU 179 CO -0.07 -1.52 -0.07 0.08 -1.33 0.00 0.00 175.26 172.35 2nyu s VAL 180 N -2.81 0.64 -0.01 1.83 1.01 0.30 -4.74 120.40 116.62 2nyu s VAL 180 Ca 0.62 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2nyu s VAL 180 Cb -0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2nyu s VAL 180 CO 0.53 0.22 -0.04 -0.31 0.00 0.00 0.00 175.10 175.50 2nyu s TYR 181 N 0.36 2.99 -0.16 5.22 2.02 -0.16 0.12 117.35 127.74 2nyu s TYR 181 Ca -0.05 0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.58 2nyu s TYR 181 Cb -0.09 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2nyu s TYR 181 CO 0.00 0.41 0.18 -0.06 -1.57 0.00 0.00 175.55 174.51 2nyu s PHE 182 N -1.01 3.49 -0.27 2.71 0.08 -0.26 -0.67 117.98 122.05 2nyu s PHE 182 Ca 0.17 0.47 0.03 0.00 0.12 0.00 0.00 56.93 57.72 2nyu s PHE 182 Cb -0.11 -2.14 0.07 0.00 -0.57 0.00 0.00 43.02 40.26 2nyu s PHE 182 CO 0.08 0.42 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.38 2nyu s LEU 183 N -0.06 3.59 -0.13 -0.37 2.96 -0.41 -0.91 118.68 123.36 2nyu s LEU 183 Ca 0.12 -1.54 -0.01 0.00 -0.22 0.00 0.00 54.13 52.48 2nyu s LEU 183 Cb -0.12 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2nyu s LEU 183 CO 0.02 -0.24 -0.09 0.00 -1.32 0.00 0.00 176.35 174.72 2nyu s ALA 184 N 1.11 2.82 0.13 5.97 0.00 0.54 -0.72 121.76 131.60 2nyu s ALA 184 Ca -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2nyu s ALA 184 Cb -0.20 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2nyu s ALA 184 CO -0.06 0.30 -0.10 0.95 0.00 0.00 0.00 175.76 176.84 2nyu s THR 185 N 0.14 1.10 -0.92 0.00 -4.23 0.31 -1.00 115.64 111.03 2nyu s THR 185 Ca -0.04 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 2nyu s THR 185 Cb -0.14 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 2nyu s THR 185 CO 0.04 -0.69 0.76 0.00 -0.54 0.00 0.00 174.62 174.18 2nyu n GLN 186 N 0.03 -1.51 -1.63 3.99 1.13 -0.92 -2.37 117.38 116.09 2nyu n GLN 186 Ca -0.12 0.98 -0.48 0.00 -1.94 0.00 0.00 57.00 55.43 2nyu n GLN 186 Cb 0.60 -4.80 -0.05 0.00 0.11 0.00 0.00 30.24 26.09 2nyu n GLN 186 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2nyu n TYR 187 N -2.85 1.91 -0.06 1.08 -0.00 -0.84 -1.19 117.16 115.20 2nyu n TYR 187 Ca -0.09 0.45 -0.13 0.00 -0.00 0.00 0.00 57.90 58.13 2nyu n TYR 187 Cb 0.58 -2.44 -0.06 0.00 -0.00 0.00 0.00 39.34 37.42 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 5.13 0.54 0.00 2.98 3.86 -1.34 0.40 115.15 126.71 2nyu h HIS 188 Ca -0.46 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 2nyu h HIS 188 Cb 1.29 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2nyu h HIS 188 CO 0.61 0.81 0.00 0.41 0.86 0.00 0.00 177.93 180.62