#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy h VAL 2 N 0.00 0.46 -0.55 2.03 3.04 -2.12 -3.46 116.25 115.66 2jwy h VAL 2 Ca 0.00 -0.76 -0.16 0.00 -1.01 0.00 0.00 66.70 64.77 2jwy h VAL 2 Cb 0.00 0.74 -0.06 0.00 -2.01 0.00 0.00 31.29 29.96 2jwy h VAL 2 CO 0.00 0.11 -0.14 0.00 -1.01 0.00 0.00 177.57 176.52 2jwy n GLN 3 N -5.08 -1.71 -2.33 4.17 6.02 -1.26 -4.95 117.38 112.24 2jwy n GLN 3 Ca -0.08 0.67 -0.27 0.00 -0.01 0.00 0.00 57.00 57.30 2jwy n GLN 3 Cb 0.26 -4.86 0.03 0.00 1.02 0.00 0.00 30.24 26.69 2jwy n GLN 3 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jwy s GLN 4 N -2.43 3.00 -0.57 -1.09 -0.21 -1.26 -4.96 119.66 112.13 2jwy s GLN 4 Ca 0.00 0.11 -0.26 0.00 0.02 0.00 0.00 55.36 55.23 2jwy s GLN 4 Cb 0.00 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 2jwy s GLN 4 CO 0.00 -0.69 2.15 -1.54 -2.12 0.00 0.00 175.29 173.09 2jwy s SER 5 N -4.29 4.80 -0.47 5.90 1.04 -1.26 -4.91 113.70 114.51 2jwy s SER 5 Ca 0.54 0.64 -0.27 0.00 0.48 0.00 0.00 55.95 57.34 2jwy s SER 5 Cb -0.11 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 2jwy s SER 5 CO 0.46 -2.70 1.82 -0.70 0.98 0.00 0.00 173.24 173.10 2jwy s GLU 6 N 7.71 2.99 0.52 4.02 2.56 -1.26 -4.98 118.70 130.25 2jwy s GLU 6 Ca 0.83 1.01 -0.06 0.00 0.00 0.00 0.00 54.97 56.75 2jwy s GLU 6 Cb -0.14 -4.28 -0.03 0.00 2.00 0.00 0.00 34.13 31.67 2jwy s GLU 6 CO 0.22 -2.28 0.83 0.14 -0.56 0.00 0.00 175.26 173.61 2jwy s VAL 7 N 7.95 4.69 -0.29 3.70 -7.23 -1.26 -5.07 120.40 122.89 2jwy s VAL 7 Ca 0.73 0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 61.04 2jwy s VAL 7 Cb -0.17 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 2jwy s VAL 7 CO 0.27 -0.83 0.19 -0.13 -0.31 0.00 0.00 175.10 174.29 2jwy s ARG 8 N -4.84 3.77 0.49 4.82 1.81 -1.26 -5.07 118.95 118.68 2jwy s ARG 8 Ca 0.49 -0.44 -0.24 0.00 -1.72 0.00 0.00 55.73 53.83 2jwy s ARG 8 Cb -0.10 -3.65 -0.07 0.00 -0.45 0.00 0.00 34.95 30.68 2jwy s ARG 8 CO 0.46 -0.26 1.40 1.04 -0.68 0.00 0.00 175.30 177.26 2jwy n GLN 9 N 5.05 1.99 -2.55 3.54 6.02 -1.26 -4.94 117.38 125.23 2jwy n GLN 9 Ca -0.14 0.72 -0.43 0.00 -0.01 0.00 0.00 57.00 57.14 2jwy n GLN 9 Cb 0.51 -2.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.15 2jwy n GLN 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jwy s MET 10 N -2.64 4.22 -0.55 -1.09 0.23 -1.26 -5.00 119.30 113.21 2jwy s MET 10 Ca 0.66 1.46 -0.22 0.00 -1.03 0.00 0.00 55.69 56.56 2jwy s MET 10 Cb -0.44 -3.71 0.06 0.00 -1.53 0.00 0.00 34.83 29.21 2jwy s MET 10 CO 0.54 -0.70 0.81 0.15 -2.03 0.00 0.00 175.02 173.79 2jwy s LYS 11 N 3.39 3.20 -0.08 3.16 -0.14 -1.26 -5.00 119.74 123.01 2jwy s LYS 11 Ca 0.49 -0.64 -0.03 0.00 -1.36 0.00 0.00 55.97 54.43 2jwy s LYS 11 Cb -0.18 -4.11 0.05 0.00 -1.68 0.00 0.00 37.83 31.91 2jwy s LYS 11 CO 0.11 -1.44 0.16 -1.58 -0.76 0.00 0.00 175.35 171.84 2jwy s HIS 12 N 3.40 -0.18 -0.28 3.18 2.46 -1.26 -5.13 115.29 117.48 2jwy s HIS 12 Ca 0.22 0.60 -0.13 0.00 0.47 0.00 0.00 55.06 56.23 2jwy s HIS 12 Cb -0.16 -0.23 0.10 0.00 -0.13 0.00 0.00 32.58 32.16 2jwy s HIS 12 CO 0.14 -0.26 0.65 -1.54 -2.47 0.00 0.00 174.74 171.26 2jwy s SER 13 N 2.13 -0.98 -0.05 9.88 1.04 -1.26 -5.18 113.70 119.28 2jwy s SER 13 Ca 0.01 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.77 2jwy s SER 13 Cb -0.12 1.76 0.03 0.00 0.10 0.00 0.00 66.02 67.79 2jwy s SER 13 CO -0.06 -0.23 0.36 0.54 0.98 0.00 0.00 173.24 174.84 2jwy s VAL 14 N 2.22 0.04 -0.33 5.02 0.11 -1.26 -5.13 120.40 121.07 2jwy s VAL 14 Ca -0.08 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 2jwy s VAL 14 Cb -0.09 -0.63 0.14 0.00 -1.53 0.00 0.00 36.38 34.28 2jwy s VAL 14 CO -0.19 -0.17 0.31 -0.44 -3.33 0.00 0.00 175.10 171.28 2jwy s SER 15 N -0.90 1.74 0.31 3.54 0.01 -1.26 -5.15 113.70 111.98 2jwy s SER 15 Ca -0.10 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 55.89 2jwy s SER 15 Cb -0.04 0.36 -0.06 0.00 0.21 0.00 0.00 66.02 66.49 2jwy s SER 15 CO 0.04 -0.33 0.01 0.42 0.41 0.00 0.00 173.24 173.79 2jwy s THR 16 N 1.78 1.38 -0.86 1.44 -4.23 -1.26 -5.09 115.64 108.81 2jwy s THR 16 Ca 0.14 -2.04 -0.24 0.00 -1.18 0.00 0.00 61.69 58.36 2jwy s THR 16 Cb -0.16 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.07 2jwy s THR 16 CO -0.16 -0.13 1.29 -0.76 -0.54 0.00 0.00 174.62 174.32 2jwy s LEU 17 N -3.47 3.64 0.00 4.79 1.02 -1.26 -4.78 118.68 118.61 2jwy s LEU 17 Ca 0.33 -1.06 0.00 0.00 0.02 0.00 0.00 54.13 53.42 2jwy s LEU 17 Cb 0.07 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.75 2jwy s LEU 17 CO 0.14 -1.58 0.00 -3.20 0.02 0.00 0.00 176.35 171.73 2jwy n ASN 18 N 8.69 0.00 -0.82 2.29 4.05 -1.26 -5.17 115.26 123.03 2jwy n ASN 18 Ca 0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.19 2jwy n ASN 18 Cb 0.49 -0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 2jwy n ASN 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jwy n GLN 19 N -1.16 0.00 -1.67 1.20 10.64 -1.26 -5.16 117.38 119.97 2jwy n GLN 19 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 2jwy n GLN 19 Cb 0.00 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.45 2jwy n GLN 19 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2jwy s GLU 20 N -1.47 2.50 0.75 2.61 -1.05 -1.26 -5.02 118.70 115.77 2jwy s GLU 20 Ca 0.00 1.78 -0.11 0.00 -0.15 0.00 0.00 54.97 56.49 2jwy s GLU 20 Cb 0.00 -1.87 0.04 0.00 -0.44 0.00 0.00 34.13 31.86 2jwy s GLU 20 CO 0.00 -1.57 1.09 -1.64 0.95 0.00 0.00 175.26 174.10 2jwy s MET 21 N -3.69 2.47 0.00 -4.83 -1.94 -1.26 -5.08 119.30 104.96 2jwy s MET 21 Ca 0.76 0.59 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 2jwy s MET 21 Cb -0.30 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.58 2jwy s MET 21 CO 0.41 -1.34 0.00 0.25 -0.01 0.00 0.00 175.02 174.32 2jwy n THR 22 N -3.24 0.00 -0.42 2.05 -2.24 -1.26 -5.08 114.28 104.10 2jwy n THR 22 Ca 0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 2jwy n THR 22 Cb 0.56 -1.84 0.16 0.00 -2.10 0.00 0.00 70.33 67.11 2jwy n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwy n GLN 23 N -0.59 -3.05 -1.68 -0.78 0.00 -1.26 -4.90 117.38 105.12 2jwy n GLN 23 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 57.00 55.67 2jwy n GLN 23 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 30.24 29.22 2jwy n GLN 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2jwy n LEU 24 N 0.00 3.19 -4.49 2.61 7.94 -1.26 -5.02 117.00 119.97 2jwy n LEU 24 Ca 0.08 1.19 -0.24 0.00 -1.11 0.00 0.00 56.01 55.94 2jwy n LEU 24 Cb 0.34 -1.44 -0.10 0.00 0.53 0.00 0.00 43.42 42.74 2jwy n LEU 24 CO 0.23 -0.64 -0.37 0.20 -1.11 0.00 0.00 177.39 175.70 2jwy s ASN 25 N -0.26 3.23 0.13 1.96 0.01 -1.26 -5.05 114.94 113.71 2jwy s ASN 25 Ca 0.58 -1.20 -0.20 0.00 -0.71 0.00 0.00 52.86 51.33 2jwy s ASN 25 Cb -0.60 -0.26 -0.02 0.00 0.41 0.00 0.00 41.25 40.78 2jwy s ASN 25 CO 0.60 -0.29 1.70 -0.61 -1.51 0.00 0.00 177.10 176.99 2jwy h GLN 26 N 2.14 -0.01 -0.85 -0.60 -0.00 -2.00 -1.66 115.11 112.13 2jwy h GLN 26 Ca -0.41 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.26 2jwy h GLN 26 Cb 1.24 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.68 2jwy h GLN 26 CO 0.69 -0.01 0.55 1.05 0.00 0.00 0.00 178.83 181.12 2jwy h GLU 27 N -0.01 1.08 -0.03 1.69 4.11 -1.98 -1.68 114.58 117.76 2jwy h GLU 27 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2jwy h GLU 27 Cb 0.17 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2jwy h GLU 27 CO -0.22 0.71 -0.01 1.15 0.07 0.00 0.00 179.01 180.72 2jwy h THR 28 N 1.11 1.03 -0.16 -1.06 2.02 -1.65 0.21 112.91 114.41 2jwy h THR 28 Ca 0.32 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 2jwy h THR 28 Cb -0.08 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jwy h THR 28 CO -0.09 0.04 0.02 0.58 0.37 0.00 0.00 175.52 176.43 2jwy h VAL 29 N 0.05 1.23 -0.82 3.16 2.07 -0.45 -1.82 116.25 119.67 2jwy h VAL 29 Ca 0.01 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2jwy h VAL 29 Cb 0.04 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2jwy h VAL 29 CO 0.00 0.23 0.54 0.11 0.02 0.00 0.00 177.57 178.47 2jwy h LYS 30 N 0.04 1.06 -0.31 1.57 6.56 -0.96 0.55 116.57 125.07 2jwy h LYS 30 Ca 0.05 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 59.61 2jwy h LYS 30 Cb 0.33 -0.24 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 2jwy h LYS 30 CO 0.01 0.70 0.09 0.82 -2.06 0.00 0.00 179.45 179.00 2jwy h ILE 31 N 1.09 0.88 -0.79 1.86 2.04 -0.86 0.16 117.51 121.89 2jwy h ILE 31 Ca 0.31 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2jwy h ILE 31 Cb -0.09 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2jwy h ILE 31 CO -0.07 0.04 0.41 0.74 0.00 0.00 0.00 178.15 179.26 2jwy h THR 32 N 0.21 1.24 -0.55 -0.27 2.02 -0.56 -2.47 112.91 112.53 2jwy h THR 32 Ca 0.14 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 2jwy h THR 32 Cb 0.13 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2jwy h THR 32 CO -0.17 0.28 0.04 -0.61 0.37 0.00 0.00 175.52 175.44 2jwy h GLN 33 N 1.10 0.91 0.57 6.66 4.15 -0.50 -2.69 115.11 125.32 2jwy h GLN 33 Ca 0.27 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2jwy h GLN 33 Cb 0.08 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2jwy h GLN 33 CO -0.04 0.88 -0.38 0.37 -1.93 0.00 0.00 178.83 177.73 2jwy h GLN 34 N 0.85 -0.88 -0.69 1.69 -0.00 -0.38 -2.06 115.11 113.64 2jwy h GLN 34 Ca 0.17 0.06 0.12 0.00 -0.00 0.00 0.00 58.65 59.00 2jwy h GLN 34 Cb 0.44 0.20 -0.09 0.00 0.00 0.00 0.00 27.48 28.04 2jwy h GLN 34 CO 0.02 -0.59 0.24 -0.91 0.00 0.00 0.00 178.83 177.59 2jwy h ASN 35 N -0.92 0.20 -0.07 -0.69 2.35 -1.39 0.93 115.58 115.99 2jwy h ASN 35 Ca -0.07 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2jwy h ASN 35 Cb 0.76 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 2jwy h ASN 35 CO 0.05 0.09 -0.00 0.03 -1.65 0.00 0.00 177.43 175.94 2jwy h ARG 36 N 0.39 0.12 -0.36 0.81 3.08 -1.39 0.32 114.38 117.36 2jwy h ARG 36 Ca 0.37 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2jwy h ARG 36 Cb 0.53 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2jwy h ARG 36 CO -0.38 0.41 0.19 -0.07 -1.07 0.00 0.00 179.97 179.04 2jwy h LEU 37 N -0.17 0.46 -1.47 3.04 3.38 -1.11 -2.30 115.31 117.13 2jwy h LEU 37 Ca 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2jwy h LEU 37 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jwy h LEU 37 CO 0.00 0.44 -0.27 -1.13 0.09 0.00 0.00 178.44 177.57 2jwy h ASN 38 N 0.45 0.00 -0.01 -0.43 -1.24 -0.76 -1.54 115.58 112.05 2jwy h ASN 38 Ca 0.13 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.05 2jwy h ASN 38 Cb 0.09 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 2jwy h ASN 38 CO -0.02 0.27 -0.22 0.00 -1.29 0.00 0.00 177.43 176.17 2jwy h ALA 39 N 1.73 1.22 0.00 1.57 0.00 0.01 -2.41 119.26 121.39 2jwy h ALA 39 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2jwy h ALA 39 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jwy h ALA 39 CO 0.04 0.51 -0.16 0.87 0.00 0.00 0.00 179.25 180.50 2jwy h LYS 40 N 0.35 0.00 -6.42 0.00 1.57 -0.76 -3.45 116.57 107.86 2jwy h LYS 40 Ca 0.06 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 2jwy h LYS 40 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.92 2jwy h LYS 40 CO 0.04 0.16 1.06 0.45 -0.57 0.00 0.00 179.45 180.60 2jwy s SER 41 N -6.18 6.56 0.00 0.86 0.15 -0.73 -4.89 113.70 109.48 2jwy s SER 41 Ca 0.04 2.52 0.14 0.00 0.70 0.00 0.00 55.95 59.35 2jwy s SER 41 Cb 0.07 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.94 2jwy s SER 41 CO 0.66 -0.94 0.95 -1.20 1.20 0.00 0.00 173.24 173.91 2jwy n SER 42 N 6.11 2.18 -3.11 5.45 7.64 -1.26 -4.79 113.62 125.83 2jwy n SER 42 Ca 0.17 -1.59 -0.18 0.00 1.01 0.00 0.00 58.87 58.28 2jwy n SER 42 Cb 0.40 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 2jwy n SER 42 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jwy n SER 43 N 0.78 -1.55 0.00 6.43 2.88 -1.26 -5.13 113.62 115.77 2jwy n SER 43 Ca 0.08 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 2jwy n SER 43 Cb 0.36 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 2jwy n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jwy n GLY 44 N 2.55 -0.44 3.17 0.46 0.00 -1.26 -4.77 105.19 104.90 2jwy n GLY 44 Ca 0.23 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 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 1.09 -0.38 1.61 -7.23 -0.64 -4.88 120.40 109.97 2jwy s VAL 45 Ca 0.00 -1.29 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 2jwy s VAL 45 Cb 0.00 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.90 2jwy s VAL 45 CO 0.00 -0.23 0.28 -0.31 -0.31 0.00 0.00 175.10 174.53 2jwy s TYR 46 N -1.27 3.23 -0.43 2.82 1.51 -1.26 -0.92 117.35 121.04 2jwy s TYR 46 Ca -0.02 -0.44 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 2jwy s TYR 46 Cb -0.10 -2.55 0.07 0.00 -0.11 0.00 0.00 41.96 39.27 2jwy s TYR 46 CO 0.02 -0.50 0.29 -0.51 -1.11 0.00 0.00 175.55 173.74 2jwy s LEU 47 N 1.70 5.21 -0.05 -1.29 1.43 0.51 -4.79 118.68 121.39 2jwy s LEU 47 Ca 0.06 -1.34 -0.27 0.00 -1.03 0.00 0.00 54.13 51.55 2jwy s LEU 47 Cb -0.18 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2jwy s LEU 47 CO 0.10 -0.54 0.85 -0.76 0.23 0.00 0.00 176.35 176.24 2jwy s LEU 48 N 1.52 4.32 0.54 1.79 1.43 -1.26 -0.45 118.68 126.56 2jwy s LEU 48 Ca 0.03 1.40 0.23 0.00 -1.03 0.00 0.00 54.13 54.76 2jwy s LEU 48 Cb -0.23 -3.33 1.40 0.00 0.03 0.00 0.00 46.19 44.06 2jwy s LEU 48 CO 0.04 -0.23 2.07 -0.65 0.23 0.00 0.00 176.35 177.82 2jwy h PRO 49 N 6.87 0.00 -0.42 1.29 0.11 -1.87 0.10 132.00 138.08 2jwy h PRO 49 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2jwy h PRO 49 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jwy h PRO 49 CO 0.77 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.97 2jwy n GLY 50 N -1.56 0.99 2.72 -0.55 0.00 -1.26 -4.65 105.19 100.88 2jwy n GLY 50 Ca 0.03 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2jwy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwy s ALA 51 N -1.43 2.46 -1.13 4.61 0.00 0.02 -4.51 121.76 121.77 2jwy s ALA 51 Ca 0.29 -2.88 -0.24 0.00 0.00 0.00 0.00 51.96 49.13 2jwy s ALA 51 Cb 0.15 -1.92 -0.13 0.00 0.00 0.00 0.00 23.12 21.22 2jwy s ALA 51 CO 0.20 -2.05 2.01 0.15 0.00 0.00 0.00 175.76 176.06 2jwy s LYS 52 N -0.11 2.03 0.03 0.00 1.02 -1.26 -4.58 119.74 116.86 2jwy s LYS 52 Ca 0.21 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.37 2jwy s LYS 52 Cb -0.16 -5.14 -0.02 0.00 -0.52 0.00 0.00 37.83 31.99 2jwy s LYS 52 CO -0.06 -4.49 -0.05 0.95 -0.92 0.00 0.00 175.35 170.78 2jwy s THR 53 N 13.12 0.28 -0.08 2.17 -4.23 -1.26 -5.06 115.64 120.58 2jwy s THR 53 Ca 0.73 -1.05 -0.27 0.00 -1.18 0.00 0.00 61.69 59.93 2jwy s THR 53 Cb -0.03 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 2jwy s THR 53 CO 0.14 -0.50 0.87 -2.16 -0.54 0.00 0.00 174.62 172.44 2jwy s PRO 54 N -1.70 4.44 -0.13 3.99 0.04 -1.26 -4.44 135.00 135.93 2jwy s PRO 54 Ca -0.12 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 2jwy s PRO 54 Cb -0.09 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 2jwy s PRO 54 CO -0.01 -0.13 -0.03 0.00 0.04 0.00 0.00 177.00 176.87 2jwy s ALA 55 N 1.39 3.05 -0.17 8.56 0.00 0.40 -4.94 121.76 130.05 2jwy s ALA 55 Ca 0.44 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 2jwy s ALA 55 Cb -0.19 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 2jwy s ALA 55 CO 0.20 0.31 0.54 0.50 0.00 0.00 0.00 175.76 177.31 2jwy s ARG 56 N 0.03 4.25 -0.08 0.00 3.52 -1.26 -1.06 118.95 124.34 2jwy s ARG 56 Ca 0.01 0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 56.09 2jwy s ARG 56 Cb -0.13 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2jwy s ARG 56 CO 0.03 -0.07 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.24 2jwy s LEU 57 N 1.38 0.90 -0.43 -0.88 2.96 -0.04 -4.94 118.68 117.63 2jwy s LEU 57 Ca 0.26 -0.18 -0.24 0.00 -0.22 0.00 0.00 54.13 53.75 2jwy s LEU 57 Cb -0.16 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 45.96 2jwy s LEU 57 CO 0.10 -0.15 0.86 -0.70 -1.32 0.00 0.00 176.35 175.14 2jwy s GLU 58 N 1.75 3.55 0.17 1.98 2.12 -1.26 -0.92 118.70 126.08 2jwy s GLU 58 Ca 0.03 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.50 2jwy s GLU 58 Cb -0.13 -3.90 0.01 0.00 0.26 0.00 0.00 34.13 30.37 2jwy s GLU 58 CO -0.06 -1.10 0.10 -1.13 -0.54 0.00 0.00 175.26 172.52 2jwy n SER 59 N 6.86 1.76 0.20 -1.70 3.41 -0.12 -4.97 113.62 119.06 2jwy n SER 59 Ca 0.04 -1.62 0.08 0.00 -0.26 0.00 0.00 58.87 57.12 2jwy n SER 59 Cb 0.48 0.02 0.32 0.00 -0.26 0.00 0.00 64.21 64.77 2jwy n SER 59 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jwy h GLN 60 N 0.00 0.00 0.00 4.33 4.20 -1.92 -3.14 115.11 118.58 2jwy h GLN 60 Ca -0.11 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.34 2jwy h GLN 60 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2jwy h GLN 60 CO 0.18 0.29 -1.47 -0.84 -0.67 0.00 0.00 178.83 176.32 2jwy h ILE 61 N 0.00 1.01 0.00 2.54 3.07 -1.96 -3.47 117.51 118.71 2jwy h ILE 61 Ca -0.00 -2.78 0.00 0.00 1.55 0.00 0.00 64.86 63.63 2jwy h ILE 61 Cb 0.94 2.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.96 2jwy h ILE 61 CO 0.04 0.58 0.00 0.61 -1.05 0.00 0.00 178.15 178.32 2jwy n GLY 62 N 1.48 -1.16 3.60 0.16 0.00 -1.19 -4.98 105.19 103.10 2jwy n GLY 62 Ca -0.12 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 2jwy n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 63 N -2.42 4.47 0.43 2.61 2.01 -1.26 -0.95 115.64 120.53 2jwy s THR 63 Ca 0.00 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.24 2jwy s THR 63 Cb 0.00 -4.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.02 2jwy s THR 63 CO 0.00 -0.70 0.01 -1.48 -0.69 0.00 0.00 174.62 171.77 2jwy s LEU 64 N 3.77 2.75 -0.18 4.42 0.05 -0.10 -0.94 118.68 128.45 2jwy s LEU 64 Ca 0.41 -1.43 -0.02 0.00 0.05 0.00 0.00 54.13 53.14 2jwy s LEU 64 Cb -0.11 -0.87 0.05 0.00 -2.05 0.00 0.00 46.19 43.22 2jwy s LEU 64 CO 0.23 -0.54 0.01 -0.60 -0.55 0.00 0.00 176.35 174.89 2jwy s ARG 65 N -3.75 0.86 0.05 1.48 3.52 0.21 -0.86 118.95 120.46 2jwy s ARG 65 Ca 0.28 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.48 2jwy s ARG 65 Cb 0.08 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 31.42 2jwy s ARG 65 CO 0.15 -0.57 0.03 -1.64 -0.81 0.00 0.00 175.30 172.45 2jwy s MET 66 N 1.79 2.74 0.09 5.12 -1.94 -0.23 -0.24 119.30 126.63 2jwy s MET 66 Ca -0.01 -0.70 -0.19 0.00 -1.71 0.00 0.00 55.69 53.08 2jwy s MET 66 Cb -0.16 -2.65 0.04 0.00 2.01 0.00 0.00 34.83 34.07 2jwy s MET 66 CO -0.07 0.58 0.45 0.45 -0.01 0.00 0.00 175.02 176.42 2jwy s SER 67 N -2.05 -0.32 -0.34 3.03 0.15 -0.93 -0.45 113.70 112.79 2jwy s SER 67 Ca 0.24 -0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.70 2jwy s SER 67 Cb -0.12 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2jwy s SER 67 CO 0.16 -0.78 0.20 -0.76 1.20 0.00 0.00 173.24 173.26 2jwy s LEU 68 N -2.37 4.41 0.21 3.45 1.43 -1.26 -2.00 118.68 122.55 2jwy s LEU 68 Ca -0.02 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 2jwy s LEU 68 Cb 0.00 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2jwy s LEU 68 CO -0.07 -0.26 -0.10 0.68 0.23 0.00 0.00 176.35 176.83 2jwy s VAL 69 N 1.63 1.51 -1.30 -1.59 -7.23 -0.74 -4.80 120.40 107.89 2jwy s VAL 69 Ca 0.04 -2.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.06 2jwy s VAL 69 Cb -0.18 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.65 2jwy s VAL 69 CO 0.08 -0.54 0.07 0.59 -0.31 0.00 0.00 175.10 174.99 2jwy n ASN 70 N -0.38 -4.58 -4.56 4.85 3.02 -1.26 -0.55 115.26 111.79 2jwy n ASN 70 Ca -0.08 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.15 2jwy n ASN 70 Cb 0.61 -3.84 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jwy n ILE 71 N -3.67 0.08 -4.30 2.41 5.41 -1.26 -4.39 119.36 113.64 2jwy n ILE 71 Ca -0.16 -0.64 -0.23 0.00 1.00 0.00 0.00 62.75 62.71 2jwy n ILE 71 Cb 0.63 -2.63 -0.13 0.00 -0.71 0.00 0.00 39.64 36.80 2jwy n ILE 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2jwy s THR 72 N 10.57 1.64 0.06 1.39 -4.23 0.10 -4.99 115.64 120.19 2jwy s THR 72 Ca 1.00 -1.48 -0.31 0.00 -1.18 0.00 0.00 61.69 59.72 2jwy s THR 72 Cb -0.28 -1.49 -0.06 0.00 1.34 0.00 0.00 72.50 72.01 2jwy s THR 72 CO 0.31 -0.05 1.25 -2.16 -0.54 0.00 0.00 174.62 173.43 2jwy s PRO 73 N -1.82 4.39 0.52 3.99 0.04 -1.26 0.53 135.00 141.39 2jwy s PRO 73 Ca 0.06 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2jwy s PRO 73 Cb -0.10 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2jwy s PRO 73 CO 0.04 -0.33 0.76 0.34 0.04 0.00 0.00 177.00 177.85 2jwy s ASP 74 N 1.17 5.54 0.46 6.66 2.15 0.59 -4.71 116.67 128.53 2jwy s ASP 74 Ca 0.60 0.26 0.13 0.00 0.43 0.00 0.00 52.55 53.97 2jwy s ASP 74 Cb -0.31 -1.31 1.07 0.00 -0.30 0.00 0.00 42.92 42.07 2jwy s ASP 74 CO 0.29 -0.97 2.06 0.00 -0.17 0.00 0.00 175.17 176.38 2jwy h ALA 75 N 0.13 1.93 -0.00 3.66 0.00 -1.98 -3.04 119.26 119.96 2jwy h ALA 75 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jwy h ALA 75 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jwy h ALA 75 CO 0.56 0.01 -0.21 -0.25 0.00 0.00 0.00 179.25 179.36 2jwy n ASP 76 N -4.48 0.25 0.00 0.00 8.00 -1.26 -5.08 116.55 113.97 2jwy n ASP 76 Ca 0.03 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2jwy n ASP 76 Cb 0.19 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 2jwy n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jwy n GLY 77 N 1.09 0.64 3.05 0.44 0.00 -1.15 -0.79 105.19 108.47 2jwy n GLY 77 Ca 0.01 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 2.14 -0.15 -0.32 2.61 2.01 0.74 -0.30 115.64 122.37 2jwy s THR 78 Ca 0.00 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.09 2jwy s THR 78 Cb 0.00 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.10 2jwy s THR 78 CO 0.00 0.08 0.15 0.42 -0.69 0.00 0.00 174.62 174.58 2jwy s THR 79 N 1.60 4.56 0.08 -0.82 -4.23 0.19 -0.29 115.64 116.72 2jwy s THR 79 Ca -0.06 -0.50 0.07 0.00 -1.18 0.00 0.00 61.69 60.02 2jwy s THR 79 Cb -0.11 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 2jwy s THR 79 CO -0.09 0.03 -0.19 -1.48 -0.54 0.00 0.00 174.62 172.35 2jwy s LEU 80 N 1.60 2.25 -0.48 4.79 0.05 -0.66 -0.72 118.68 125.52 2jwy s LEU 80 Ca 0.04 -0.61 -0.21 0.00 0.05 0.00 0.00 54.13 53.40 2jwy s LEU 80 Cb -0.17 -0.79 0.04 0.00 -2.05 0.00 0.00 46.19 43.22 2jwy s LEU 80 CO 0.06 0.05 0.67 -0.89 -0.55 0.00 0.00 176.35 175.69 2jwy s THR 81 N -1.07 4.79 -0.48 5.48 2.01 0.29 -0.21 115.64 126.44 2jwy s THR 81 Ca 0.04 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 2jwy s THR 81 Cb -0.09 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.17 2jwy s THR 81 CO 0.03 -0.73 0.85 -0.22 -0.69 0.00 0.00 174.62 173.85 2jwy s LEU 82 N 2.89 4.19 -0.23 4.42 1.98 0.44 -1.78 118.68 130.59 2jwy s LEU 82 Ca 0.21 -0.14 -0.17 0.00 -2.89 0.00 0.00 54.13 51.14 2jwy s LEU 82 Cb -0.16 -2.97 -0.03 0.00 0.66 0.00 0.00 46.19 43.69 2jwy s LEU 82 CO 0.17 -1.02 0.44 -0.13 -1.89 0.00 0.00 176.35 173.92 2jwy s ARG 83 N 3.52 4.12 -0.69 1.98 0.52 -0.85 -1.18 118.95 126.38 2jwy s ARG 83 Ca 0.31 0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.68 2jwy s ARG 83 Cb -0.12 -3.59 0.18 0.00 0.52 0.00 0.00 34.95 31.94 2jwy s ARG 83 CO 0.22 -0.17 0.56 0.42 0.02 0.00 0.00 175.30 176.35 2jwy s ILE 84 N 1.73 4.49 -0.20 1.52 1.09 0.21 -2.19 121.20 127.84 2jwy s ILE 84 Ca 0.20 -2.66 -0.22 0.00 -1.10 0.00 0.00 60.65 56.87 2jwy s ILE 84 Cb -0.15 -3.86 -0.02 0.00 -1.06 0.00 0.00 42.46 37.37 2jwy s ILE 84 CO 0.09 -0.93 0.68 -1.58 -0.10 0.00 0.00 174.94 173.10 2jwy s GLN 85 N 0.16 4.21 0.06 2.79 0.74 0.66 -0.59 119.66 127.70 2jwy s GLN 85 Ca 0.16 0.69 -0.30 0.00 0.05 0.00 0.00 55.36 55.96 2jwy s GLN 85 Cb -0.17 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.30 2jwy s GLN 85 CO -0.05 -0.30 1.03 0.20 -0.55 0.00 0.00 175.29 175.62 2jwy s GLY 86 N 1.24 2.83 0.09 2.59 0.00 -0.87 0.67 107.32 113.87 2jwy s GLY 86 Ca 0.30 0.64 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 2jwy s GLY 86 CO 0.10 1.69 1.43 -2.09 0.00 0.00 0.00 173.10 174.23 2jwy h GLU 87 N 6.25 0.63 -6.67 2.90 4.81 -1.36 -3.38 114.58 117.76 2jwy h GLU 87 Ca -0.42 -0.31 -0.56 0.00 -0.13 0.00 0.00 59.36 57.95 2jwy h GLU 87 Cb 1.22 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 2jwy h GLU 87 CO 0.75 0.90 0.96 -1.12 -0.73 0.00 0.00 179.01 179.77 2jwy s SER 88 N -6.39 6.55 0.00 1.04 0.01 -1.25 -4.91 113.70 108.74 2jwy s SER 88 Ca -0.13 0.42 0.18 0.00 1.31 0.00 0.00 55.95 57.73 2jwy s SER 88 Cb 0.08 -2.55 1.07 0.00 0.21 0.00 0.00 66.02 64.83 2jwy s SER 88 CO 0.81 -1.34 1.50 -0.46 0.41 0.00 0.00 173.24 174.16 2jwy n ASN 89 N 8.12 0.00 -4.81 2.44 0.23 -1.26 -4.72 115.26 115.27 2jwy n ASN 89 Ca 0.12 -0.77 -0.32 0.00 -0.53 0.00 0.00 54.58 53.07 2jwy n ASN 89 Cb 0.49 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.22 2jwy n ASN 89 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2jwy s ASP 90 N -1.89 5.55 -0.23 0.53 1.47 -1.26 -2.62 116.67 118.21 2jwy s ASP 90 Ca 0.27 1.75 -0.34 0.00 1.18 0.00 0.00 52.55 55.41 2jwy s ASP 90 Cb 0.12 -2.52 -0.10 0.00 -0.34 0.00 0.00 42.92 40.08 2jwy s ASP 90 CO 0.21 -1.33 2.06 -0.81 0.68 0.00 0.00 175.17 175.98 2jwy n PRO 91 N -2.52 1.65 -3.62 2.11 -0.04 -1.26 -4.46 135.00 126.87 2jwy n PRO 91 Ca 0.08 0.53 -0.35 0.00 -0.04 0.00 0.00 63.50 63.73 2jwy n PRO 91 Cb 0.53 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.28 2jwy n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jwy s LEU 92 N 6.14 4.35 0.87 1.53 1.43 0.36 -4.88 118.68 128.48 2jwy s LEU 92 Ca 1.01 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 2jwy s LEU 92 Cb -0.71 -2.93 0.12 0.00 0.03 0.00 0.00 46.19 42.70 2jwy s LEU 92 CO 0.48 0.19 1.14 -2.16 0.23 0.00 0.00 176.35 176.22 2jwy s PRO 93 N -1.90 1.45 0.49 1.29 0.04 -1.26 -0.15 135.00 134.96 2jwy s PRO 93 Ca 0.32 0.33 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 2jwy s PRO 93 Cb -0.14 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2jwy s PRO 93 CO 0.18 -1.99 1.15 0.00 0.04 0.00 0.00 177.00 176.37 2jwy s ALA 94 N -3.30 2.86 0.09 8.56 0.00 -1.26 -4.43 121.76 124.27 2jwy s ALA 94 Ca 0.63 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 2jwy s ALA 94 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2jwy s ALA 94 CO 0.53 -0.68 0.14 -0.59 0.00 0.00 0.00 175.76 175.15 2jwy s PHE 95 N -1.65 0.29 -0.00 0.00 -0.71 -0.95 -0.59 117.98 114.38 2jwy s PHE 95 Ca 0.67 -0.75 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 2jwy s PHE 95 Cb -0.26 -0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.38 2jwy s PHE 95 CO 0.31 -0.51 -0.03 -1.54 -1.34 0.00 0.00 175.22 172.11 2jwy s SER 96 N -2.89 0.36 0.25 1.98 1.04 0.19 -0.75 113.70 113.88 2jwy s SER 96 Ca 0.07 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.34 2jwy s SER 96 Cb 0.06 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2jwy s SER 96 CO -0.09 0.02 0.39 -0.83 0.98 0.00 0.00 173.24 173.70 2jwy s GLY 97 N -0.16 0.93 -0.14 7.32 0.00 -0.60 -1.61 107.32 113.05 2jwy s GLY 97 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 2jwy s GLY 97 CO -0.00 -0.89 0.07 -1.59 0.00 0.00 0.00 173.10 170.69 2jwy s THR 98 N -3.90 4.92 -0.17 0.90 2.01 0.83 0.00 115.64 120.22 2jwy s THR 98 Ca 0.28 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2jwy s THR 98 Cb 0.01 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.36 2jwy s THR 98 CO 0.12 0.54 -0.16 0.54 -0.69 0.00 0.00 174.62 174.96 2jwy s VAL 99 N -0.30 2.49 -0.54 3.82 0.11 0.38 -0.99 120.40 125.37 2jwy s VAL 99 Ca 0.09 -0.81 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 2jwy s VAL 99 Cb -0.12 -2.06 0.05 0.00 -1.53 0.00 0.00 36.38 32.72 2jwy s VAL 99 CO 0.01 0.51 0.80 -1.61 -3.33 0.00 0.00 175.10 171.48 2jwy s GLU 100 N 1.08 3.22 -0.23 1.54 0.41 0.91 -1.69 118.70 123.94 2jwy s GLU 100 Ca -0.00 -0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 53.93 2jwy s GLU 100 Cb -0.14 -4.09 0.01 0.00 -1.78 0.00 0.00 34.13 28.13 2jwy s GLU 100 CO -0.05 -1.39 -0.08 1.52 -0.49 0.00 0.00 175.26 174.77 2jwy s TYR 101 N 3.34 2.97 0.00 1.61 1.13 0.10 -0.52 117.35 125.98 2jwy s TYR 101 Ca 0.23 -1.36 0.00 0.00 -1.41 0.00 0.00 57.07 54.53 2jwy s TYR 101 Cb -0.16 -2.05 0.00 0.00 -1.10 0.00 0.00 41.96 38.65 2jwy s TYR 101 CO 0.15 -0.68 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 2jwy n GLY 102 N 4.70 3.02 3.42 5.49 0.00 -1.00 -0.84 105.19 119.99 2jwy n GLY 102 Ca -0.18 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 2.22 1.53 -0.14 1.61 -0.21 0.30 -0.22 119.66 124.75 2jwy s GLN 103 Ca 0.00 -1.61 0.01 0.00 0.02 0.00 0.00 55.36 53.78 2jwy s GLN 103 Cb 0.00 -1.69 0.02 0.00 1.00 0.00 0.00 33.01 32.34 2jwy s GLN 103 CO 0.00 0.34 -0.17 0.42 -2.12 0.00 0.00 175.29 173.76 2jwy s ILE 104 N -2.16 1.74 -0.74 1.08 1.01 -1.26 -1.01 121.20 119.84 2jwy s ILE 104 Ca 0.24 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 2jwy s ILE 104 Cb -0.06 -1.59 0.19 0.00 0.01 0.00 0.00 42.46 41.02 2jwy s ILE 104 CO 0.11 0.49 0.64 0.00 0.00 0.00 0.00 174.94 176.18 2jwy s GLN 105 N 1.22 3.21 0.00 2.79 -2.07 -0.55 -4.94 119.66 119.33 2jwy s GLN 105 Ca 0.00 -2.45 0.00 0.00 -1.82 0.00 0.00 55.36 51.09 2jwy s GLN 105 Cb -0.14 -4.18 0.00 0.00 -1.09 0.00 0.00 33.01 27.60 2jwy s GLN 105 CO -0.08 -1.25 0.00 0.41 -1.32 0.00 0.00 175.29 173.05 2jwy n GLY 106 N 3.86 -0.50 0.63 2.60 0.00 -1.26 -2.14 105.19 108.38 2jwy n GLY 106 Ca 0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 2jwy n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jwy n THR 107 N 8.83 0.00 -0.01 2.61 -2.24 0.42 -4.89 114.28 118.99 2jwy n THR 107 Ca 0.00 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2jwy n THR 107 Cb 0.00 0.09 0.33 0.00 -2.10 0.00 0.00 70.33 68.65 2jwy n THR 107 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jwy h ILE 108 N 1.05 1.17 0.01 2.28 1.08 -2.01 -3.30 117.51 117.78 2jwy h ILE 108 Ca -0.07 -0.61 -0.11 0.00 -0.39 0.00 0.00 64.86 63.68 2jwy h ILE 108 Cb 0.22 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2jwy h ILE 108 CO 0.12 0.22 -0.57 -0.78 -0.69 0.00 0.00 178.15 176.45 2jwy h ASP 109 N 0.53 0.03 -3.38 1.72 3.58 -2.02 -3.45 116.42 113.44 2jwy h ASP 109 Ca 0.12 -0.81 -0.58 0.00 0.42 0.00 0.00 57.03 56.19 2jwy h ASP 109 Cb 0.21 -0.01 -0.39 0.00 1.72 0.00 0.00 39.33 40.85 2jwy h ASP 109 CO -0.00 1.23 -0.76 0.54 -2.88 0.00 0.00 179.24 177.36 2jwy s ASN 110 N -6.52 3.76 0.06 2.28 4.22 -1.24 -5.12 114.94 112.38 2jwy s ASN 110 Ca -0.23 -1.34 -0.01 0.00 -2.14 0.00 0.00 52.86 49.14 2jwy s ASN 110 Cb 0.01 -0.96 -0.04 0.00 1.28 0.00 0.00 41.25 41.54 2jwy s ASN 110 CO 0.66 -0.33 -0.02 0.72 -2.04 0.00 0.00 177.10 176.09 2jwy s PHE 111 N 1.55 0.55 -0.02 1.54 -0.71 -1.25 -0.44 117.98 119.19 2jwy s PHE 111 Ca 0.02 -1.08 0.02 0.00 -1.04 0.00 0.00 56.93 54.85 2jwy s PHE 111 Cb -0.18 -0.40 0.01 0.00 -1.21 0.00 0.00 43.02 41.24 2jwy s PHE 111 CO -0.14 -0.39 -0.06 -0.65 -1.34 0.00 0.00 175.22 172.65 2jwy s GLN 112 N -3.93 0.70 -0.16 1.99 -0.21 -0.91 -4.95 119.66 112.19 2jwy s GLN 112 Ca 0.08 -0.18 -0.28 0.00 0.02 0.00 0.00 55.36 55.01 2jwy s GLN 112 Cb 0.08 -0.69 -0.01 0.00 1.00 0.00 0.00 33.01 33.39 2jwy s GLN 112 CO -0.09 0.03 0.97 -1.21 -2.12 0.00 0.00 175.29 172.87 2jwy s GLU 113 N 0.38 4.33 0.08 2.91 8.01 -1.26 -1.48 118.70 131.67 2jwy s GLU 113 Ca -0.05 1.28 0.03 0.00 0.01 0.00 0.00 54.97 56.24 2jwy s GLU 113 Cb -0.09 -3.58 -0.03 0.00 -4.31 0.00 0.00 34.13 26.11 2jwy s GLU 113 CO 0.00 -0.42 -0.09 0.96 0.01 0.00 0.00 175.26 175.72 2jwy s ILE 114 N 2.45 0.78 -1.51 -1.63 -4.36 -0.18 -4.86 121.20 111.88 2jwy s ILE 114 Ca 0.44 -1.54 -0.13 0.00 -0.26 0.00 0.00 60.65 59.16 2jwy s ILE 114 Cb -0.17 -1.22 0.08 0.00 1.25 0.00 0.00 42.46 42.41 2jwy s ILE 114 CO 0.13 -0.57 0.92 0.59 0.24 0.00 0.00 174.94 176.24 2jwy n ASN 115 N 0.70 -4.87 -4.68 4.36 3.02 -1.26 -0.54 115.26 111.99 2jwy n ASN 115 Ca -0.17 -0.70 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 2jwy n ASN 115 Cb 0.57 -3.90 -0.08 0.00 -0.61 0.00 0.00 39.78 35.77 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 -3.25 5.30 0.16 2.41 0.11 -1.26 -4.00 120.40 119.87 2jwy s VAL 116 Ca 0.62 0.41 0.09 0.00 -2.93 0.00 0.00 61.98 60.16 2jwy s VAL 116 Cb -0.31 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 2jwy s VAL 116 CO 0.76 0.33 -0.12 -1.10 -3.33 0.00 0.00 175.10 171.64 2jwy s GLN 117 N 1.01 1.99 -0.11 1.54 1.11 -0.02 -4.92 119.66 120.25 2jwy s GLN 117 Ca 0.13 -1.24 -0.01 0.00 0.01 0.00 0.00 55.36 54.25 2jwy s GLN 117 Cb -0.14 -2.15 -0.02 0.00 -1.01 0.00 0.00 33.01 29.69 2jwy s GLN 117 CO 0.05 0.45 -0.08 0.54 0.01 0.00 0.00 175.29 176.26 2jwy s ASN 118 N -2.63 4.48 0.07 5.90 2.20 -1.26 -0.72 114.94 122.99 2jwy s ASN 118 Ca 0.23 -0.16 0.06 0.00 -0.94 0.00 0.00 52.86 52.05 2jwy s ASN 118 Cb -0.09 -1.48 -0.03 0.00 -2.00 0.00 0.00 41.25 37.65 2jwy s ASN 118 CO 0.14 0.24 -0.16 -1.58 -2.94 0.00 0.00 177.10 172.80 2jwy s GLN 119 N -0.08 0.93 -0.28 3.55 0.74 -0.68 -4.94 119.66 118.89 2jwy s GLN 119 Ca 0.00 -0.98 -0.18 0.00 0.05 0.00 0.00 55.36 54.25 2jwy s GLN 119 Cb -0.13 -1.00 -0.02 0.00 1.10 0.00 0.00 33.01 32.95 2jwy s GLN 119 CO 0.03 0.23 0.54 -0.51 -0.55 0.00 0.00 175.29 175.03 2jwy s LEU 120 N -1.68 4.12 -0.63 3.68 1.43 -1.26 -0.47 118.68 123.86 2jwy s LEU 120 Ca 0.01 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 2jwy s LEU 120 Cb -0.10 -2.68 0.10 0.00 0.03 0.00 0.00 46.19 43.54 2jwy s LEU 120 CO 0.03 -0.36 0.80 0.27 0.23 0.00 0.00 176.35 177.31 2jwy s ILE 121 N 2.39 4.69 -0.34 -0.59 -4.36 0.10 -4.91 121.20 118.18 2jwy s ILE 121 Ca 0.22 -0.88 -0.12 0.00 -0.26 0.00 0.00 60.65 59.61 2jwy s ILE 121 Cb -0.15 -4.56 -0.01 0.00 1.25 0.00 0.00 42.46 38.99 2jwy s ILE 121 CO 0.10 -1.24 0.22 0.20 0.24 0.00 0.00 174.94 174.47 2jwy s ASN 122 N 3.62 5.91 0.06 4.36 -0.87 -1.26 -1.55 114.94 125.20 2jwy s ASN 122 Ca 0.15 -0.53 0.05 0.00 -1.57 0.00 0.00 52.86 50.96 2jwy s ASN 122 Cb -0.21 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 38.89 2jwy s ASN 122 CO 0.06 -0.26 -0.08 0.00 -2.57 0.00 0.00 177.10 174.26 2jwy s ALA 123 N 1.68 3.01 0.85 0.60 0.00 0.07 -5.01 121.76 122.97 2jwy s ALA 123 Ca 0.05 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 2jwy s ALA 123 Cb -0.18 -1.03 0.10 0.00 0.00 0.00 0.00 23.12 22.02 2jwy s ALA 123 CO 0.09 0.64 1.09 -1.25 0.00 0.00 0.00 175.76 176.33 2jwy s PRO 124 N -1.85 1.62 -0.03 0.00 0.04 -1.26 -2.24 135.00 131.29 2jwy s PRO 124 Ca 0.20 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 2jwy s PRO 124 Cb -0.11 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2jwy s PRO 124 CO 0.11 -1.97 1.24 0.00 0.04 0.00 0.00 177.00 176.42 2jwy s ALA 125 N -3.03 3.49 -1.21 8.56 0.00 -1.26 -4.43 121.76 123.89 2jwy s ALA 125 Ca 0.62 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 2jwy s ALA 125 Cb -0.16 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 19.62 2jwy s ALA 125 CO 0.56 -0.74 1.44 0.43 0.00 0.00 0.00 175.76 177.45 2jwy n SER 126 N 5.03 5.25 0.01 0.00 7.64 0.79 -4.79 113.62 127.55 2jwy n SER 126 Ca 0.11 -2.99 0.13 0.00 1.01 0.00 0.00 58.87 57.13 2jwy n SER 126 Cb 0.46 -1.55 0.55 0.00 -1.01 0.00 0.00 64.21 62.66 2jwy n SER 126 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2jwy n VAL 127 N 4.35 0.23 -4.09 0.44 3.14 -1.26 -0.49 118.33 120.65 2jwy n VAL 127 Ca 0.36 0.01 -0.34 0.00 -2.96 0.00 0.00 64.34 61.40 2jwy n VAL 127 Cb 0.42 -0.59 -0.10 0.00 -1.06 0.00 0.00 33.84 32.50 2jwy n VAL 127 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2jwy s LEU 128 N -3.21 3.70 -0.01 6.55 1.43 -1.26 -4.69 118.68 121.19 2jwy s LEU 128 Ca 0.12 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 2jwy s LEU 128 Cb 0.17 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 2jwy s LEU 128 CO 0.50 0.17 0.41 0.00 0.23 0.00 0.00 176.35 177.66 2jwy s ALA 129 N 0.37 3.68 0.47 4.21 0.00 -1.26 -3.44 121.76 125.79 2jwy s ALA 129 Ca 0.02 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 2jwy s ALA 129 Cb -0.13 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 2jwy s ALA 129 CO 0.01 0.45 1.08 -1.25 0.00 0.00 0.00 175.76 176.05 2jwy s PRO 130 N -0.98 3.79 -0.17 0.00 0.04 -1.26 -5.07 135.00 131.35 2jwy s PRO 130 Ca 0.24 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 2jwy s PRO 130 Cb -0.17 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2jwy s PRO 130 CO 0.13 -0.46 0.62 -1.54 0.04 0.00 0.00 177.00 175.79 2jwy s SER 131 N -1.74 6.73 -0.23 6.66 1.04 -1.08 -5.04 113.70 120.06 2jwy s SER 131 Ca 0.66 0.89 -0.27 0.00 0.48 0.00 0.00 55.95 57.71 2jwy s SER 131 Cb -0.21 -2.35 0.11 0.00 0.10 0.00 0.00 66.02 63.66 2jwy s SER 131 CO 0.25 -0.22 0.92 1.51 0.98 0.00 0.00 173.24 176.69 2jwy s ASP 132 N 1.07 -0.51 0.18 7.02 -4.77 -1.26 -2.05 116.67 116.34 2jwy s ASP 132 Ca 0.30 0.86 0.08 0.00 -3.30 0.00 0.00 52.55 50.49 2jwy s ASP 132 Cb -0.16 0.82 -0.04 0.00 -1.09 0.00 0.00 42.92 42.45 2jwy s ASP 132 CO 0.11 -0.27 -0.16 -0.69 0.70 0.00 0.00 175.17 174.87 2jwy s VAL 133 N -0.21 1.75 -0.20 2.11 1.01 0.24 -4.97 120.40 120.13 2jwy s VAL 133 Ca -0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 61.98 59.91 2jwy s VAL 133 Cb -0.03 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.54 2jwy s VAL 133 CO -0.01 -0.44 0.26 1.51 0.00 0.00 0.00 175.10 176.42 2jwy s ASP 134 N -2.93 0.94 0.01 3.32 1.47 -1.26 0.66 116.67 118.88 2jwy s ASP 134 Ca 0.18 0.03 0.07 0.00 1.18 0.00 0.00 52.55 54.00 2jwy s ASP 134 Cb -0.04 0.60 -0.03 0.00 -0.34 0.00 0.00 42.92 43.11 2jwy s ASP 134 CO 0.06 -0.30 -0.20 0.27 0.68 0.00 0.00 175.17 175.68 2jwy s ILE 135 N 2.39 2.60 0.01 2.11 -4.36 -0.33 -4.90 121.20 118.72 2jwy s ILE 135 Ca 0.07 -1.09 -0.29 0.00 -0.26 0.00 0.00 60.65 59.08 2jwy s ILE 135 Cb -0.15 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2jwy s ILE 135 CO -0.12 0.45 0.92 -2.16 0.24 0.00 0.00 174.94 174.28 2jwy s PRO 136 N -1.07 4.56 -0.31 0.37 0.05 -1.26 -0.42 135.00 136.93 2jwy s PRO 136 Ca 0.12 1.32 -0.05 0.00 0.05 0.00 0.00 61.00 62.45 2jwy s PRO 136 Cb -0.10 -3.44 0.03 0.00 0.05 0.00 0.00 34.50 31.04 2jwy s PRO 136 CO 0.02 0.02 0.05 -0.51 0.05 0.00 0.00 177.00 176.63 2jwy s LEU 137 N 0.77 3.94 -0.92 -3.56 1.43 0.70 -4.94 118.68 116.09 2jwy s LEU 137 Ca 0.48 -1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 2jwy s LEU 137 Cb -0.21 -1.80 0.15 0.00 0.03 0.00 0.00 46.19 44.36 2jwy s LEU 137 CO 0.27 -0.25 1.08 -1.58 0.23 0.00 0.00 176.35 176.09 2jwy s GLN 138 N 1.37 3.62 -0.46 1.70 0.74 -1.26 -1.65 119.66 123.73 2jwy s GLN 138 Ca -0.01 -1.92 -0.28 0.00 0.05 0.00 0.00 55.36 53.20 2jwy s GLN 138 Cb -0.19 -4.84 0.03 0.00 1.10 0.00 0.00 33.01 29.11 2jwy s GLN 138 CO 0.01 -1.69 1.06 -0.51 -0.55 0.00 0.00 175.29 173.61 2jwy s LEU 139 N 2.19 3.78 -0.10 3.68 1.43 0.60 -4.90 118.68 125.36 2jwy s LEU 139 Ca 0.31 0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 2jwy s LEU 139 Cb -0.06 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2jwy s LEU 139 CO -0.09 -1.15 0.20 -0.54 0.23 0.00 0.00 176.35 175.00 2jwy s LYS 140 N 4.15 3.61 0.00 1.70 1.02 -1.26 -0.19 119.74 128.77 2jwy s LYS 140 Ca 0.44 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.42 2jwy s LYS 140 Cb -0.09 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2jwy s LYS 140 CO 0.28 0.72 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 2jwy n GLY 141 N 2.07 0.40 2.83 -3.33 0.00 0.03 -4.92 105.19 102.27 2jwy n GLY 141 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.14 0.52 0.28 -0.61 2.07 -1.26 -4.99 121.20 115.07 2jwy s ILE 142 Ca 0.00 -0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.05 2jwy s ILE 142 Cb 0.00 -0.61 -0.09 0.00 0.13 0.00 0.00 42.46 41.89 2jwy s ILE 142 CO 0.00 0.26 0.74 -0.44 -1.91 0.00 0.00 174.94 173.59 2jwy s SER 143 N 1.54 6.91 0.20 4.50 0.01 -1.26 -2.85 113.70 122.75 2jwy s SER 143 Ca -0.01 1.37 -0.17 0.00 1.31 0.00 0.00 55.95 58.45 2jwy s SER 143 Cb -0.13 -2.40 0.18 0.00 0.21 0.00 0.00 66.02 63.87 2jwy s SER 143 CO -0.04 -0.11 1.62 1.62 0.41 0.00 0.00 173.24 176.75 2jwy h VAL 144 N 2.31 0.33 -0.81 3.43 3.04 -1.92 0.38 116.25 123.01 2jwy h VAL 144 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jwy h VAL 144 Cb 1.18 0.33 -0.04 0.00 -2.01 0.00 0.00 31.29 30.75 2jwy h VAL 144 CO 0.65 0.00 0.53 -0.78 -1.01 0.00 0.00 177.57 176.96 2jwy h ASP 145 N -0.07 0.94 -0.22 3.17 3.58 -1.97 -2.07 116.42 119.77 2jwy h ASP 145 Ca 0.26 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2jwy h ASP 145 Cb 0.48 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2jwy h ASP 145 CO -0.62 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 176.44 2jwy n GLN 146 N -4.40 1.62 -2.81 0.28 1.13 -0.02 -4.86 117.38 108.31 2jwy n GLN 146 Ca 0.09 -0.95 -0.42 0.00 -1.94 0.00 0.00 57.00 53.79 2jwy n GLN 146 Cb 0.04 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 2jwy n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jwy s LEU 147 N -1.24 4.27 -0.16 1.08 0.20 -0.36 -4.79 118.68 117.68 2jwy s LEU 147 Ca 0.24 1.41 -0.12 0.00 0.69 0.00 0.00 54.13 56.34 2jwy s LEU 147 Cb 0.13 -3.39 -0.06 0.00 -0.43 0.00 0.00 46.19 42.44 2jwy s LEU 147 CO 0.18 -0.33 -0.17 0.61 -0.29 0.00 0.00 176.35 176.34 2jwy n GLY 148 N 3.15 -0.84 3.17 7.98 0.00 0.69 -4.78 105.19 114.56 2jwy n GLY 148 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.40 -0.10 -0.39 1.61 -0.71 -0.57 -4.44 117.98 110.98 2jwy s PHE 149 Ca -0.20 0.15 0.01 0.00 -1.04 0.00 0.00 56.93 55.85 2jwy s PHE 149 Cb 0.03 0.04 0.11 0.00 -1.21 0.00 0.00 43.02 41.99 2jwy s PHE 149 CO 0.31 -0.32 0.14 0.08 -1.34 0.00 0.00 175.22 174.09 2jwy s VAL 150 N -1.18 2.77 -0.34 -2.49 1.01 0.40 -2.37 120.40 118.19 2jwy s VAL 150 Ca -0.13 -2.28 -0.11 0.00 0.00 0.00 0.00 61.98 59.46 2jwy s VAL 150 Cb -0.06 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2jwy s VAL 150 CO 0.03 -0.66 0.20 -0.60 0.00 0.00 0.00 175.10 174.07 2jwy s ARG 151 N 0.93 3.27 0.05 2.72 3.00 0.32 -0.37 118.95 128.88 2jwy s ARG 151 Ca 0.10 -0.78 -0.18 0.00 -1.00 0.00 0.00 55.73 53.87 2jwy s ARG 151 Cb -0.21 -3.71 -0.06 0.00 0.00 0.00 0.00 34.95 30.97 2jwy s ARG 151 CO -0.06 -0.50 0.52 0.42 0.00 0.00 0.00 175.30 175.67 2jwy s ILE 152 N 1.64 4.83 0.25 4.11 -1.09 -0.10 -0.06 121.20 130.79 2jwy s ILE 152 Ca 0.05 1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 59.35 2jwy s ILE 152 Cb -0.18 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 36.94 2jwy s ILE 152 CO 0.08 0.55 0.96 -1.38 -1.23 0.00 0.00 174.94 173.92 2jwy s HIS 153 N -1.11 0.10 -1.92 3.97 -3.43 -0.16 -1.62 115.29 111.11 2jwy s HIS 153 Ca 0.28 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 2jwy s HIS 153 Cb -0.18 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 2jwy s HIS 153 CO 0.17 -1.14 0.00 -0.25 -2.00 0.00 0.00 174.74 171.52 2jwy n ASP 154 N -1.33 -5.35 -4.56 7.38 8.00 -1.26 -0.12 116.55 119.32 2jwy n ASP 154 Ca -0.05 0.35 -0.26 0.00 0.71 0.00 0.00 54.79 55.54 2jwy n ASP 154 Cb 0.59 -4.49 -0.05 0.00 -0.02 0.00 0.00 41.12 37.16 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jwy s ILE 155 N -2.77 3.16 0.04 0.53 -1.09 -1.26 -4.16 121.20 115.65 2jwy s ILE 155 Ca 0.00 -0.05 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 2jwy s ILE 155 Cb 0.00 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.47 2jwy s ILE 155 CO 0.00 -0.37 -0.19 0.00 -1.23 0.00 0.00 174.94 173.15 2jwy s GLN 156 N 8.02 1.31 0.44 2.79 -2.07 -0.63 -2.76 119.66 126.75 2jwy s GLN 156 Ca 0.85 -0.89 -0.23 0.00 -1.82 0.00 0.00 55.36 53.26 2jwy s GLN 156 Cb -0.13 -1.40 -0.08 0.00 -1.09 0.00 0.00 33.01 30.32 2jwy s GLN 156 CO 0.13 0.36 1.14 -1.25 -1.32 0.00 0.00 175.29 174.34 2jwy s PRO 157 N -1.13 3.87 0.01 9.60 0.04 -1.26 -0.63 135.00 145.48 2jwy s PRO 157 Ca 0.06 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2jwy s PRO 157 Cb -0.09 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2jwy s PRO 157 CO 0.02 -0.44 0.12 0.14 0.04 0.00 0.00 177.00 176.87 2jwy s VAL 158 N -1.58 4.97 0.06 -0.36 -7.23 0.24 -4.82 120.40 111.69 2jwy s VAL 158 Ca 0.62 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 60.45 2jwy s VAL 158 Cb -0.27 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 2jwy s VAL 158 CO 0.33 0.31 -0.07 0.00 -0.31 0.00 0.00 175.10 175.36 2jwy s MET 159 N -1.91 0.61 0.15 4.82 0.23 -1.26 -4.59 119.30 117.34 2jwy s MET 159 Ca 0.26 -0.92 0.24 0.00 -1.03 0.00 0.00 55.69 54.24 2jwy s MET 159 Cb -0.12 -0.24 0.92 0.00 -1.53 0.00 0.00 34.83 33.85 2jwy s MET 159 CO 0.17 0.02 1.74 0.00 -2.03 0.00 0.00 175.02 174.93 2jwy n GLN 160 N 1.03 0.15 -2.74 3.16 10.64 -1.26 -4.79 117.38 123.56 2jwy n GLN 160 Ca -0.20 0.23 -0.34 0.00 -1.83 0.00 0.00 57.00 54.87 2jwy n GLN 160 Cb 0.56 -1.71 -0.06 0.00 -0.86 0.00 0.00 30.24 28.17 2jwy n GLN 160 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jwy s LEU 161 N -3.96 3.97 0.00 2.61 1.43 -1.26 -5.05 118.68 116.42 2jwy s LEU 161 Ca 0.09 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2jwy s LEU 161 Cb 0.12 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.87 2jwy s LEU 161 CO 0.48 -0.43 0.00 1.21 0.23 0.00 0.00 176.35 177.84 2jwy n GLU 162 N -0.55 0.00 -4.56 1.70 2.13 -1.26 -5.02 120.64 113.08 2jwy n GLU 162 Ca 0.07 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.67 2jwy n GLU 162 Cb 0.53 -0.34 -0.15 0.00 0.27 0.00 0.00 31.44 31.76 2jwy n GLU 162 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2jwy s HIS 163 N 0.00 1.23 0.39 4.31 -3.43 -1.26 -5.10 115.29 111.43 2jwy s HIS 163 Ca 0.00 -0.26 -0.22 0.00 -0.80 0.00 0.00 55.06 53.77 2jwy s HIS 163 Cb 0.00 -0.78 -0.11 0.00 -1.43 0.00 0.00 32.58 30.27 2jwy s HIS 163 CO 0.00 -0.01 0.94 -3.38 -2.00 0.00 0.00 174.74 170.29 2jwy s HIS 164 N -0.45 3.44 0.62 0.38 -3.43 -1.26 -5.09 115.29 109.50 2jwy s HIS 164 Ca 0.04 1.65 0.07 0.00 -0.80 0.00 0.00 55.06 56.02 2jwy s HIS 164 Cb -0.06 -2.86 0.10 0.00 -1.43 0.00 0.00 32.58 28.33 2jwy s HIS 164 CO -0.00 0.01 0.86 -1.01 -2.00 0.00 0.00 174.74 172.59 2jwy s HIS 165 N -1.98 1.40 -0.25 0.38 3.76 -1.26 -4.86 115.29 112.47 2jwy s HIS 165 Ca 0.58 -0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 54.85 2jwy s HIS 165 Cb -0.12 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.13 2jwy s HIS 165 CO 0.17 -1.35 0.10 0.72 -0.85 0.00 0.00 174.74 173.53 2jwy n HIS 166 N -2.43 -2.90 -2.69 1.40 8.25 -1.26 -5.05 115.22 110.54 2jwy n HIS 166 Ca 0.16 1.26 -0.02 0.00 -0.26 0.00 0.00 57.72 58.86 2jwy n HIS 166 Cb 0.61 -3.39 0.11 0.00 1.12 0.00 0.00 29.99 28.44 2jwy n HIS 166 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jwy n HIS 167 N 0.32 -1.30 -0.71 4.41 -0.00 -1.26 -5.32 115.22 111.36 2jwy n HIS 167 Ca 0.02 -1.77 0.00 0.00 -0.00 0.00 0.00 57.72 55.97 2jwy n HIS 167 Cb 0.08 1.15 0.00 0.00 -0.00 0.00 0.00 29.99 31.22 2jwy n HIS 167 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95