#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9y s GLN 2 N 0.00 0.43 -0.13 2.12 0.74 -1.12 -4.96 119.66 116.75 1p9y s GLN 2 Ca 0.00 0.83 0.02 0.00 0.05 0.00 0.00 55.36 56.26 1p9y s GLN 2 Cb 0.00 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.35 1p9y s GLN 2 CO 0.00 -0.10 -0.17 0.08 -0.55 0.00 0.00 175.29 174.54 1p9y s VAL 3 N 1.74 1.68 -0.05 1.34 1.01 -1.26 -0.78 120.40 124.08 1p9y s VAL 3 Ca -0.08 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1p9y s VAL 3 Cb -0.05 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1p9y s VAL 3 CO -0.17 0.48 -0.13 -0.44 0.00 0.00 0.00 175.10 174.85 1p9y s SER 4 N 1.02 1.71 -0.01 3.32 0.01 0.04 -4.99 113.70 114.80 1p9y s SER 4 Ca -0.05 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.95 1p9y s SER 4 Cb -0.15 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1p9y s SER 4 CO -0.03 0.08 -0.01 -0.69 0.41 0.00 0.00 173.24 173.00 1p9y s VAL 5 N 0.34 4.10 0.02 3.43 1.01 -1.26 -0.24 120.40 127.80 1p9y s VAL 5 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1p9y s VAL 5 Cb -0.12 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1p9y s VAL 5 CO 0.02 0.41 -0.03 -1.61 0.00 0.00 0.00 175.10 173.89 1p9y s GLU 6 N -1.44 0.29 -0.20 2.72 2.02 0.73 -4.98 118.70 117.84 1p9y s GLU 6 Ca 0.18 -0.51 -0.13 0.00 0.02 0.00 0.00 54.97 54.54 1p9y s GLU 6 Cb -0.11 0.01 -0.05 0.00 0.10 0.00 0.00 34.13 34.08 1p9y s GLU 6 CO 0.09 -0.02 0.25 0.99 0.02 0.00 0.00 175.26 176.59 1p9y s THR 7 N -1.14 5.32 0.00 3.63 2.01 -1.26 -0.36 115.64 123.83 1p9y s THR 7 Ca -0.12 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1p9y s THR 7 Cb -0.08 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1p9y s THR 7 CO -0.01 0.35 0.00 0.35 -0.69 0.00 0.00 174.62 174.63 1p9y n THR 8 N 3.95 0.00 -3.65 -0.82 -2.24 -0.49 -4.94 114.28 106.08 1p9y n THR 8 Ca -0.13 0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1p9y n THR 8 Cb 0.52 -1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 1p9y n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p9y s GLN 9 N -0.53 0.68 7.62 -0.78 -2.07 -1.25 -5.00 119.66 118.34 1p9y s GLN 9 Ca 0.00 1.02 0.00 0.00 -1.82 0.00 0.00 55.36 54.56 1p9y s GLN 9 Cb 0.00 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1p9y s GLN 9 CO 0.00 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1p9y n GLY 10 N 3.58 2.93 0.53 2.60 0.00 -1.26 -1.45 105.19 112.13 1p9y n GLY 10 Ca -0.18 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1p9y n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p9y n LEU 11 N 0.00 1.61 -4.75 0.99 4.77 -1.26 -4.92 117.00 113.45 1p9y n LEU 11 Ca 0.00 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 1p9y n LEU 11 Cb 0.00 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1p9y n LEU 11 CO 0.00 0.33 0.84 -0.83 -1.33 0.00 0.00 177.39 176.41 1p9y s GLY 12 N -1.61 2.86 0.12 -0.72 0.00 -0.53 -0.61 107.32 106.83 1p9y s GLY 12 Ca 0.33 0.93 0.02 0.00 0.00 0.00 0.00 44.72 46.00 1p9y s GLY 12 CO 0.27 1.71 -0.05 0.50 0.00 0.00 0.00 173.10 175.53 1p9y s ARG 13 N -0.78 0.91 -0.05 2.90 1.81 0.83 -1.40 118.95 123.17 1p9y s ARG 13 Ca 0.49 -1.39 -0.02 0.00 -1.72 0.00 0.00 55.73 53.09 1p9y s ARG 13 Cb -0.32 -0.22 0.04 0.00 -0.45 0.00 0.00 34.95 33.99 1p9y s ARG 13 CO 0.39 -0.05 0.09 0.50 -0.68 0.00 0.00 175.30 175.56 1p9y s ARG 14 N -3.86 0.01 -0.27 3.54 3.52 0.52 -1.99 118.95 120.42 1p9y s ARG 14 Ca 0.15 0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 56.04 1p9y s ARG 14 Cb 0.05 -0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.16 1p9y s ARG 14 CO -0.02 -0.22 0.05 0.08 -0.81 0.00 0.00 175.30 174.37 1p9y s VAL 15 N 1.53 3.87 -0.21 7.11 1.01 0.46 -0.19 120.40 133.98 1p9y s VAL 15 Ca -0.04 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1p9y s VAL 15 Cb -0.12 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1p9y s VAL 15 CO -0.04 0.20 0.05 -0.89 0.00 0.00 0.00 175.10 174.41 1p9y s THR 16 N 1.51 4.38 -0.03 3.92 2.01 0.66 -0.74 115.64 127.35 1p9y s THR 16 Ca 0.04 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1p9y s THR 16 Cb -0.16 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1p9y s THR 16 CO 0.01 0.40 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.53 1p9y s ILE 17 N 1.01 1.49 -0.19 1.82 1.01 0.19 -0.78 121.20 125.75 1p9y s ILE 17 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1p9y s ILE 17 Cb -0.14 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1p9y s ILE 17 CO 0.03 0.42 -0.08 -0.89 0.00 0.00 0.00 174.94 174.42 1p9y s THR 18 N -0.21 3.16 -0.22 2.92 2.01 0.04 -1.51 115.64 121.82 1p9y s THR 18 Ca 0.02 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1p9y s THR 18 Cb -0.10 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1p9y s THR 18 CO 0.01 0.47 0.12 -0.63 -0.69 0.00 0.00 174.62 173.89 1p9y s ILE 19 N 1.11 5.05 0.29 1.82 1.01 0.90 0.15 121.20 131.53 1p9y s ILE 19 Ca 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1p9y s ILE 19 Cb -0.15 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 1p9y s ILE 19 CO -0.02 0.38 1.56 0.00 0.00 0.00 0.00 174.94 176.86 1p9y s ALA 20 N 0.89 3.72 0.41 9.38 0.00 -1.26 -0.60 121.76 134.30 1p9y s ALA 20 Ca 0.06 1.52 0.15 0.00 0.00 0.00 0.00 51.96 53.70 1p9y s ALA 20 Cb -0.13 -3.63 1.02 0.00 0.00 0.00 0.00 23.12 20.38 1p9y s ALA 20 CO 0.03 -0.94 1.87 0.00 0.00 0.00 0.00 175.76 176.72 1p9y h ALA 21 N 4.82 2.10 -0.52 0.00 0.00 -1.91 -0.33 119.26 123.43 1p9y h ALA 21 Ca -0.47 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1p9y h ALA 21 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1p9y h ALA 21 CO 0.78 -0.37 0.09 -0.44 0.00 0.00 0.00 179.25 179.31 1p9y h ASP 22 N 0.47 0.82 -0.48 0.00 5.19 -1.91 -2.08 116.42 118.43 1p9y h ASP 22 Ca 0.45 -0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 56.56 1p9y h ASP 22 Cb 1.02 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 1p9y h ASP 22 CO -0.18 0.87 0.15 0.28 -3.12 0.00 0.00 179.24 177.24 1p9y h SER 23 N 0.74 0.75 0.42 6.45 0.02 -1.44 -1.95 113.55 118.54 1p9y h SER 23 Ca 0.16 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1p9y h SER 23 Cb 0.40 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1p9y h SER 23 CO 0.01 0.73 -0.20 0.40 -1.14 0.00 0.00 176.83 176.62 1p9y h ILE 24 N 0.79 0.52 -1.01 3.27 2.04 -1.18 -2.50 117.51 119.44 1p9y h ILE 24 Ca 0.18 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1p9y h ILE 24 Cb 0.26 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1p9y h ILE 24 CO -0.01 0.07 0.65 -0.33 0.00 0.00 0.00 178.15 178.54 1p9y h GLU 25 N -0.85 1.19 -0.83 2.37 4.39 -1.30 0.78 114.58 120.32 1p9y h GLU 25 Ca -0.06 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1p9y h GLU 25 Cb 0.55 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1p9y h GLU 25 CO 0.10 0.79 0.40 1.15 -1.16 0.00 0.00 179.01 180.28 1p9y h THR 26 N 1.22 1.26 -0.15 1.13 2.02 -1.37 0.54 112.91 117.56 1p9y h THR 26 Ca 0.42 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1p9y h THR 26 Cb 0.09 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1p9y h THR 26 CO -0.15 0.31 -0.23 0.00 0.37 0.00 0.00 175.52 175.82 1p9y h ALA 27 N 1.25 0.23 -0.42 6.16 0.00 -0.85 -2.32 119.26 123.31 1p9y h ALA 27 Ca 0.29 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1p9y h ALA 27 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1p9y h ALA 27 CO -0.04 0.19 0.22 0.28 0.00 0.00 0.00 179.25 179.90 1p9y h VAL 28 N 0.04 0.99 -0.71 0.00 2.07 -0.66 -0.68 116.25 117.30 1p9y h VAL 28 Ca 0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1p9y h VAL 28 Cb 0.80 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1p9y h VAL 28 CO 0.05 0.08 0.44 0.50 0.02 0.00 0.00 177.57 178.66 1p9y h LYS 29 N 0.44 0.96 -0.03 1.57 3.64 -0.88 -1.73 116.57 120.54 1p9y h LYS 29 Ca 0.18 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 1p9y h LYS 29 Cb 0.07 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1p9y h LYS 29 CO -0.12 0.67 -0.74 0.66 -2.27 0.00 0.00 179.45 177.66 1p9y h SER 30 N 0.97 0.25 0.34 4.20 4.64 -1.04 -2.54 113.55 120.37 1p9y h SER 30 Ca 0.26 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 1p9y h SER 30 Cb -0.05 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1p9y h SER 30 CO -0.05 0.90 -0.55 -0.08 -0.87 0.00 0.00 176.83 176.19 1p9y h GLU 31 N 0.14 0.22 -0.35 4.77 4.81 -0.98 -2.26 114.58 120.92 1p9y h GLU 31 Ca -0.02 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1p9y h GLU 31 Cb 1.31 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1p9y h GLU 31 CO 0.11 0.71 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.94 1p9y h LEU 32 N 0.17 0.58 -0.61 1.64 3.38 -1.16 0.75 115.31 120.06 1p9y h LEU 32 Ca 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1p9y h LEU 32 Cb 1.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1p9y h LEU 32 CO 0.08 0.71 0.18 0.58 0.09 0.00 0.00 178.44 180.08 1p9y h VAL 33 N 0.55 1.25 -0.48 1.22 2.07 -1.07 -1.57 116.25 118.22 1p9y h VAL 33 Ca 0.10 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1p9y h VAL 33 Cb 0.49 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1p9y h VAL 33 CO 0.03 0.32 -0.11 0.78 0.02 0.00 0.00 177.57 178.61 1p9y h ASN 34 N 0.87 0.87 -0.68 0.57 2.35 -0.82 -2.87 115.58 115.87 1p9y h ASN 34 Ca 0.19 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1p9y h ASN 34 Cb 0.30 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1p9y h ASN 34 CO -0.00 1.00 0.18 0.58 -1.65 0.00 0.00 177.43 177.53 1p9y h VAL 35 N 0.79 1.26 -0.88 2.81 2.07 -0.63 -2.72 116.25 118.95 1p9y h VAL 35 Ca 0.13 -0.94 0.15 0.00 0.82 0.00 0.00 66.70 66.86 1p9y h VAL 35 Cb 0.63 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1p9y h VAL 35 CO 0.04 0.36 0.57 0.00 0.02 0.00 0.00 177.57 178.56 1p9y h ALA 36 N 1.08 1.92 0.00 1.67 0.00 -1.07 0.08 119.26 122.94 1p9y h ALA 36 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1p9y h ALA 36 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1p9y h ALA 36 CO 0.00 -0.16 -0.00 0.87 0.00 0.00 0.00 179.25 179.95 1p9y h LYS 37 N 0.62 0.00 0.00 0.00 1.57 -1.42 -2.64 116.57 114.69 1p9y h LYS 37 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1p9y h LYS 37 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1p9y h LYS 37 CO -0.20 0.00 -0.96 1.63 -0.57 0.00 0.00 179.45 179.35 1p9y n LYS 38 N -3.09 0.13 -3.11 3.15 5.02 -0.01 -4.06 118.16 116.19 1p9y n LYS 38 Ca -0.00 -0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 1p9y n LYS 38 Cb 0.25 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1p9y n LYS 38 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p9y s VAL 39 N -3.10 5.01 -0.12 -0.18 1.01 -1.00 -4.84 120.40 117.19 1p9y s VAL 39 Ca 0.06 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 1p9y s VAL 39 Cb 0.16 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1p9y s VAL 39 CO 0.81 0.31 -0.09 -0.60 0.00 0.00 0.00 175.10 175.53 1p9y s ARG 40 N 0.50 1.74 -0.30 2.72 3.52 -1.26 0.90 118.95 126.76 1p9y s ARG 40 Ca 0.35 -0.34 -0.20 0.00 -0.13 0.00 0.00 55.73 55.41 1p9y s ARG 40 Cb -0.18 -1.73 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 1p9y s ARG 40 CO 0.17 -0.26 0.62 0.42 -0.81 0.00 0.00 175.30 175.44 1p9y s ILE 41 N 1.65 4.95 0.00 4.11 -1.09 -1.26 -4.90 121.20 124.66 1p9y s ILE 41 Ca 0.05 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1p9y s ILE 41 Cb -0.13 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1p9y s ILE 41 CO -0.09 -0.11 0.00 -0.67 -1.23 0.00 0.00 174.94 172.84 1p9y n ASP 42 N 5.83 0.00 -1.15 3.58 4.64 -1.26 -1.64 116.55 126.55 1p9y n ASP 42 Ca -0.01 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.48 1p9y n ASP 42 Cb 0.49 0.00 0.28 0.00 -1.04 0.00 0.00 41.12 40.85 1p9y n ASP 42 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1p9y n GLY 43 N 0.00 3.20 3.81 0.27 0.00 -1.26 -4.99 105.19 106.22 1p9y n GLY 43 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1p9y n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p9y s LEU 44 N -2.04 2.63 0.26 0.99 1.43 -0.65 -4.96 118.68 116.35 1p9y s LEU 44 Ca 0.42 1.31 -0.31 0.00 -1.03 0.00 0.00 54.13 54.52 1p9y s LEU 44 Cb 0.29 -3.94 -0.13 0.00 0.03 0.00 0.00 46.19 42.44 1p9y s LEU 44 CO 0.17 -1.92 1.47 -1.14 0.23 0.00 0.00 176.35 175.16 1p9y n ARG 45 N -3.40 2.27 -1.77 1.70 3.00 -1.26 -4.50 116.66 112.69 1p9y n ARG 45 Ca 0.07 0.81 -0.41 0.00 -0.00 0.00 0.00 57.85 58.32 1p9y n ARG 45 Cb 0.56 -2.51 -0.00 0.00 0.00 0.00 0.00 32.46 30.51 1p9y n ARG 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1p9y n LYS 46 N 2.06 2.71 -0.63 -0.14 4.81 -1.26 -1.63 118.16 124.08 1p9y n LYS 46 Ca 0.10 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 1p9y n LYS 46 Cb 0.33 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.68 1p9y n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p9y n GLY 47 N 0.77 0.89 3.31 3.14 0.00 0.26 -4.97 105.19 108.59 1p9y n GLY 47 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1p9y n GLY 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p9y n LYS 48 N -2.00 3.64 -3.73 1.61 4.81 -0.64 -4.79 118.16 117.06 1p9y n LYS 48 Ca 0.00 -4.42 -0.12 0.00 -0.87 0.00 0.00 58.31 52.90 1p9y n LYS 48 Cb 0.00 -2.58 -0.12 0.00 0.02 0.00 0.00 35.03 32.34 1p9y n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1p9y s VAL 49 N -1.26 -0.03 0.27 3.15 1.01 -1.26 -4.56 120.40 117.72 1p9y s VAL 49 Ca 0.32 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1p9y s VAL 49 Cb -0.08 -0.42 -0.14 0.00 0.00 0.00 0.00 36.38 35.75 1p9y s VAL 49 CO -0.05 0.04 1.17 -2.65 0.00 0.00 0.00 175.10 173.61 1p9y n PRO 50 N 3.96 1.61 -0.31 2.72 -0.02 -1.26 -4.83 135.00 136.87 1p9y n PRO 50 Ca -0.22 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1p9y n PRO 50 Cb 0.54 -2.06 0.13 0.00 -0.02 0.00 0.00 33.50 32.10 1p9y n PRO 50 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1p9y h MET 51 N 2.75 0.96 0.00 -0.52 2.86 -1.99 -1.42 114.93 117.57 1p9y h MET 51 Ca -0.42 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1p9y h MET 51 Cb 1.32 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1p9y h MET 51 CO 0.65 0.64 -0.03 -2.95 1.06 0.00 0.00 176.91 176.28 1p9y h ASN 52 N 0.99 0.00 0.24 1.22 7.08 -1.99 0.94 115.58 124.06 1p9y h ASN 52 Ca 0.36 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 53.25 1p9y h ASN 52 Cb 0.13 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.40 1p9y h ASN 52 CO -0.16 0.03 -1.49 0.40 -2.08 0.00 0.00 177.43 174.13 1p9y h ILE 53 N 0.00 1.23 -0.75 6.14 1.08 -1.63 -2.54 117.51 121.03 1p9y h ILE 53 Ca -0.00 -2.65 -0.04 0.00 -0.39 0.00 0.00 64.86 61.77 1p9y h ILE 53 Cb 0.09 3.01 -0.03 0.00 -3.07 0.00 0.00 36.82 36.81 1p9y h ILE 53 CO 0.00 0.81 0.30 0.58 -0.69 0.00 0.00 178.15 179.16 1p9y h VAL 54 N 0.10 1.25 -0.38 1.67 2.07 -0.73 -1.90 116.25 118.33 1p9y h VAL 54 Ca -0.27 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1p9y h VAL 54 Cb 2.12 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1p9y h VAL 54 CO 0.25 0.32 0.12 0.00 0.02 0.00 0.00 177.57 178.29 1p9y h ALA 55 N 1.23 0.50 -0.47 1.67 0.00 -0.90 -0.23 119.26 121.06 1p9y h ALA 55 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1p9y h ALA 55 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1p9y h ALA 55 CO -0.02 0.14 0.26 0.37 0.00 0.00 0.00 179.25 180.00 1p9y h GLN 56 N 0.47 0.65 0.16 0.00 4.15 -1.11 0.33 115.11 119.76 1p9y h GLN 56 Ca 0.12 -0.07 -0.29 0.00 0.77 0.00 0.00 58.65 59.18 1p9y h GLN 56 Cb 0.25 -0.13 0.03 0.00 0.21 0.00 0.00 27.48 27.84 1p9y h GLN 56 CO -0.00 0.51 -1.24 0.00 -1.93 0.00 0.00 178.83 176.16 1p9y h ARG 57 N 0.62 0.56 -0.00 1.69 3.08 -1.32 -3.40 114.38 115.61 1p9y h ARG 57 Ca 0.17 -0.82 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1p9y h ARG 57 Cb 0.04 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1p9y h ARG 57 CO -0.03 1.38 -0.19 0.66 -1.07 0.00 0.00 179.97 180.72 1p9y n TYR 58 N -3.83 0.00 0.00 3.04 4.01 -0.10 -4.79 117.16 115.49 1p9y n TYR 58 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 1p9y n TYR 58 Cb 0.99 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.97 1p9y n TYR 58 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1p9y h GLY 59 N 1.52 -0.52 0.96 2.72 0.00 -0.36 -0.89 103.07 106.49 1p9y h GLY 59 Ca 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1p9y h GLY 59 CO 0.00 -0.22 0.14 0.00 0.00 0.00 0.00 176.54 176.45 1p9y h ALA 60 N 0.33 0.31 -0.40 3.60 0.00 -1.87 -1.27 119.26 119.96 1p9y h ALA 60 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1p9y h ALA 60 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1p9y h ALA 60 CO -0.36 -0.17 0.08 0.77 0.00 0.00 0.00 179.25 179.57 1p9y h SER 61 N 0.29 0.56 -0.08 0.00 0.02 -1.85 -1.23 113.55 111.25 1p9y h SER 61 Ca 0.09 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1p9y h SER 61 Cb 0.05 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1p9y h SER 61 CO -0.01 0.57 -0.61 0.58 -1.14 0.00 0.00 176.83 176.21 1p9y h VAL 62 N 0.59 1.30 -0.80 2.27 2.07 -0.99 -2.03 116.25 118.67 1p9y h VAL 62 Ca 0.13 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1p9y h VAL 62 Cb 0.25 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1p9y h VAL 62 CO -0.00 0.58 0.33 -0.09 0.02 0.00 0.00 177.57 178.41 1p9y h ARG 63 N 0.51 1.18 -0.79 1.57 2.43 -0.57 0.79 114.38 119.50 1p9y h ARG 63 Ca -0.00 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1p9y h ARG 63 Cb 1.19 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 1p9y h ARG 63 CO 0.12 0.94 0.34 1.96 -1.51 0.00 0.00 179.97 181.83 1p9y h GLN 64 N 1.15 1.17 -0.35 0.20 4.20 -1.13 -2.24 115.11 118.10 1p9y h GLN 64 Ca 0.27 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1p9y h GLN 64 Cb 0.19 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1p9y h GLN 64 CO -0.02 0.93 0.11 0.22 -0.67 0.00 0.00 178.83 179.40 1p9y h ASP 65 N 1.14 0.51 -0.51 1.46 3.58 -0.60 -2.63 116.42 119.36 1p9y h ASP 65 Ca 0.27 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1p9y h ASP 65 Cb 0.18 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1p9y h ASP 65 CO -0.03 0.58 0.18 0.58 -2.88 0.00 0.00 179.24 177.67 1p9y h VAL 66 N 0.42 1.22 -0.65 2.25 2.07 -0.68 -1.71 116.25 119.17 1p9y h VAL 66 Ca 0.11 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1p9y h VAL 66 Cb 0.24 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1p9y h VAL 66 CO -0.00 0.27 0.15 -0.07 0.02 0.00 0.00 177.57 177.93 1p9y h LEU 67 N 0.69 0.98 -0.29 2.57 3.38 -1.39 0.10 115.31 121.36 1p9y h LEU 67 Ca 0.17 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1p9y h LEU 67 Cb 0.24 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1p9y h LEU 67 CO -0.01 0.95 -0.26 1.23 0.09 0.00 0.00 178.44 180.44 1p9y h GLY 68 N 1.05 0.74 0.97 0.83 0.00 -1.38 -0.98 103.07 104.31 1p9y h GLY 68 Ca 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1p9y h GLY 68 CO 0.00 0.67 0.08 -1.80 0.00 0.00 0.00 176.54 175.50 1p9y h ASP 69 N 0.42 0.14 -0.33 0.19 3.58 -1.08 -2.63 116.42 116.71 1p9y h ASP 69 Ca 0.05 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1p9y h ASP 69 Cb 0.82 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1p9y h ASP 69 CO 0.07 0.10 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.39 1p9y h LEU 70 N 0.18 0.71 -0.41 2.28 3.38 -0.97 -0.08 115.31 120.41 1p9y h LEU 70 Ca 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1p9y h LEU 70 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1p9y h LEU 70 CO -0.02 0.83 0.27 0.24 0.09 0.00 0.00 178.44 179.84 1p9y h MET 71 N 0.67 0.53 0.21 1.13 2.86 -0.89 0.14 114.93 119.59 1p9y h MET 71 Ca 0.12 -0.03 -0.33 0.00 -2.06 0.00 0.00 59.70 57.40 1p9y h MET 71 Cb 0.52 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 32.08 1p9y h MET 71 CO 0.03 0.35 -1.49 0.66 1.06 0.00 0.00 176.91 177.52 1p9y h SER 72 N 0.55 0.69 -0.71 1.22 4.64 -1.43 -2.73 113.55 115.79 1p9y h SER 72 Ca 0.15 -0.80 0.03 0.00 -0.47 0.00 0.00 61.79 60.71 1p9y h SER 72 Cb -0.06 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.76 1p9y h SER 72 CO -0.03 1.64 0.44 -0.09 -0.87 0.00 0.00 176.83 177.92 1p9y h ARG 73 N 0.12 0.83 -0.02 4.77 2.43 -0.95 -0.52 114.38 121.04 1p9y h ARG 73 Ca -0.25 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.69 1p9y h ARG 73 Cb 2.11 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 1p9y h ARG 73 CO 0.24 0.55 -0.78 -0.91 -1.51 0.00 0.00 179.97 177.56 1p9y h ASN 74 N 0.86 0.24 -0.31 -3.80 4.21 -1.07 -2.52 115.58 113.19 1p9y h ASN 74 Ca 0.29 -0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.59 1p9y h ASN 74 Cb 0.04 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 1p9y h ASN 74 CO -0.12 0.92 0.04 0.15 -1.29 0.00 0.00 177.43 177.13 1p9y h PHE 75 N 0.12 0.55 -0.67 1.19 3.04 -1.09 -0.01 116.94 120.07 1p9y h PHE 75 Ca -0.03 -0.08 -0.05 0.00 3.98 0.00 0.00 57.97 61.79 1p9y h PHE 75 Cb 1.36 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.69 1p9y h PHE 75 CO 0.02 0.62 0.23 0.82 -2.02 0.00 0.00 178.31 177.98 1p9y h ILE 76 N 0.33 1.25 -0.61 1.41 2.04 -1.12 -1.09 117.51 119.73 1p9y h ILE 76 Ca 0.09 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1p9y h ILE 76 Cb 0.37 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1p9y h ILE 76 CO 0.01 0.32 0.10 0.44 0.00 0.00 0.00 178.15 179.02 1p9y h ASP 77 N 0.97 0.93 0.20 1.72 3.32 -1.31 -2.39 116.42 119.87 1p9y h ASP 77 Ca 0.22 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1p9y h ASP 77 Cb 0.26 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1p9y h ASP 77 CO -0.01 0.94 -0.10 0.00 -1.72 0.00 0.00 179.24 178.35 1p9y h ALA 78 N 1.17 -0.27 0.00 3.45 0.00 -0.45 -0.09 119.26 123.08 1p9y h ALA 78 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1p9y h ALA 78 Cb 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1p9y h ALA 78 CO 0.01 -0.61 -0.20 -0.84 0.00 0.00 0.00 179.25 177.61 1p9y h ILE 79 N -0.34 0.69 0.03 0.00 3.07 -1.17 0.25 117.51 120.04 1p9y h ILE 79 Ca -0.03 -0.85 -0.00 0.00 1.55 0.00 0.00 64.86 65.53 1p9y h ILE 79 Cb 0.26 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 1p9y h ILE 79 CO 0.04 0.20 -0.01 0.40 -1.05 0.00 0.00 178.15 177.73 1p9y h ILE 80 N 0.00 1.32 -0.08 0.16 2.04 -1.20 0.11 117.51 119.86 1p9y h ILE 80 Ca -0.00 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.74 1p9y h ILE 80 Cb 0.52 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1p9y h ILE 80 CO 0.03 0.29 -0.11 0.50 0.00 0.00 0.00 178.15 178.86 1p9y h LYS 81 N -0.55 -0.14 0.00 2.37 1.63 -0.53 -1.67 116.57 117.68 1p9y h LYS 81 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1p9y h LYS 81 Cb 0.51 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1p9y h LYS 81 CO 0.01 -0.09 0.00 0.39 -3.45 0.00 0.00 179.45 176.30 1p9y n GLU 82 N -5.24 0.86 -3.87 1.90 -0.58 0.85 -4.91 120.64 109.64 1p9y n GLU 82 Ca -0.04 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.46 1p9y n GLU 82 Cb 0.16 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1p9y n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1p9y n LYS 83 N -1.03 -3.84 -4.79 3.49 5.02 -0.32 -4.98 118.16 111.71 1p9y n LYS 83 Ca 0.21 0.48 -0.33 0.00 -2.02 0.00 0.00 58.31 56.65 1p9y n LYS 83 Cb 0.12 -4.75 -0.14 0.00 -0.02 0.00 0.00 35.03 30.23 1p9y n LYS 83 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p9y s ILE 84 N -3.86 3.08 -0.26 -0.18 1.01 0.24 -5.03 121.20 116.20 1p9y s ILE 84 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1p9y s ILE 84 Cb -0.01 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1p9y s ILE 84 CO 0.86 0.54 -0.06 0.20 0.00 0.00 0.00 174.94 176.48 1p9y s ASN 85 N 0.13 4.38 0.52 3.58 0.01 -1.26 -4.61 114.94 117.69 1p9y s ASN 85 Ca -0.06 -0.99 -0.20 0.00 -0.71 0.00 0.00 52.86 50.89 1p9y s ASN 85 Cb -0.15 -1.65 -0.07 0.00 0.41 0.00 0.00 41.25 39.79 1p9y s ASN 85 CO 0.05 -0.15 1.12 -2.84 -1.51 0.00 0.00 177.10 173.77 1p9y s PRO 86 N 1.29 3.49 -0.24 -0.60 0.02 -1.26 -4.16 135.00 133.54 1p9y s PRO 86 Ca -0.02 1.61 -0.14 0.00 0.02 0.00 0.00 61.00 62.47 1p9y s PRO 86 Cb -0.17 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 1p9y s PRO 86 CO -0.04 -0.73 0.31 0.00 -0.33 0.00 0.00 177.00 176.20 1p9y s ALA 87 N -1.76 3.57 0.00 -1.55 0.00 0.83 -4.93 121.76 117.93 1p9y s ALA 87 Ca 0.70 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1p9y s ALA 87 Cb -0.24 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1p9y s ALA 87 CO 0.27 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1p9y n GLY 88 N 4.41 0.42 3.62 0.00 0.00 -1.26 -4.53 105.19 107.85 1p9y n GLY 88 Ca -0.11 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1p9y n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9y s ALA 89 N -1.66 3.59 0.75 4.61 0.00 -1.26 -5.06 121.76 122.73 1p9y s ALA 89 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 1p9y s ALA 89 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.14 1p9y s ALA 89 CO 0.00 -0.86 1.12 -2.14 0.00 0.00 0.00 175.76 173.87 1p9y s PRO 90 N 2.50 2.24 -0.23 0.00 0.02 -1.26 -4.99 135.00 133.28 1p9y s PRO 90 Ca 0.25 1.35 -0.08 0.00 0.02 0.00 0.00 61.00 62.54 1p9y s PRO 90 Cb -0.15 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1p9y s PRO 90 CO 0.09 -1.68 0.08 0.99 -0.33 0.00 0.00 177.00 176.16 1p9y s THR 91 N -2.61 4.56 -0.02 0.99 2.01 0.20 -4.93 115.64 115.85 1p9y s THR 91 Ca 0.65 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.36 1p9y s THR 91 Cb -0.20 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1p9y s THR 91 CO 0.51 0.36 0.57 -0.31 -0.69 0.00 0.00 174.62 175.07 1p9y s TYR 92 N 1.25 3.66 -0.42 4.92 1.51 -1.26 -0.74 117.35 126.26 1p9y s TYR 92 Ca 0.05 1.15 0.02 0.00 -1.01 0.00 0.00 57.07 57.28 1p9y s TYR 92 Cb -0.14 -2.59 0.12 0.00 -0.11 0.00 0.00 41.96 39.23 1p9y s TYR 92 CO 0.04 0.33 0.19 0.08 -1.11 0.00 0.00 175.55 175.08 1p9y s VAL 93 N -0.07 1.70 0.50 0.71 1.01 0.14 -4.99 120.40 119.40 1p9y s VAL 93 Ca 0.30 -2.50 -0.22 0.00 0.00 0.00 0.00 61.98 59.56 1p9y s VAL 93 Cb -0.18 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1p9y s VAL 93 CO 0.16 -0.79 1.19 -2.16 0.00 0.00 0.00 175.10 173.50 1p9y s PRO 94 N 0.50 3.54 0.00 2.72 0.04 -1.26 -1.57 135.00 138.97 1p9y s PRO 94 Ca 0.15 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1p9y s PRO 94 Cb -0.23 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1p9y s PRO 94 CO -0.05 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1p9y n GLY 95 N 0.45 0.57 3.67 0.56 0.00 -0.88 -4.91 105.19 104.66 1p9y n GLY 95 Ca 0.09 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1p9y n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p9y s GLU 96 N -1.33 4.31 -0.10 1.61 2.12 -1.26 -4.99 118.70 119.06 1p9y s GLU 96 Ca 0.00 1.11 -0.20 0.00 0.36 0.00 0.00 54.97 56.25 1p9y s GLU 96 Cb 0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1p9y s GLU 96 CO 0.00 -0.37 0.54 -0.47 -0.54 0.00 0.00 175.26 174.42 1p9y s TYR 97 N 2.30 3.54 -0.11 5.30 5.04 -1.26 -4.76 117.35 127.39 1p9y s TYR 97 Ca 0.40 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 56.04 1p9y s TYR 97 Cb -0.17 -2.62 0.02 0.00 0.35 0.00 0.00 41.96 39.54 1p9y s TYR 97 CO 0.12 0.16 -0.11 0.15 -1.34 0.00 0.00 175.55 174.53 1p9y s LYS 98 N 0.62 1.81 0.09 4.97 1.02 -1.26 -5.10 119.74 121.90 1p9y s LYS 98 Ca 0.29 -0.39 -0.36 0.00 0.02 0.00 0.00 55.97 55.53 1p9y s LYS 98 Cb -0.16 -1.68 -0.17 0.00 -0.52 0.00 0.00 37.83 35.29 1p9y s LYS 98 CO 0.13 -0.16 1.19 -0.11 -0.92 0.00 0.00 175.35 175.48 1p9y n LEU 99 N 4.54 1.08 -3.39 3.17 7.94 -1.26 -2.48 117.00 126.60 1p9y n LEU 99 Ca -0.17 1.14 -0.19 0.00 -1.11 0.00 0.00 56.01 55.68 1p9y n LEU 99 Cb 0.51 -1.12 0.07 0.00 0.53 0.00 0.00 43.42 43.40 1p9y n LEU 99 CO 0.21 -1.41 0.02 0.61 -1.11 0.00 0.00 177.39 175.71 1p9y n GLY 100 N 2.12 -0.90 3.54 -3.96 0.00 -1.26 -5.02 105.19 99.72 1p9y n GLY 100 Ca 0.18 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 1p9y n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p9y s GLU 101 N -4.98 0.85 0.47 1.61 2.12 -1.03 -5.04 118.70 112.70 1p9y s GLU 101 Ca 0.33 0.11 -0.25 0.00 0.36 0.00 0.00 54.97 55.52 1p9y s GLU 101 Cb -0.06 0.40 -0.08 0.00 0.26 0.00 0.00 34.13 34.65 1p9y s GLU 101 CO 0.76 -0.28 1.39 -0.51 -0.54 0.00 0.00 175.26 176.09 1p9y s ASP 102 N -1.37 5.79 -0.19 -1.70 1.01 -1.26 -4.23 116.67 114.72 1p9y s ASP 102 Ca -0.05 2.85 -0.03 0.00 0.71 0.00 0.00 52.55 56.03 1p9y s ASP 102 Cb -0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1p9y s ASP 102 CO 0.03 -1.22 -0.07 0.12 0.21 0.00 0.00 175.17 174.24 1p9y s PHE 103 N -1.24 2.93 -0.07 4.23 5.36 0.23 -4.80 117.98 124.62 1p9y s PHE 103 Ca 0.63 -0.83 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1p9y s PHE 103 Cb -0.42 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1p9y s PHE 103 CO 0.53 -0.43 -0.10 0.99 -1.46 0.00 0.00 175.22 174.75 1p9y s THR 104 N 1.12 3.40 0.15 0.12 2.01 -1.26 -0.07 115.64 121.10 1p9y s THR 104 Ca 0.01 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1p9y s THR 104 Cb -0.15 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1p9y s THR 104 CO -0.01 0.59 0.29 -0.72 -0.69 0.00 0.00 174.62 174.08 1p9y s TYR 105 N -0.66 0.24 0.13 4.92 1.13 -0.57 -2.07 117.35 120.47 1p9y s TYR 105 Ca 0.10 -0.62 0.07 0.00 -1.41 0.00 0.00 57.07 55.22 1p9y s TYR 105 Cb -0.11 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 1p9y s TYR 105 CO 0.01 -0.70 -0.17 -1.12 -2.51 0.00 0.00 175.55 171.07 1p9y s SER 106 N -2.92 2.29 -0.08 -0.18 0.01 -0.61 -0.64 113.70 111.58 1p9y s SER 106 Ca 0.12 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1p9y s SER 106 Cb 0.03 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1p9y s SER 106 CO -0.04 -0.07 -0.05 -0.69 0.41 0.00 0.00 173.24 172.80 1p9y s VAL 107 N -1.90 0.74 0.04 3.43 1.01 0.08 0.29 120.40 124.09 1p9y s VAL 107 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1p9y s VAL 107 Cb -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1p9y s VAL 107 CO 0.04 0.30 -0.04 -1.61 0.00 0.00 0.00 175.10 173.80 1p9y s GLU 108 N 1.39 2.55 -0.02 2.72 2.02 0.08 -0.41 118.70 127.03 1p9y s GLU 108 Ca -0.03 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1p9y s GLU 108 Cb -0.13 -2.53 0.11 0.00 0.10 0.00 0.00 34.13 31.68 1p9y s GLU 108 CO -0.03 0.58 1.20 -0.59 0.02 0.00 0.00 175.26 176.44 1p9y s PHE 109 N -1.14 -0.09 0.06 1.61 -0.12 -0.84 -0.63 117.98 116.84 1p9y s PHE 109 Ca 0.21 -0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1p9y s PHE 109 Cb -0.11 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1p9y s PHE 109 CO 0.12 -0.37 0.12 -1.21 -0.05 0.00 0.00 175.22 173.83 1p9y s GLU 110 N -2.60 3.08 0.45 1.99 0.41 -1.26 -0.12 118.70 120.65 1p9y s GLU 110 Ca 0.13 -0.58 0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1p9y s GLU 110 Cb 0.02 -2.85 0.08 0.00 -1.78 0.00 0.00 34.13 29.61 1p9y s GLU 110 CO -0.03 0.60 0.62 1.33 -0.49 0.00 0.00 175.26 177.28 1p9y n VAL 111 N 0.56 0.00 -3.90 2.63 0.24 0.22 -0.12 118.33 117.96 1p9y n VAL 111 Ca -0.08 -1.13 -0.09 0.00 -2.04 0.00 0.00 64.34 60.99 1p9y n VAL 111 Cb 0.52 -0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 31.91 1p9y n VAL 111 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1p9y s TYR 112 N -1.77 0.23 0.14 6.34 1.13 -1.26 -4.70 117.35 117.46 1p9y s TYR 112 Ca 0.43 -0.59 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 1p9y s TYR 112 Cb -0.03 0.13 -0.07 0.00 -1.10 0.00 0.00 41.96 40.89 1p9y s TYR 112 CO 0.28 -0.83 1.23 -2.14 -2.51 0.00 0.00 175.55 171.58 1p9y s PRO 113 N -3.95 4.44 0.53 -3.49 0.02 -1.26 -5.05 135.00 126.25 1p9y s PRO 113 Ca 0.16 1.88 -0.07 0.00 0.02 0.00 0.00 61.00 62.99 1p9y s PRO 113 Cb 0.01 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1p9y s PRO 113 CO 0.01 -0.20 0.86 -1.21 -0.33 0.00 0.00 177.00 176.13 1p9y s GLU 114 N 0.38 3.50 -0.01 5.54 0.41 -1.26 -4.98 118.70 122.29 1p9y s GLU 114 Ca 0.57 0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 55.16 1p9y s GLU 114 Cb -0.32 -2.29 -0.07 0.00 -1.78 0.00 0.00 34.13 29.67 1p9y s GLU 114 CO 0.33 -0.35 1.69 0.08 -0.49 0.00 0.00 175.26 176.53 1p9y s VAL 115 N -2.88 3.37 -0.04 2.63 1.01 -1.26 -4.99 120.40 118.24 1p9y s VAL 115 Ca 0.50 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.11 1p9y s VAL 115 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1p9y s VAL 115 CO 0.47 -0.04 -0.24 -1.61 0.00 0.00 0.00 175.10 173.69 1p9y s GLU 116 N 3.69 2.32 0.00 2.72 2.02 -1.26 -5.35 118.70 122.84 1p9y s GLU 116 Ca 0.75 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1p9y s GLU 116 Cb -0.36 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1p9y s GLU 116 CO 0.32 0.50 0.00 1.28 0.02 0.00 0.00 175.26 177.38