#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy s VAL 2 N 0.00 1.55 -1.28 3.17 0.11 -1.26 -5.05 120.40 117.65 2jwy s VAL 2 Ca 0.00 -1.55 -0.19 0.00 -2.93 0.00 0.00 61.98 57.31 2jwy s VAL 2 Cb 0.00 -1.99 0.03 0.00 -1.53 0.00 0.00 36.38 32.89 2jwy s VAL 2 CO 0.00 -0.38 1.84 1.67 -3.33 0.00 0.00 175.10 174.90 2jwy n GLN 3 N 4.61 2.77 -2.90 1.54 7.27 -1.26 -4.96 117.38 124.44 2jwy n GLN 3 Ca -0.05 -2.98 -0.40 0.00 0.07 0.00 0.00 57.00 53.63 2jwy n GLN 3 Cb 0.43 -3.50 -0.05 0.00 2.41 0.00 0.00 30.24 29.53 2jwy n GLN 3 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2jwy s GLN 4 N 4.60 4.56 -0.27 3.69 -2.07 -1.26 -5.05 119.66 123.86 2jwy s GLN 4 Ca 0.56 1.19 -0.23 0.00 -1.82 0.00 0.00 55.36 55.06 2jwy s GLN 4 Cb 0.05 -3.36 0.07 0.00 -1.09 0.00 0.00 33.01 28.67 2jwy s GLN 4 CO 0.07 0.28 0.70 -1.54 -1.32 0.00 0.00 175.29 173.48 2jwy s SER 5 N -0.10 -0.77 0.09 12.60 1.04 -1.26 -5.18 113.70 120.12 2jwy s SER 5 Ca 0.41 1.43 0.02 0.00 0.48 0.00 0.00 55.95 58.29 2jwy s SER 5 Cb -0.22 1.43 -0.04 0.00 0.10 0.00 0.00 66.02 67.29 2jwy s SER 5 CO 0.25 -0.24 0.19 -0.70 0.98 0.00 0.00 173.24 173.71 2jwy s GLU 6 N 0.58 3.26 0.01 4.02 2.56 -1.26 -5.12 118.70 122.76 2jwy s GLU 6 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 54.97 54.45 2jwy s GLU 6 Cb -0.05 -2.92 -0.02 0.00 2.00 0.00 0.00 34.13 33.14 2jwy s GLU 6 CO -0.03 0.58 -0.16 0.14 -0.56 0.00 0.00 175.26 175.23 2jwy s VAL 7 N -1.54 1.28 -0.61 3.70 -7.23 -1.26 -5.11 120.40 109.64 2jwy s VAL 7 Ca 0.33 -0.83 -0.22 0.00 -1.81 0.00 0.00 61.98 59.45 2jwy s VAL 7 Cb -0.12 -1.10 0.06 0.00 0.56 0.00 0.00 36.38 35.79 2jwy s VAL 7 CO 0.26 0.25 0.89 -0.13 -0.31 0.00 0.00 175.10 176.06 2jwy s ARG 8 N -0.68 3.16 -0.13 4.82 3.00 -1.26 -5.03 118.95 122.83 2jwy s ARG 8 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 55.73 55.01 2jwy s ARG 8 Cb -0.07 -4.17 -0.03 0.00 0.00 0.00 0.00 34.95 30.68 2jwy s ARG 8 CO 0.00 -1.64 -0.05 1.14 0.00 0.00 0.00 175.30 174.75 2jwy s GLN 9 N 3.74 3.39 -0.35 3.54 -2.07 -1.26 -5.10 119.66 121.55 2jwy s GLN 9 Ca 0.22 -0.54 -0.02 0.00 -1.82 0.00 0.00 55.36 53.21 2jwy s GLN 9 Cb -0.17 -2.80 0.08 0.00 -1.09 0.00 0.00 33.01 29.03 2jwy s GLN 9 CO 0.12 0.37 0.09 1.41 -1.32 0.00 0.00 175.29 175.96 2jwy s MET 10 N 0.01 2.19 0.09 9.60 1.75 -1.26 -5.10 119.30 126.58 2jwy s MET 10 Ca -0.00 -1.54 -0.01 0.00 -1.25 0.00 0.00 55.69 52.89 2jwy s MET 10 Cb -0.13 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 2jwy s MET 10 CO 0.03 -0.83 0.27 0.15 -0.65 0.00 0.00 175.02 173.98 2jwy s LYS 11 N 1.19 3.49 -0.30 4.11 1.02 -1.26 -5.10 119.74 122.89 2jwy s LYS 11 Ca 0.02 -0.35 -0.13 0.00 0.02 0.00 0.00 55.97 55.53 2jwy s LYS 11 Cb -0.21 -2.97 0.17 0.00 -0.52 0.00 0.00 37.83 34.29 2jwy s LYS 11 CO -0.03 0.56 0.94 -3.38 -0.92 0.00 0.00 175.35 172.52 2jwy s HIS 12 N -1.58 -0.78 0.31 3.18 -3.43 -1.26 -5.18 115.29 106.54 2jwy s HIS 12 Ca 0.37 1.23 -0.18 0.00 -0.80 0.00 0.00 55.06 55.68 2jwy s HIS 12 Cb -0.13 0.42 0.02 0.00 -1.43 0.00 0.00 32.58 31.47 2jwy s HIS 12 CO 0.27 -0.40 0.69 0.45 -2.00 0.00 0.00 174.74 173.76 2jwy s SER 13 N 2.60 -0.11 -1.15 7.38 0.15 -1.26 -5.06 113.70 116.24 2jwy s SER 13 Ca -0.01 -0.83 -0.20 0.00 0.70 0.00 0.00 55.95 55.61 2jwy s SER 13 Cb -0.08 0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 64.92 2jwy s SER 13 CO -0.17 -1.41 1.93 0.55 1.20 0.00 0.00 173.24 175.34 2jwy n VAL 14 N -0.47 2.64 -3.04 4.45 3.14 -1.26 -4.91 118.33 118.88 2jwy n VAL 14 Ca -0.05 -2.58 -0.43 0.00 -2.96 0.00 0.00 64.34 58.32 2jwy n VAL 14 Cb 0.60 -2.32 -0.06 0.00 -1.06 0.00 0.00 33.84 31.00 2jwy n VAL 14 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2jwy s SER 15 N 5.01 6.30 -0.72 6.55 1.04 -1.26 -5.02 113.70 125.60 2jwy s SER 15 Ca 0.59 -0.53 -0.26 0.00 0.48 0.00 0.00 55.95 56.22 2jwy s SER 15 Cb 0.07 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.88 2jwy s SER 15 CO 0.08 -0.95 1.23 0.42 0.98 0.00 0.00 173.24 175.00 2jwy s THR 16 N 3.08 3.82 0.29 2.02 -4.23 -1.26 -5.02 115.64 114.35 2jwy s THR 16 Ca 0.23 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 2jwy s THR 16 Cb -0.15 -4.88 -0.04 0.00 1.34 0.00 0.00 72.50 68.77 2jwy s THR 16 CO 0.17 -1.78 0.48 -1.48 -0.54 0.00 0.00 174.62 171.47 2jwy s LEU 17 N 5.46 4.12 0.00 4.79 -0.00 -1.26 -5.13 118.68 126.66 2jwy s LEU 17 Ca 0.33 0.39 0.00 0.00 -0.00 0.00 0.00 54.13 54.86 2jwy s LEU 17 Cb -0.09 -3.22 0.00 0.00 -0.00 0.00 0.00 46.19 42.88 2jwy s LEU 17 CO 0.15 -0.19 0.00 0.59 -0.00 0.00 0.00 176.35 176.90 2jwy n ASN 18 N -1.39 0.47 -4.60 1.48 3.02 -1.26 -5.05 115.26 107.94 2jwy n ASN 18 Ca -0.05 -0.45 -0.48 0.00 -0.03 0.00 0.00 54.58 53.57 2jwy n ASN 18 Cb 0.56 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 2jwy n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jwy n GLN 19 N -0.34 1.39 -4.14 3.52 6.02 -1.26 -5.01 117.38 117.56 2jwy n GLN 19 Ca 0.00 0.49 -0.16 0.00 -0.01 0.00 0.00 57.00 57.33 2jwy n GLN 19 Cb 0.00 -2.02 -0.14 0.00 1.02 0.00 0.00 30.24 29.09 2jwy n GLN 19 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2jwy s GLU 20 N -0.44 0.40 -0.37 -1.09 2.56 -1.26 -5.10 118.70 113.41 2jwy s GLU 20 Ca 0.71 -0.17 -0.28 0.00 0.00 0.00 0.00 54.97 55.24 2jwy s GLU 20 Cb -0.80 -0.39 -0.04 0.00 2.00 0.00 0.00 34.13 34.90 2jwy s GLU 20 CO 0.52 0.10 2.03 0.00 -0.56 0.00 0.00 175.26 177.35 2jwy s MET 21 N -0.07 2.95 0.33 4.30 0.23 -1.26 -4.95 119.30 120.83 2jwy s MET 21 Ca 0.01 1.47 0.07 0.00 -1.03 0.00 0.00 55.69 56.21 2jwy s MET 21 Cb -0.02 -4.34 -0.02 0.00 -1.53 0.00 0.00 34.83 28.91 2jwy s MET 21 CO -0.00 -2.31 0.36 0.95 -2.03 0.00 0.00 175.02 171.99 2jwy s THR 22 N 8.56 3.78 -0.05 3.16 -4.23 -1.26 -4.96 115.64 120.64 2jwy s THR 22 Ca 0.87 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2jwy s THR 22 Cb -0.23 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.34 2jwy s THR 22 CO 0.31 -0.17 0.08 0.00 -0.54 0.00 0.00 174.62 174.29 2jwy n GLN 23 N -1.47 -3.41 -3.76 3.99 3.00 -1.26 -5.10 117.38 109.37 2jwy n GLN 23 Ca -0.01 2.67 -0.13 0.00 -0.01 0.00 0.00 57.00 59.52 2jwy n GLN 23 Cb 0.59 -3.59 -0.12 0.00 0.00 0.00 0.00 30.24 27.12 2jwy n GLN 23 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jwy s LEU 24 N -0.43 0.72 0.14 1.08 2.96 -1.26 -5.13 118.68 116.75 2jwy s LEU 24 Ca -0.09 0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 54.10 2jwy s LEU 24 Cb 0.01 0.97 -0.11 0.00 0.50 0.00 0.00 46.19 47.55 2jwy s LEU 24 CO 0.25 -0.12 1.82 0.59 -1.32 0.00 0.00 176.35 177.56 2jwy n ASN 25 N 3.30 4.01 -0.29 3.68 3.02 -1.26 -4.84 115.26 122.88 2jwy n ASN 25 Ca -0.16 1.00 0.13 0.00 -0.03 0.00 0.00 54.58 55.52 2jwy n ASN 25 Cb 0.57 -1.55 0.38 0.00 -0.61 0.00 0.00 39.78 38.57 2jwy n ASN 25 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2jwy h GLN 26 N 8.21 0.67 0.40 3.52 5.75 -2.00 0.11 115.11 131.76 2jwy h GLN 26 Ca -0.46 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 2jwy h GLN 26 Cb 1.22 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 2jwy h GLN 26 CO 0.95 0.44 -0.24 1.49 -2.65 0.00 0.00 178.83 178.82 2jwy h GLU 27 N 0.69 -0.58 -0.58 1.69 4.81 -1.91 0.17 114.58 118.87 2jwy h GLU 27 Ca 0.48 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.78 2jwy h GLU 27 Cb 0.81 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 2jwy h GLU 27 CO -0.24 -0.39 0.39 1.15 -0.73 0.00 0.00 179.01 179.19 2jwy h THR 28 N -0.60 1.09 -0.52 0.32 2.02 -1.60 0.18 112.91 113.80 2jwy h THR 28 Ca -0.04 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 2jwy h THR 28 Cb 0.49 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2jwy h THR 28 CO 0.05 0.13 0.13 0.58 0.37 0.00 0.00 175.52 176.78 2jwy h VAL 29 N 0.71 1.24 -0.48 3.16 2.07 -0.71 -1.50 116.25 120.74 2jwy h VAL 29 Ca 0.23 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 2jwy h VAL 29 Cb 0.04 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2jwy h VAL 29 CO -0.06 0.31 -0.10 0.50 0.02 0.00 0.00 177.57 178.24 2jwy h LYS 30 N 0.72 0.87 -0.32 1.57 1.63 0.73 -0.36 116.57 121.41 2jwy h LYS 30 Ca 0.16 -0.30 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2jwy h LYS 30 Cb 0.33 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2jwy h LYS 30 CO 0.00 0.93 0.21 0.82 -3.45 0.00 0.00 179.45 177.96 2jwy h ILE 31 N 0.79 1.07 -0.55 2.00 2.04 -0.62 0.77 117.51 123.01 2jwy h ILE 31 Ca 0.13 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2jwy h ILE 31 Cb 0.61 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2jwy h ILE 31 CO 0.04 0.08 0.33 0.74 0.00 0.00 0.00 178.15 179.34 2jwy h THR 32 N 0.42 1.07 -0.50 -0.27 2.02 -0.92 -0.64 112.91 114.09 2jwy h THR 32 Ca 0.12 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.09 2jwy h THR 32 Cb -0.03 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2jwy h THR 32 CO -0.04 0.12 0.31 -0.61 0.37 0.00 0.00 175.52 175.68 2jwy h GLN 33 N 0.67 0.61 0.24 6.66 4.15 -0.79 -1.04 115.11 125.61 2jwy h GLN 33 Ca 0.22 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2jwy h GLN 33 Cb 0.01 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2jwy h GLN 33 CO -0.09 0.40 -0.22 0.37 -1.93 0.00 0.00 178.83 177.36 2jwy h GLN 34 N 0.63 -0.47 -0.05 1.69 -0.00 -0.32 -0.85 115.11 115.74 2jwy h GLN 34 Ca 0.20 0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.81 2jwy h GLN 34 Cb -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 2jwy h GLN 34 CO -0.07 -0.31 -0.29 -0.91 0.00 0.00 0.00 178.83 177.24 2jwy h ASN 35 N -0.49 0.09 -0.02 -0.69 2.35 -1.05 0.23 115.58 116.00 2jwy h ASN 35 Ca -0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2jwy h ASN 35 Cb 0.45 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 2jwy h ASN 35 CO -0.04 0.38 0.00 0.03 -1.65 0.00 0.00 177.43 176.15 2jwy h ARG 36 N 0.08 0.04 -0.76 0.81 3.08 -0.91 -2.07 114.38 114.65 2jwy h ARG 36 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2jwy h ARG 36 Cb 0.56 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 2jwy h ARG 36 CO 0.04 0.30 0.40 -0.07 -1.07 0.00 0.00 179.97 179.57 2jwy h LEU 37 N -0.23 0.95 -0.81 3.04 3.38 -0.88 -2.32 115.31 118.44 2jwy h LEU 37 Ca 0.01 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2jwy h LEU 37 Cb 0.28 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2jwy h LEU 37 CO 0.00 0.77 0.48 -1.13 0.09 0.00 0.00 178.44 178.66 2jwy h ASN 38 N 1.06 0.74 -0.22 -0.43 -0.73 -0.40 0.79 115.58 116.39 2jwy h ASN 38 Ca 0.27 0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.34 2jwy h ASN 38 Cb 0.05 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.51 2jwy h ASN 38 CO -0.04 0.46 -0.33 0.00 -0.37 0.00 0.00 177.43 177.16 2jwy h ALA 39 N 1.40 0.33 0.00 1.57 0.00 -1.10 -3.10 119.26 118.36 2jwy h ALA 39 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jwy h ALA 39 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jwy h ALA 39 CO -0.19 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.06 2jwy n LYS 40 N -4.30 0.23 -1.79 0.00 5.02 -0.90 -4.84 118.16 111.58 2jwy n LYS 40 Ca -0.05 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2jwy n LYS 40 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2jwy n LYS 40 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jwy s SER 41 N -2.71 6.48 0.00 4.39 0.15 0.24 -4.89 113.70 117.35 2jwy s SER 41 Ca 0.19 2.69 0.25 0.00 0.70 0.00 0.00 55.95 59.78 2jwy s SER 41 Cb 0.16 -2.57 0.53 0.00 -1.71 0.00 0.00 66.02 62.42 2jwy s SER 41 CO 0.39 -0.95 1.43 -0.24 1.20 0.00 0.00 173.24 175.06 2jwy n SER 42 N 5.26 1.50 -3.47 5.45 2.88 -1.26 -4.74 113.62 119.25 2jwy n SER 42 Ca 0.17 -1.22 -0.25 0.00 -1.33 0.00 0.00 58.87 56.24 2jwy n SER 42 Cb 0.38 0.21 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 2jwy n SER 42 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jwy s SER 43 N -2.40 2.76 0.66 -3.46 0.15 -1.26 -5.12 113.70 105.02 2jwy s SER 43 Ca 0.24 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2jwy s SER 43 Cb 0.19 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2jwy s SER 43 CO 0.50 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2jwy n GLY 44 N 4.90 0.67 3.56 9.45 0.00 -1.26 -4.71 105.19 117.80 2jwy n GLY 44 Ca 0.01 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 2jwy n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwy s VAL 45 N 0.00 3.16 -0.34 1.61 -7.23 -0.47 -4.80 120.40 112.32 2jwy s VAL 45 Ca 0.00 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2jwy s VAL 45 Cb 0.00 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2jwy s VAL 45 CO 0.00 -0.03 0.23 -0.31 -0.31 0.00 0.00 175.10 174.67 2jwy s TYR 46 N -1.52 3.22 -0.45 2.82 2.02 -1.26 -1.04 117.35 121.13 2jwy s TYR 46 Ca 0.23 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 2jwy s TYR 46 Cb -0.09 -2.46 0.08 0.00 -0.40 0.00 0.00 41.96 39.09 2jwy s TYR 46 CO 0.14 -0.43 0.34 -0.51 -1.57 0.00 0.00 175.55 173.52 2jwy s LEU 47 N 1.68 5.47 -0.43 -1.29 1.43 0.26 -4.66 118.68 121.14 2jwy s LEU 47 Ca 0.05 -1.50 -0.27 0.00 -1.03 0.00 0.00 54.13 51.38 2jwy s LEU 47 Cb -0.18 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2jwy s LEU 47 CO 0.09 -0.62 1.03 -0.76 0.23 0.00 0.00 176.35 176.32 2jwy s LEU 48 N 1.52 3.85 0.62 1.79 1.02 -1.26 -0.45 118.68 125.76 2jwy s LEU 48 Ca 0.04 0.48 0.33 0.00 0.02 0.00 0.00 54.13 54.99 2jwy s LEU 48 Cb -0.24 -3.40 1.86 0.00 0.02 0.00 0.00 46.19 44.43 2jwy s LEU 48 CO 0.04 -1.07 2.16 1.55 0.02 0.00 0.00 176.35 179.05 2jwy h PRO 49 N 8.88 0.00 0.00 1.29 0.13 -1.87 0.30 132.00 140.73 2jwy h PRO 49 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2jwy h PRO 49 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jwy h PRO 49 CO 1.06 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.61 2jwy h GLY 50 N 0.00 0.00 -7.23 1.56 0.00 -1.91 -3.37 103.07 92.11 2jwy h GLY 50 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.78 2jwy h GLY 50 CO -0.00 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.79 2jwy s ALA 51 N -3.76 1.66 -0.88 3.60 0.00 0.09 -4.91 121.76 117.56 2jwy s ALA 51 Ca -0.02 -1.68 -0.25 0.00 0.00 0.00 0.00 51.96 50.01 2jwy s ALA 51 Cb 0.10 -1.62 -0.12 0.00 0.00 0.00 0.00 23.12 21.48 2jwy s ALA 51 CO 0.37 -1.62 2.22 0.21 0.00 0.00 0.00 175.76 176.95 2jwy s LYS 52 N 1.55 1.86 0.04 0.00 2.20 -1.26 -4.68 119.74 119.45 2jwy s LYS 52 Ca 0.09 0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 2jwy s LYS 52 Cb -0.17 -4.91 -0.02 0.00 -1.51 0.00 0.00 37.83 31.21 2jwy s LYS 52 CO -0.22 -4.26 -0.08 0.95 -0.36 0.00 0.00 175.35 171.39 2jwy s THR 53 N 13.56 0.53 0.01 3.43 -4.23 -1.26 -4.99 115.64 122.69 2jwy s THR 53 Ca 0.84 -0.98 -0.28 0.00 -1.18 0.00 0.00 61.69 60.09 2jwy s THR 53 Cb -0.10 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 2jwy s THR 53 CO 0.07 -0.32 0.88 -2.16 -0.54 0.00 0.00 174.62 172.55 2jwy s PRO 54 N -1.40 4.55 -0.07 3.99 0.04 -1.26 -4.30 135.00 136.55 2jwy s PRO 54 Ca -0.08 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.26 2jwy s PRO 54 Cb -0.09 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2jwy s PRO 54 CO 0.00 0.08 -0.25 0.00 0.04 0.00 0.00 177.00 176.87 2jwy s ALA 55 N 0.61 2.16 -0.47 8.56 0.00 -0.09 -4.95 121.76 127.59 2jwy s ALA 55 Ca 0.46 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 2jwy s ALA 55 Cb -0.21 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.24 2jwy s ALA 55 CO 0.25 0.39 0.94 0.50 0.00 0.00 0.00 175.76 177.84 2jwy s ARG 56 N -0.04 3.53 -0.22 0.00 3.52 -1.26 -1.17 118.95 123.32 2jwy s ARG 56 Ca -0.07 0.17 -0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2jwy s ARG 56 Cb -0.15 -3.93 -0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2jwy s ARG 56 CO 0.05 -1.24 0.06 -1.17 -0.81 0.00 0.00 175.30 172.18 2jwy s LEU 57 N 3.80 3.54 0.09 -0.88 2.96 0.12 -4.94 118.68 123.37 2jwy s LEU 57 Ca 0.37 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 2jwy s LEU 57 Cb -0.10 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 2jwy s LEU 57 CO 0.26 0.05 1.12 -0.70 -1.32 0.00 0.00 176.35 175.76 2jwy s GLU 58 N 1.12 4.52 0.41 1.98 2.56 -1.26 -1.29 118.70 126.73 2jwy s GLU 58 Ca 0.04 1.68 0.02 0.00 0.00 0.00 0.00 54.97 56.71 2jwy s GLU 58 Cb -0.14 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.63 2jwy s GLU 58 CO 0.03 -0.10 0.08 -1.13 -0.56 0.00 0.00 175.26 173.58 2jwy n SER 59 N 3.38 2.08 -0.36 -1.70 3.41 -1.25 -4.96 113.62 114.23 2jwy n SER 59 Ca 0.06 -3.00 0.14 0.00 -0.26 0.00 0.00 58.87 55.81 2jwy n SER 59 Cb 0.47 0.68 0.60 0.00 -0.26 0.00 0.00 64.21 65.70 2jwy n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jwy n GLN 60 N -0.97 1.49 -0.04 4.33 6.02 -1.17 -3.70 117.38 123.34 2jwy n GLN 60 Ca -0.11 -0.72 -0.03 0.00 -0.01 0.00 0.00 57.00 56.12 2jwy n GLN 60 Cb 0.57 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.30 2jwy n GLN 60 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2jwy n ILE 61 N -0.11 0.55 0.00 5.09 -5.35 -1.26 -4.86 119.36 113.41 2jwy n ILE 61 Ca 0.19 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2jwy n ILE 61 Cb 0.28 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 2jwy n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jwy n GLY 62 N 2.39 3.74 3.67 3.28 0.00 -1.24 -5.02 105.19 112.01 2jwy n GLY 62 Ca -0.13 -0.71 -0.47 0.00 0.00 0.00 0.00 46.02 44.71 2jwy n GLY 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jwy n THR 63 N -1.19 0.21 -4.29 2.61 -1.04 -1.26 -3.75 114.28 105.57 2jwy n THR 63 Ca 0.00 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 2jwy n THR 63 Cb 0.00 -1.66 -0.09 0.00 -1.82 0.00 0.00 70.33 66.76 2jwy n THR 63 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2jwy s LEU 64 N 2.04 1.57 -0.09 -4.42 0.05 -0.42 -0.68 118.68 116.73 2jwy s LEU 64 Ca 0.84 -1.56 0.01 0.00 0.05 0.00 0.00 54.13 53.47 2jwy s LEU 64 Cb -0.68 0.32 0.02 0.00 -2.05 0.00 0.00 46.19 43.80 2jwy s LEU 64 CO 0.43 -0.92 -0.12 -0.60 -0.55 0.00 0.00 176.35 174.59 2jwy s ARG 65 N -3.81 1.85 0.03 1.48 3.52 0.19 0.16 118.95 122.36 2jwy s ARG 65 Ca 0.38 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2jwy s ARG 65 Cb 0.05 -1.64 -0.03 0.00 -1.56 0.00 0.00 34.95 31.77 2jwy s ARG 65 CO 0.19 -0.08 -0.20 -1.64 -0.81 0.00 0.00 175.30 172.75 2jwy s MET 66 N 1.06 2.05 -0.03 5.12 -1.94 -0.31 0.21 119.30 125.45 2jwy s MET 66 Ca -0.06 -0.98 -0.05 0.00 -1.71 0.00 0.00 55.69 52.88 2jwy s MET 66 Cb -0.15 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.55 2jwy s MET 66 CO -0.01 0.54 0.12 -1.54 -0.01 0.00 0.00 175.02 174.12 2jwy s SER 67 N -1.27 -0.06 -0.50 3.03 1.04 -0.85 -0.91 113.70 114.17 2jwy s SER 67 Ca 0.13 0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.42 2jwy s SER 67 Cb -0.10 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.30 2jwy s SER 67 CO 0.04 -0.15 0.76 -0.76 0.98 0.00 0.00 173.24 174.11 2jwy s LEU 68 N -0.45 4.48 0.27 2.42 1.43 -1.26 -1.92 118.68 123.65 2jwy s LEU 68 Ca -0.05 -0.50 0.10 0.00 -1.03 0.00 0.00 54.13 52.64 2jwy s LEU 68 Cb -0.03 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 2jwy s LEU 68 CO 0.00 -1.00 -0.15 0.68 0.23 0.00 0.00 176.35 176.12 2jwy s VAL 69 N 3.23 2.12 -1.37 -1.59 -7.23 -0.55 -4.72 120.40 110.28 2jwy s VAL 69 Ca 0.24 -2.28 -0.09 0.00 -1.81 0.00 0.00 61.98 58.04 2jwy s VAL 69 Cb -0.15 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.50 2jwy s VAL 69 CO 0.17 -0.41 1.14 0.59 -0.31 0.00 0.00 175.10 176.28 2jwy n ASN 70 N -0.58 -5.68 -4.61 4.85 3.02 -1.26 0.25 115.26 111.25 2jwy n ASN 70 Ca -0.06 -0.58 -0.43 0.00 -0.03 0.00 0.00 54.58 53.48 2jwy n ASN 70 Cb 0.61 -4.88 -0.02 0.00 -0.61 0.00 0.00 39.78 34.87 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwy s ILE 71 N -3.33 3.83 0.07 2.41 1.01 -1.26 -4.12 121.20 119.82 2jwy s ILE 71 Ca 0.53 0.88 0.01 0.00 0.00 0.00 0.00 60.65 62.07 2jwy s ILE 71 Cb -0.24 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2jwy s ILE 71 CO 0.74 -0.59 -0.06 0.42 0.00 0.00 0.00 174.94 175.45 2jwy s THR 72 N 5.50 0.53 0.54 2.92 -4.23 -0.11 -5.00 115.64 115.79 2jwy s THR 72 Ca 0.65 -1.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 2jwy s THR 72 Cb -0.17 -1.26 -0.06 0.00 1.34 0.00 0.00 72.50 72.35 2jwy s THR 72 CO 0.31 -0.73 1.08 -2.16 -0.54 0.00 0.00 174.62 172.58 2jwy s PRO 73 N -3.05 3.47 0.19 3.99 0.04 -1.26 -0.10 135.00 138.28 2jwy s PRO 73 Ca 0.03 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.51 2jwy s PRO 73 Cb 0.00 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2jwy s PRO 73 CO -0.04 -0.71 0.00 0.34 0.04 0.00 0.00 177.00 176.63 2jwy s ASP 74 N -2.12 1.33 0.12 6.66 2.15 0.57 -4.55 116.67 120.84 2jwy s ASP 74 Ca 0.68 -1.19 -0.20 0.00 0.43 0.00 0.00 52.55 52.28 2jwy s ASP 74 Cb -0.19 0.10 -0.05 0.00 -0.30 0.00 0.00 42.92 42.48 2jwy s ASP 74 CO 0.27 -0.56 1.73 0.00 -0.17 0.00 0.00 175.17 176.45 2jwy h ALA 75 N 2.65 0.17 0.17 3.66 0.00 -1.98 -3.06 119.26 120.87 2jwy h ALA 75 Ca -0.37 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.28 2jwy h ALA 75 Cb 1.21 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2jwy h ALA 75 CO 0.63 -0.41 -1.32 -0.44 0.00 0.00 0.00 179.25 177.71 2jwy h ASP 76 N 0.10 0.55 0.00 0.00 3.32 -1.97 -3.49 116.42 114.92 2jwy h ASP 76 Ca 0.08 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2jwy h ASP 76 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2jwy h ASP 76 CO -0.11 1.46 0.00 0.61 -1.72 0.00 0.00 179.24 179.48 2jwy n GLY 77 N 1.59 -1.16 2.82 2.75 0.00 -1.14 -0.41 105.19 109.64 2jwy n GLY 77 Ca -0.11 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 2jwy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 78 N 0.74 -0.05 -0.28 2.61 2.01 0.43 -0.31 115.64 120.79 2jwy s THR 78 Ca 0.00 0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 2jwy s THR 78 Cb 0.00 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 2jwy s THR 78 CO 0.00 0.08 0.08 0.42 -0.69 0.00 0.00 174.62 174.51 2jwy s THR 79 N 1.01 4.17 0.02 -0.82 -4.23 0.86 0.00 115.64 116.66 2jwy s THR 79 Ca -0.08 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 2jwy s THR 79 Cb -0.11 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 2jwy s THR 79 CO -0.04 0.18 -0.05 -1.48 -0.54 0.00 0.00 174.62 172.69 2jwy s LEU 80 N 1.56 2.18 -0.35 4.79 0.05 -0.60 -0.94 118.68 125.37 2jwy s LEU 80 Ca 0.04 -0.40 -0.22 0.00 0.05 0.00 0.00 54.13 53.61 2jwy s LEU 80 Cb -0.16 -0.09 0.00 0.00 -2.05 0.00 0.00 46.19 43.89 2jwy s LEU 80 CO 0.03 -0.16 0.70 -0.89 -0.55 0.00 0.00 176.35 175.48 2jwy s THR 81 N -1.05 4.83 -0.37 5.48 2.01 0.14 -0.06 115.64 126.62 2jwy s THR 81 Ca -0.09 0.74 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 2jwy s THR 81 Cb -0.08 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2jwy s THR 81 CO -0.00 -0.35 0.66 -0.22 -0.69 0.00 0.00 174.62 174.02 2jwy s LEU 82 N 2.86 4.28 -0.34 4.42 1.98 0.05 -1.48 118.68 130.45 2jwy s LEU 82 Ca 0.27 0.07 -0.12 0.00 -2.89 0.00 0.00 54.13 51.47 2jwy s LEU 82 Cb -0.14 -2.81 -0.01 0.00 0.66 0.00 0.00 46.19 43.90 2jwy s LEU 82 CO 0.15 -0.65 0.21 -0.13 -1.89 0.00 0.00 176.35 174.04 2jwy s ARG 83 N 2.79 3.32 0.16 1.98 0.52 -0.81 -1.72 118.95 125.20 2jwy s ARG 83 Ca 0.25 -0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 2jwy s ARG 83 Cb -0.14 -3.72 -0.07 0.00 0.52 0.00 0.00 34.95 31.54 2jwy s ARG 83 CO 0.16 -0.49 0.48 0.42 0.02 0.00 0.00 175.30 175.90 2jwy s ILE 84 N 1.66 5.00 -0.15 1.52 1.09 0.92 -2.01 121.20 129.23 2jwy s ILE 84 Ca 0.05 0.45 -0.05 0.00 -1.10 0.00 0.00 60.65 60.01 2jwy s ILE 84 Cb -0.18 -3.65 0.07 0.00 -1.06 0.00 0.00 42.46 37.65 2jwy s ILE 84 CO 0.08 0.10 0.27 -1.58 -0.10 0.00 0.00 174.94 173.71 2jwy s GLN 85 N -2.41 0.17 0.26 2.79 -0.44 0.13 -0.73 119.66 119.43 2jwy s GLN 85 Ca 0.41 0.69 -0.29 0.00 -2.50 0.00 0.00 55.36 53.67 2jwy s GLN 85 Cb -0.13 -0.17 -0.09 0.00 -1.64 0.00 0.00 33.01 30.98 2jwy s GLN 85 CO 0.21 -0.34 1.25 0.20 0.50 0.00 0.00 175.29 177.10 2jwy s GLY 86 N 2.42 2.81 -1.41 2.59 0.00 -0.49 0.53 107.32 113.78 2jwy s GLY 86 Ca 0.02 1.10 -0.14 0.00 0.00 0.00 0.00 44.72 45.70 2jwy s GLY 86 CO -0.09 1.86 2.30 -2.21 0.00 0.00 0.00 173.10 174.96 2jwy n GLU 87 N 1.63 2.84 -3.92 2.90 2.13 0.14 -4.79 120.64 121.57 2jwy n GLU 87 Ca 0.02 -2.46 -0.02 0.00 0.66 0.00 0.00 57.16 55.36 2jwy n GLU 87 Cb 0.43 -3.18 0.02 0.00 0.27 0.00 0.00 31.44 28.98 2jwy n GLU 87 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2jwy s SER 88 N 3.22 0.02 0.00 4.31 0.15 -1.26 -4.92 113.70 115.21 2jwy s SER 88 Ca 0.51 -0.58 0.23 0.00 0.70 0.00 0.00 55.95 56.80 2jwy s SER 88 Cb 0.15 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2jwy s SER 88 CO -0.07 -0.84 1.12 0.59 1.20 0.00 0.00 173.24 175.24 2jwy n ASN 89 N -1.25 2.22 -4.73 5.45 3.02 -1.26 -4.79 115.26 113.92 2jwy n ASN 89 Ca -0.01 -1.61 -0.23 0.00 -0.03 0.00 0.00 54.58 52.70 2jwy n ASN 89 Cb 0.59 0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 40.08 2jwy n ASN 89 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2jwy s ASP 90 N -2.37 4.60 0.96 6.41 1.47 -1.26 -4.47 116.67 122.02 2jwy s ASP 90 Ca 0.20 -0.86 -0.13 0.00 1.18 0.00 0.00 52.55 52.94 2jwy s ASP 90 Cb 0.18 -0.65 0.17 0.00 -0.34 0.00 0.00 42.92 42.28 2jwy s ASP 90 CO 0.51 -0.37 1.14 -2.16 0.68 0.00 0.00 175.17 174.98 2jwy s PRO 91 N -3.87 0.74 0.06 2.11 0.04 -1.26 -3.43 135.00 129.40 2jwy s PRO 91 Ca 0.39 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.69 2jwy s PRO 91 Cb -0.01 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2jwy s PRO 91 CO 0.23 -2.45 -0.09 -0.51 0.04 0.00 0.00 177.00 174.22 2jwy s LEU 92 N -6.18 2.31 0.93 -3.56 1.43 -0.92 -4.87 118.68 107.82 2jwy s LEU 92 Ca 0.65 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 2jwy s LEU 92 Cb -0.14 -0.21 0.15 0.00 0.03 0.00 0.00 46.19 46.02 2jwy s LEU 92 CO 0.54 -0.23 1.20 -2.16 0.23 0.00 0.00 176.35 175.93 2jwy s PRO 93 N -2.06 0.98 0.53 1.29 0.04 -1.26 -2.00 135.00 132.50 2jwy s PRO 93 Ca -0.04 0.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.82 2jwy s PRO 93 Cb -0.07 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2jwy s PRO 93 CO -0.00 -2.25 1.14 0.00 0.04 0.00 0.00 177.00 175.92 2jwy s ALA 94 N -3.49 2.75 0.15 8.56 0.00 -1.26 -4.59 121.76 123.87 2jwy s ALA 94 Ca 0.67 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 2jwy s ALA 94 Cb -0.10 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2jwy s ALA 94 CO 0.52 -0.74 0.35 -0.59 0.00 0.00 0.00 175.76 175.30 2jwy s PHE 95 N -1.73 0.10 0.22 0.00 -0.71 -0.73 -0.89 117.98 114.24 2jwy s PHE 95 Ca 0.71 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 56.16 2jwy s PHE 95 Cb -0.25 0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.63 2jwy s PHE 95 CO 0.28 -0.73 0.04 -1.54 -1.34 0.00 0.00 175.22 171.93 2jwy s SER 96 N -2.89 1.31 0.09 1.98 1.04 0.68 -0.53 113.70 115.38 2jwy s SER 96 Ca 0.10 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 54.99 2jwy s SER 96 Cb 0.02 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.34 2jwy s SER 96 CO -0.05 -0.63 0.87 -0.83 0.98 0.00 0.00 173.24 173.57 2jwy s GLY 97 N -3.26 -0.38 -0.40 7.32 0.00 -0.70 -0.45 107.32 109.45 2jwy s GLY 97 Ca 0.31 0.56 -0.12 0.00 0.00 0.00 0.00 44.72 45.48 2jwy s GLY 97 CO 0.09 0.17 0.25 -1.59 0.00 0.00 0.00 173.10 172.03 2jwy s THR 98 N -3.31 4.67 -0.18 0.90 2.01 -0.46 -0.93 115.64 118.35 2jwy s THR 98 Ca 0.07 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 2jwy s THR 98 Cb -0.01 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2jwy s THR 98 CO -0.05 -0.34 0.20 0.68 -0.69 0.00 0.00 174.62 174.42 2jwy s VAL 99 N 1.55 5.36 -0.33 3.82 -7.23 -0.11 -3.26 120.40 120.21 2jwy s VAL 99 Ca 0.03 0.35 -0.08 0.00 -1.81 0.00 0.00 61.98 60.47 2jwy s VAL 99 Cb -0.21 -3.54 0.02 0.00 0.56 0.00 0.00 36.38 33.22 2jwy s VAL 99 CO 0.06 0.42 0.13 -1.61 -0.31 0.00 0.00 175.10 173.79 2jwy s GLU 100 N 0.38 2.86 -0.04 4.82 2.02 0.61 -0.63 118.70 128.73 2jwy s GLU 100 Ca 0.12 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 54.13 2jwy s GLU 100 Cb -0.12 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 2jwy s GLU 100 CO 0.01 -0.59 -0.17 1.52 0.02 0.00 0.00 175.26 176.04 2jwy s TYR 101 N 1.48 2.60 0.00 1.61 1.13 -0.21 -0.18 117.35 123.79 2jwy s TYR 101 Ca 0.01 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2jwy s TYR 101 Cb -0.19 -1.58 0.00 0.00 -1.10 0.00 0.00 41.96 39.09 2jwy s TYR 101 CO 0.04 0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.63 2jwy n GLY 102 N 2.28 1.07 3.56 5.49 0.00 -1.00 -1.19 105.19 115.40 2jwy n GLY 102 Ca -0.17 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2jwy n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwy s GLN 103 N 1.97 1.86 -0.11 1.61 -0.21 0.27 -0.10 119.66 124.94 2jwy s GLN 103 Ca 0.00 -1.97 0.01 0.00 0.02 0.00 0.00 55.36 53.42 2jwy s GLN 103 Cb 0.00 -1.70 0.02 0.00 1.00 0.00 0.00 33.01 32.33 2jwy s GLN 103 CO 0.00 0.10 -0.14 0.42 -2.12 0.00 0.00 175.29 173.55 2jwy s ILE 104 N -2.63 1.42 -0.79 1.08 1.01 -1.26 -0.72 121.20 119.30 2jwy s ILE 104 Ca 0.33 -0.59 0.16 0.00 0.00 0.00 0.00 60.65 60.55 2jwy s ILE 104 Cb 0.04 -1.31 0.74 0.00 0.01 0.00 0.00 42.46 41.94 2jwy s ILE 104 CO 0.17 0.43 1.64 0.00 0.00 0.00 0.00 174.94 177.17 2jwy n GLN 105 N 4.27 4.11 -2.50 2.79 10.64 -0.87 -4.96 117.38 130.87 2jwy n GLN 105 Ca -0.19 -2.86 -0.05 0.00 -1.83 0.00 0.00 57.00 52.07 2jwy n GLN 105 Cb 0.51 -2.03 -0.02 0.00 -0.86 0.00 0.00 30.24 27.84 2jwy n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jwy n GLY 106 N 0.90 3.16 4.02 2.61 0.00 -1.26 -4.80 105.19 109.82 2jwy n GLY 106 Ca 0.26 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 2jwy n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jwy s THR 107 N -2.50 2.06 0.31 2.61 -4.23 0.36 -4.75 115.64 109.49 2jwy s THR 107 Ca 0.11 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 2jwy s THR 107 Cb 0.00 -2.11 0.29 0.00 1.34 0.00 0.00 72.50 72.03 2jwy s THR 107 CO 0.08 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 176.42 2jwy h ILE 108 N 0.22 0.92 -0.03 2.99 1.08 -2.00 -2.66 117.51 118.02 2jwy h ILE 108 Ca -0.30 -0.31 -0.11 0.00 -0.39 0.00 0.00 64.86 63.75 2jwy h ILE 108 Cb 1.29 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 34.98 2jwy h ILE 108 CO 0.42 0.17 -0.39 0.44 -0.69 0.00 0.00 178.15 178.10 2jwy h ASP 109 N 0.91 0.40 -3.08 1.72 3.32 -2.01 -3.43 116.42 114.25 2jwy h ASP 109 Ca 0.46 -0.71 -0.55 0.00 0.02 0.00 0.00 57.03 56.25 2jwy h ASP 109 Cb 0.51 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 39.54 2jwy h ASP 109 CO -0.23 1.06 -0.76 0.54 -1.72 0.00 0.00 179.24 178.12 2jwy s ASN 110 N -6.49 3.61 0.07 6.45 4.22 -1.02 -5.13 114.94 116.65 2jwy s ASN 110 Ca -0.14 -1.34 0.04 0.00 -2.14 0.00 0.00 52.86 49.28 2jwy s ASN 110 Cb 0.03 -0.66 -0.03 0.00 1.28 0.00 0.00 41.25 41.87 2jwy s ASN 110 CO 0.78 -0.39 -0.12 0.72 -2.04 0.00 0.00 177.10 176.05 2jwy s PHE 111 N 1.81 1.06 -0.04 1.54 -0.71 -1.09 -0.49 117.98 120.06 2jwy s PHE 111 Ca 0.07 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 2jwy s PHE 111 Cb -0.17 -0.60 0.02 0.00 -1.21 0.00 0.00 43.02 41.06 2jwy s PHE 111 CO -0.24 0.02 -0.05 -0.65 -1.34 0.00 0.00 175.22 172.96 2jwy s GLN 112 N -1.81 0.79 -0.38 1.99 -0.21 -1.26 -4.91 119.66 113.87 2jwy s GLN 112 Ca -0.03 -0.11 -0.29 0.00 0.02 0.00 0.00 55.36 54.95 2jwy s GLN 112 Cb -0.09 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.14 2jwy s GLN 112 CO 0.02 -0.06 1.08 -1.21 -2.12 0.00 0.00 175.29 173.00 2jwy s GLU 113 N 0.82 3.92 0.25 2.91 8.01 -1.26 -2.04 118.70 131.31 2jwy s GLU 113 Ca -0.11 0.85 0.12 0.00 0.01 0.00 0.00 54.97 55.83 2jwy s GLU 113 Cb -0.14 -3.80 -0.05 0.00 -4.31 0.00 0.00 34.13 25.83 2jwy s GLU 113 CO 0.00 -1.08 -0.19 0.96 0.01 0.00 0.00 175.26 174.96 2jwy s ILE 114 N 3.93 2.56 -1.82 -1.63 -4.36 0.10 -4.67 121.20 115.31 2jwy s ILE 114 Ca 0.46 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2jwy s ILE 114 Cb -0.10 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.29 2jwy s ILE 114 CO 0.22 -0.31 0.00 0.59 0.24 0.00 0.00 174.94 175.67 2jwy n ASN 115 N -0.39 -5.50 -4.86 4.36 3.02 -1.26 -0.57 115.26 110.06 2jwy n ASN 115 Ca -0.07 0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 2jwy n ASN 115 Cb 0.59 -4.68 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 2jwy n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jwy s VAL 116 N -2.88 5.04 0.13 2.41 0.11 -1.26 -4.45 120.40 119.50 2jwy s VAL 116 Ca 0.00 0.55 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 2jwy s VAL 116 Cb 0.00 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2jwy s VAL 116 CO 0.00 0.30 0.35 0.00 -3.33 0.00 0.00 175.10 172.42 2jwy s GLN 117 N -1.85 1.07 0.15 1.54 0.00 -0.33 -4.97 119.66 115.26 2jwy s GLN 117 Ca 0.33 -0.86 0.05 0.00 -0.00 0.00 0.00 55.36 54.88 2jwy s GLN 117 Cb -0.14 0.43 -0.04 0.00 0.00 0.00 0.00 33.01 33.26 2jwy s GLN 117 CO 0.18 -0.40 0.09 0.54 0.00 0.00 0.00 175.29 175.70 2jwy s ASN 118 N -2.85 5.36 0.02 12.60 4.22 -1.26 -1.04 114.94 131.98 2jwy s ASN 118 Ca 0.06 -0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.62 2jwy s ASN 118 Cb 0.02 -1.36 -0.02 0.00 1.28 0.00 0.00 41.25 41.18 2jwy s ASN 118 CO -0.09 0.09 -0.03 -1.58 -2.04 0.00 0.00 177.10 173.46 2jwy s GLN 119 N -2.92 0.27 -0.25 3.55 0.74 0.20 -4.96 119.66 116.28 2jwy s GLN 119 Ca 0.30 -0.53 -0.22 0.00 0.05 0.00 0.00 55.36 54.96 2jwy s GLN 119 Cb -0.10 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.09 2jwy s GLN 119 CO 0.22 -0.04 0.69 -0.51 -0.55 0.00 0.00 175.29 175.10 2jwy s LEU 120 N -1.27 4.07 -0.06 3.68 1.43 -1.26 -0.93 118.68 124.34 2jwy s LEU 120 Ca -0.14 0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 53.68 2jwy s LEU 120 Cb -0.09 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2jwy s LEU 120 CO -0.01 -0.42 0.23 0.27 0.23 0.00 0.00 176.35 176.65 2jwy s ILE 121 N 2.62 5.36 -0.18 -0.59 -4.36 -0.10 -4.95 121.20 119.00 2jwy s ILE 121 Ca 0.29 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 2jwy s ILE 121 Cb -0.15 -3.51 0.04 0.00 1.25 0.00 0.00 42.46 40.09 2jwy s ILE 121 CO 0.08 0.52 -0.07 0.20 0.24 0.00 0.00 174.94 175.92 2jwy s ASN 122 N -1.28 3.07 -0.15 4.36 -0.87 -1.26 -1.72 114.94 117.09 2jwy s ASN 122 Ca 0.21 -0.76 -0.03 0.00 -1.57 0.00 0.00 52.86 50.71 2jwy s ASN 122 Cb -0.13 -1.04 -0.02 0.00 -0.02 0.00 0.00 41.25 40.04 2jwy s ASN 122 CO 0.10 -0.17 -0.06 0.00 -2.57 0.00 0.00 177.10 174.39 2jwy s ALA 123 N 1.54 2.88 0.87 0.60 0.00 0.31 -4.99 121.76 122.98 2jwy s ALA 123 Ca -0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2jwy s ALA 123 Cb -0.16 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.62 2jwy s ALA 123 CO -0.08 0.21 1.09 -1.25 0.00 0.00 0.00 175.76 175.73 2jwy s PRO 124 N 0.38 1.49 -0.15 0.00 0.04 -1.26 -1.78 135.00 133.71 2jwy s PRO 124 Ca -0.06 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 2jwy s PRO 124 Cb -0.15 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2jwy s PRO 124 CO 0.04 -2.09 1.14 0.00 0.04 0.00 0.00 177.00 176.13 2jwy s ALA 125 N -2.96 3.60 -0.70 8.56 0.00 -1.26 -4.45 121.76 124.54 2jwy s ALA 125 Ca 0.63 0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 2jwy s ALA 125 Cb -0.17 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.51 2jwy s ALA 125 CO 0.56 -0.97 0.85 -1.12 0.00 0.00 0.00 175.76 175.09 2jwy s SER 126 N 1.50 6.33 0.42 0.00 0.01 -0.85 -4.87 113.70 116.25 2jwy s SER 126 Ca 0.51 -1.61 0.23 0.00 1.31 0.00 0.00 55.95 56.38 2jwy s SER 126 Cb -0.20 -2.33 0.43 0.00 0.21 0.00 0.00 66.02 64.13 2jwy s SER 126 CO 0.14 -1.11 1.63 0.58 0.41 0.00 0.00 173.24 174.89 2jwy h VAL 127 N 5.80 0.22 -4.15 3.43 2.07 -1.95 -2.44 116.25 119.23 2jwy h VAL 127 Ca -0.16 -1.21 -0.47 0.00 0.82 0.00 0.00 66.70 65.68 2jwy h VAL 127 Cb 1.07 2.02 0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2jwy h VAL 127 CO 1.08 0.12 0.37 -1.48 0.02 0.00 0.00 177.57 177.68 2jwy s LEU 128 N -6.30 3.68 -0.04 2.57 2.34 -1.26 -4.67 118.68 115.01 2jwy s LEU 128 Ca 0.05 1.73 0.06 0.00 0.06 0.00 0.00 54.13 56.03 2jwy s LEU 128 Cb 0.06 -4.53 -0.02 0.00 -0.56 0.00 0.00 46.19 41.14 2jwy s LEU 128 CO 0.67 -0.75 -0.20 0.00 -1.06 0.00 0.00 176.35 175.01 2jwy s ALA 129 N -2.38 2.43 0.59 1.48 0.00 -1.26 -3.52 121.76 119.10 2jwy s ALA 129 Ca 0.62 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 2jwy s ALA 129 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2jwy s ALA 129 CO 0.28 0.54 1.03 -1.25 0.00 0.00 0.00 175.76 176.35 2jwy s PRO 130 N -0.67 3.54 -0.67 0.00 0.04 -1.26 -5.02 135.00 130.96 2jwy s PRO 130 Ca 0.11 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 2jwy s PRO 130 Cb -0.10 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2jwy s PRO 130 CO -0.00 -0.61 1.74 0.45 0.04 0.00 0.00 177.00 178.62 2jwy s SER 131 N -3.38 5.47 -0.01 6.66 0.15 -1.22 -4.94 113.70 116.43 2jwy s SER 131 Ca 0.59 0.05 0.04 0.00 0.70 0.00 0.00 55.95 57.33 2jwy s SER 131 Cb -0.12 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 2jwy s SER 131 CO 0.42 -2.28 -0.11 1.51 1.20 0.00 0.00 173.24 173.98 2jwy s ASP 132 N 7.13 4.29 -0.08 5.45 -4.77 -1.26 -1.39 116.67 126.04 2jwy s ASP 132 Ca 0.60 -0.21 -0.01 0.00 -3.30 0.00 0.00 52.55 49.63 2jwy s ASP 132 Cb -0.11 -0.92 0.03 0.00 -1.09 0.00 0.00 42.92 40.83 2jwy s ASP 132 CO 0.17 0.30 -0.03 -0.69 0.70 0.00 0.00 175.17 175.62 2jwy s VAL 133 N -0.90 0.58 -0.42 2.11 1.01 0.09 -4.87 120.40 118.00 2jwy s VAL 133 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2jwy s VAL 133 Cb -0.11 -0.68 0.10 0.00 0.00 0.00 0.00 36.38 35.69 2jwy s VAL 133 CO 0.05 0.29 0.24 1.51 0.00 0.00 0.00 175.10 177.18 2jwy s ASP 134 N 1.76 5.42 -0.14 3.32 -4.77 -1.26 -0.05 116.67 120.94 2jwy s ASP 134 Ca 0.03 -1.84 -0.01 0.00 -3.30 0.00 0.00 52.55 47.42 2jwy s ASP 134 Cb -0.13 -1.90 -0.02 0.00 -1.09 0.00 0.00 42.92 39.79 2jwy s ASP 134 CO -0.05 -0.56 -0.10 0.27 0.70 0.00 0.00 175.17 175.43 2jwy s ILE 135 N 1.26 3.31 -0.10 2.11 -4.36 -0.70 -4.93 121.20 117.79 2jwy s ILE 135 Ca 0.06 -0.56 -0.30 0.00 -0.26 0.00 0.00 60.65 59.59 2jwy s ILE 135 Cb -0.23 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 2jwy s ILE 135 CO -0.02 0.51 1.40 -2.16 0.24 0.00 0.00 174.94 174.91 2jwy s PRO 136 N 0.45 4.23 -0.33 0.37 0.04 -1.26 -0.77 135.00 137.74 2jwy s PRO 136 Ca -0.08 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 2jwy s PRO 136 Cb -0.15 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.65 2jwy s PRO 136 CO 0.04 -0.72 0.05 -1.17 0.04 0.00 0.00 177.00 175.25 2jwy s LEU 137 N 3.43 4.24 -0.63 -3.56 0.20 0.92 -4.96 118.68 118.32 2jwy s LEU 137 Ca 0.62 -1.44 -0.20 0.00 0.69 0.00 0.00 54.13 53.81 2jwy s LEU 137 Cb -0.27 -1.75 0.10 0.00 -0.43 0.00 0.00 46.19 43.84 2jwy s LEU 137 CO 0.22 -0.33 0.79 -1.58 -0.29 0.00 0.00 176.35 175.16 2jwy s GLN 138 N 1.24 3.11 -0.11 1.98 0.74 -1.26 -1.56 119.66 123.79 2jwy s GLN 138 Ca -0.02 -1.26 -0.30 0.00 0.05 0.00 0.00 55.36 53.84 2jwy s GLN 138 Cb -0.20 -4.30 -0.02 0.00 1.10 0.00 0.00 33.01 29.59 2jwy s GLN 138 CO -0.01 -1.62 1.12 -0.51 -0.55 0.00 0.00 175.29 173.71 2jwy s LEU 139 N 2.95 4.23 0.04 3.68 1.43 0.10 -4.91 118.68 126.19 2jwy s LEU 139 Ca 0.15 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.87 2jwy s LEU 139 Cb -0.21 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2jwy s LEU 139 CO 0.06 -0.57 0.21 -0.54 0.23 0.00 0.00 176.35 175.74 2jwy s LYS 140 N 2.47 3.46 0.00 1.70 1.02 -1.26 -0.43 119.74 126.69 2jwy s LYS 140 Ca 0.51 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.14 2jwy s LYS 140 Cb -0.21 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2jwy s LYS 140 CO 0.17 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.64 2jwy n GLY 141 N 0.56 1.58 2.69 -3.33 0.00 0.45 -4.86 105.19 102.29 2jwy n GLY 141 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2jwy n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwy s ILE 142 N -2.52 0.02 0.62 -0.61 2.07 -1.24 -4.97 121.20 114.57 2jwy s ILE 142 Ca 0.00 0.29 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 2jwy s ILE 142 Cb 0.00 -0.29 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 2jwy s ILE 142 CO 0.00 0.16 1.05 -0.44 -1.91 0.00 0.00 174.94 173.80 2jwy s SER 143 N 2.11 5.71 0.23 4.50 0.01 -1.26 -2.74 113.70 122.26 2jwy s SER 143 Ca 0.05 1.72 -0.08 0.00 1.31 0.00 0.00 55.95 58.95 2jwy s SER 143 Cb -0.12 -2.52 0.37 0.00 0.21 0.00 0.00 66.02 63.95 2jwy s SER 143 CO -0.04 -1.21 1.70 1.62 0.41 0.00 0.00 173.24 175.71 2jwy h VAL 144 N 0.06 0.59 0.00 3.43 3.04 -1.90 0.13 116.25 121.60 2jwy h VAL 144 Ca -0.46 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2jwy h VAL 144 Cb 1.21 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2jwy h VAL 144 CO 0.58 0.05 0.00 -0.67 -1.01 0.00 0.00 177.57 176.52 2jwy n ASP 145 N -5.13 0.69 -0.27 3.17 2.03 -1.26 -1.96 116.55 113.81 2jwy n ASP 145 Ca 0.11 0.68 0.12 0.00 0.52 0.00 0.00 54.79 56.23 2jwy n ASP 145 Cb 0.38 -0.82 0.29 0.00 -0.72 0.00 0.00 41.12 40.25 2jwy n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwy n GLN 146 N -2.27 0.84 -2.29 -0.67 1.13 0.44 -4.89 117.38 109.67 2jwy n GLN 146 Ca 0.02 -0.55 -0.43 0.00 -1.94 0.00 0.00 57.00 54.10 2jwy n GLN 146 Cb 0.21 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.05 2jwy n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jwy s LEU 147 N -2.54 3.78 -0.13 1.08 1.43 -0.83 -4.62 118.68 116.85 2jwy s LEU 147 Ca 0.22 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2jwy s LEU 147 Cb 0.19 -3.54 -0.24 0.00 0.03 0.00 0.00 46.19 42.63 2jwy s LEU 147 CO 0.55 -1.27 0.33 0.61 0.23 0.00 0.00 176.35 176.80 2jwy n GLY 148 N 4.69 -0.68 3.46 -3.19 0.00 0.85 -4.81 105.19 105.52 2jwy n GLY 148 Ca 0.17 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2jwy n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jwy s PHE 149 N -2.56 -0.47 -0.31 1.61 -0.71 -0.44 -4.73 117.98 110.38 2jwy s PHE 149 Ca -0.19 0.27 -0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2jwy s PHE 149 Cb 0.07 0.56 0.10 0.00 -1.21 0.00 0.00 43.02 42.54 2jwy s PHE 149 CO 0.76 -0.78 0.08 0.08 -1.34 0.00 0.00 175.22 174.02 2jwy s VAL 150 N -3.58 1.04 -0.25 -2.49 1.01 0.40 -2.38 120.40 114.14 2jwy s VAL 150 Ca 0.03 -1.46 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 2jwy s VAL 150 Cb -0.01 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2jwy s VAL 150 CO -0.11 -0.63 0.76 -0.60 0.00 0.00 0.00 175.10 174.53 2jwy s ARG 151 N 1.54 4.15 -0.21 2.72 3.52 0.74 -0.57 118.95 130.85 2jwy s ARG 151 Ca 0.09 0.81 -0.07 0.00 -0.13 0.00 0.00 55.73 56.42 2jwy s ARG 151 Cb -0.17 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 2jwy s ARG 151 CO -0.22 -0.49 0.07 0.42 -0.81 0.00 0.00 175.30 174.27 2jwy s ILE 152 N 2.73 4.61 0.14 4.11 -1.09 -0.21 -0.28 121.20 131.22 2jwy s ILE 152 Ca 0.32 -0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.56 2jwy s ILE 152 Cb -0.15 -3.11 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 2jwy s ILE 152 CO 0.08 0.40 0.49 0.00 -1.23 0.00 0.00 174.94 174.68 2jwy n HIS 153 N 4.13 -1.30 -1.59 3.97 1.44 -1.20 -1.37 115.22 119.29 2jwy n HIS 153 Ca -0.16 -0.80 -0.13 0.00 -2.01 0.00 0.00 57.72 54.61 2jwy n HIS 153 Cb 0.52 0.39 -0.05 0.00 0.12 0.00 0.00 29.99 30.98 2jwy n HIS 153 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2jwy n ASP 154 N -1.09 -4.50 -4.60 4.39 2.03 -1.26 -1.35 116.55 110.16 2jwy n ASP 154 Ca -0.03 0.25 -0.43 0.00 0.52 0.00 0.00 54.79 55.10 2jwy n ASP 154 Cb 0.31 -3.30 -0.03 0.00 -0.72 0.00 0.00 41.12 37.39 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jwy s ILE 155 N -2.54 3.42 0.02 5.18 -1.09 -1.26 -4.23 121.20 120.71 2jwy s ILE 155 Ca 0.00 0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.89 2jwy s ILE 155 Cb 0.00 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2jwy s ILE 155 CO 0.00 -0.34 -0.10 0.00 -1.23 0.00 0.00 174.94 173.27 2jwy s GLN 156 N 5.64 0.74 0.73 2.79 -2.07 0.40 -3.05 119.66 124.84 2jwy s GLN 156 Ca 0.82 -0.58 -0.14 0.00 -1.82 0.00 0.00 55.36 53.64 2jwy s GLN 156 Cb -0.24 -0.68 0.04 0.00 -1.09 0.00 0.00 33.01 31.03 2jwy s GLN 156 CO 0.34 0.17 1.15 -1.25 -1.32 0.00 0.00 175.29 174.38 2jwy s PRO 157 N -0.87 2.28 0.12 9.60 0.04 -1.26 -0.23 135.00 144.67 2jwy s PRO 157 Ca -0.00 1.53 0.09 0.00 0.04 0.00 0.00 61.00 62.66 2jwy s PRO 157 Cb -0.06 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2jwy s PRO 157 CO 0.00 -1.68 -0.23 0.14 0.04 0.00 0.00 177.00 175.28 2jwy s VAL 158 N -2.29 1.91 0.12 -0.36 -7.23 -0.07 -4.72 120.40 107.75 2jwy s VAL 158 Ca 0.69 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 2jwy s VAL 158 Cb -0.24 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.00 2jwy s VAL 158 CO 0.46 -0.03 0.32 1.15 -0.31 0.00 0.00 175.10 176.70 2jwy n MET 159 N 0.96 0.36 -0.98 4.82 0.00 -1.26 -4.57 117.12 116.44 2jwy n MET 159 Ca -0.18 -0.73 -0.30 0.00 0.00 0.00 0.00 57.70 56.49 2jwy n MET 159 Cb 0.54 0.93 0.16 0.00 0.00 0.00 0.00 33.22 34.84 2jwy n MET 159 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2jwy s GLN 160 N -2.03 0.96 0.91 3.17 -2.07 -1.26 -5.02 119.66 114.33 2jwy s GLN 160 Ca 0.07 1.04 -0.12 0.00 -1.82 0.00 0.00 55.36 54.53 2jwy s GLN 160 Cb -0.02 -1.76 0.14 0.00 -1.09 0.00 0.00 33.01 30.28 2jwy s GLN 160 CO 0.04 -2.50 1.11 -0.51 -1.32 0.00 0.00 175.29 172.10 2jwy s LEU 161 N -6.44 2.03 0.36 2.60 1.43 -1.26 -5.05 118.68 112.35 2jwy s LEU 161 Ca 0.65 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2jwy s LEU 161 Cb -0.20 -3.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2jwy s LEU 161 CO 0.58 -2.61 0.56 -0.70 0.23 0.00 0.00 176.35 174.42 2jwy s GLU 162 N -5.14 3.44 -0.24 1.70 -6.30 -1.26 -5.03 118.70 105.86 2jwy s GLU 162 Ca 0.64 -0.35 0.12 0.00 -2.50 0.00 0.00 54.97 52.88 2jwy s GLU 162 Cb -0.16 -2.65 0.52 0.00 0.00 0.00 0.00 34.13 31.84 2jwy s GLU 162 CO 0.55 0.10 1.46 -2.39 0.02 0.00 0.00 175.26 174.99 2jwy n HIS 163 N -1.82 1.08 -2.81 5.30 1.44 -1.26 -4.98 115.22 112.16 2jwy n HIS 163 Ca -0.04 -1.27 -0.00 0.00 -2.01 0.00 0.00 57.72 54.40 2jwy n HIS 163 Cb 0.56 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.25 2jwy n HIS 163 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jwy n HIS 164 N -0.86 -2.51 0.72 -1.40 8.25 -1.26 -4.93 115.22 113.23 2jwy n HIS 164 Ca 0.29 0.96 0.11 0.00 -0.26 0.00 0.00 57.72 58.82 2jwy n HIS 164 Cb 0.99 -3.71 0.47 0.00 1.12 0.00 0.00 29.99 28.87 2jwy n HIS 164 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jwy n HIS 165 N -1.66 0.21 -3.41 4.41 1.44 -1.26 -4.95 115.22 110.00 2jwy n HIS 165 Ca -0.00 0.07 -0.19 0.00 -2.01 0.00 0.00 57.72 55.59 2jwy n HIS 165 Cb 0.50 -0.61 0.06 0.00 0.12 0.00 0.00 29.99 30.06 2jwy n HIS 165 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jwy n HIS 166 N -1.68 -2.26 0.00 -1.40 -0.00 -1.26 -4.98 115.22 103.64 2jwy n HIS 166 Ca 0.05 0.79 0.00 0.00 0.46 0.00 0.00 57.72 59.02 2jwy n HIS 166 Cb 0.28 -4.17 0.00 0.00 -0.12 0.00 0.00 29.99 25.98 2jwy n HIS 166 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwy n HIS 167 N -3.66 0.00 -1.42 1.57 -0.00 -1.26 -5.31 115.22 105.14 2jwy n HIS 167 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2jwy n HIS 167 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 2jwy n HIS 167 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95