#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjv s ALA 0 N 0.00 3.18 0.15 5.41 0.00 -1.26 -4.90 121.76 124.34 2gjv s ALA 0 Ca 0.00 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2gjv s ALA 0 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2gjv s ALA 0 CO 0.00 -0.53 1.25 1.41 0.00 0.00 0.00 175.76 177.90 2gjv s MET 1 N -2.25 4.43 -0.36 0.00 1.75 -1.26 -5.00 119.30 116.61 2gjv s MET 1 Ca 0.56 1.92 -0.12 0.00 -1.25 0.00 0.00 55.69 56.80 2gjv s MET 1 Cb -0.31 -3.26 0.00 0.00 2.84 0.00 0.00 34.83 34.10 2gjv s MET 1 CO 0.39 -0.22 0.23 -1.21 -0.65 0.00 0.00 175.02 173.56 2gjv s GLU 2 N 0.33 3.22 0.32 4.11 2.02 -1.26 -4.98 118.70 122.46 2gjv s GLU 2 Ca 0.57 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.78 2gjv s GLU 2 Cb -0.33 -3.79 0.67 0.00 0.10 0.00 0.00 34.13 30.78 2gjv s GLU 2 CO 0.34 -0.55 1.86 1.15 0.02 0.00 0.00 175.26 178.07 2gjv h THR 3 N 5.62 0.89 -0.22 3.63 2.02 -1.97 -1.55 112.91 121.34 2gjv h THR 3 Ca -0.29 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 2gjv h THR 3 Cb 1.14 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2gjv h THR 3 CO 0.66 0.16 -0.34 0.25 0.37 0.00 0.00 175.52 176.62 2gjv h LEU 4 N 0.87 0.47 -0.76 2.58 5.85 -1.99 -2.67 115.31 119.65 2gjv h LEU 4 Ca 0.47 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2gjv h LEU 4 Cb 0.57 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2gjv h LEU 4 CO -0.23 0.78 0.29 0.28 -0.34 0.00 0.00 178.44 179.22 2gjv h SER 5 N 0.39 1.07 0.18 1.25 0.02 -1.71 0.11 113.55 114.85 2gjv h SER 5 Ca 0.05 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2gjv h SER 5 Cb 0.78 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2gjv h SER 5 CO 0.06 0.96 -0.09 0.58 -1.14 0.00 0.00 176.83 177.21 2gjv h VAL 6 N 1.11 0.81 -0.77 2.27 2.07 -1.26 -0.49 116.25 120.00 2gjv h VAL 6 Ca 0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.86 2gjv h VAL 6 Cb 0.24 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2gjv h VAL 6 CO -0.02 0.00 0.43 0.40 0.02 0.00 0.00 177.57 178.40 2gjv h ILE 7 N -0.25 0.91 -0.61 4.57 1.08 -1.23 -1.72 117.51 120.26 2gjv h ILE 7 Ca -0.02 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 2gjv h ILE 7 Cb 0.19 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 2gjv h ILE 7 CO 0.03 0.13 0.09 0.45 -0.69 0.00 0.00 178.15 178.17 2gjv h HIS 8 N 0.73 1.05 -0.06 1.37 3.86 -0.54 -0.90 115.15 120.66 2gjv h HIS 8 Ca 0.37 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2gjv h HIS 8 Cb 0.32 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 2gjv h HIS 8 CO -0.07 0.89 0.03 1.15 0.86 0.00 0.00 177.93 180.79 2gjv h THR 9 N 0.93 1.12 -0.07 2.45 2.02 -0.53 0.41 112.91 119.24 2gjv h THR 9 Ca 0.19 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.04 2gjv h THR 9 Cb 0.42 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2gjv h THR 9 CO 0.01 0.10 -0.05 0.58 0.37 0.00 0.00 175.52 176.53 2gjv h VAL 10 N -0.03 0.84 -0.41 3.16 2.07 -1.23 0.21 116.25 120.86 2gjv h VAL 10 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2gjv h VAL 10 Cb 0.13 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2gjv h VAL 10 CO -0.00 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.86 2gjv h ALA 11 N 1.00 0.52 -0.69 1.67 0.00 -1.07 -1.88 119.26 118.82 2gjv h ALA 11 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2gjv h ALA 11 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2gjv h ALA 11 CO -0.11 -0.02 0.14 -0.97 0.00 0.00 0.00 179.25 178.29 2gjv h ASN 12 N 0.56 1.07 -0.62 0.00 -0.73 -0.78 -2.01 115.58 113.07 2gjv h ASN 12 Ca 0.15 -0.25 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 2gjv h ASN 12 Cb -0.06 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.22 2gjv h ASN 12 CO -0.04 1.04 0.26 -0.09 -0.37 0.00 0.00 177.43 178.23 2gjv h ARG 13 N 1.05 0.93 -0.52 6.67 9.65 -0.70 -1.57 114.38 129.89 2gjv h ARG 13 Ca 0.21 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2gjv h ARG 13 Cb 0.40 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 2gjv h ARG 13 CO 0.01 0.78 0.34 -0.07 2.80 0.00 0.00 179.97 183.82 2gjv h LEU 14 N 0.87 0.61 -0.68 3.80 3.38 -1.21 -2.41 115.31 119.67 2gjv h LEU 14 Ca 0.21 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2gjv h LEU 14 Cb 0.19 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2gjv h LEU 14 CO -0.02 0.45 0.16 0.03 0.09 0.00 0.00 178.44 179.15 2gjv h ARG 15 N 0.71 1.08 -0.44 1.13 3.08 -1.01 -0.87 114.38 118.06 2gjv h ARG 15 Ca 0.19 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2gjv h ARG 15 Cb -0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2gjv h ARG 15 CO -0.04 0.97 0.04 0.93 -1.07 0.00 0.00 179.97 180.79 2gjv h GLU 16 N 1.01 0.75 0.00 0.04 5.08 -1.17 -3.11 114.58 117.18 2gjv h GLU 16 Ca 0.21 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2gjv h GLU 16 Cb 0.37 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2gjv h GLU 16 CO 0.00 0.80 -0.37 1.28 -1.00 0.00 0.00 179.01 179.73 2gjv n LEU 17 N -4.44 0.63 -3.26 1.33 4.77 -0.92 -4.44 117.00 110.66 2gjv n LEU 17 Ca -0.00 0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 2gjv n LEU 17 Cb 0.27 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2gjv n LEU 17 CO 0.40 -0.06 -0.21 0.59 -1.33 0.00 0.00 177.39 176.78 2gjv n ASN 18 N -2.00 0.97 0.21 -1.43 3.02 -0.34 -5.00 115.26 110.70 2gjv n ASN 18 Ca 0.05 -2.85 0.15 0.00 -0.03 0.00 0.00 54.58 51.90 2gjv n ASN 18 Cb 0.41 -0.64 0.74 0.00 -0.61 0.00 0.00 39.78 39.68 2gjv n ASN 18 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2gjv h PRO 19 N 4.14 0.00 -0.00 3.52 0.13 -1.76 -1.86 132.00 136.16 2gjv h PRO 19 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2gjv h PRO 19 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2gjv h PRO 19 CO 0.54 0.00 -0.50 -0.25 -0.23 0.00 0.00 178.00 177.56 2gjv n ASP 20 N -2.54 0.83 -4.85 1.44 8.00 -1.26 -4.90 116.55 113.26 2gjv n ASP 20 Ca -0.01 -0.63 -0.32 0.00 0.71 0.00 0.00 54.79 54.54 2gjv n ASP 20 Cb 0.10 0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 2gjv n ASP 20 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2gjv s MET 21 N -2.82 3.97 -0.44 -1.24 -1.94 -0.70 -4.44 119.30 111.69 2gjv s MET 21 Ca 0.15 0.70 -0.10 0.00 -1.71 0.00 0.00 55.69 54.73 2gjv s MET 21 Cb 0.18 -2.37 0.09 0.00 2.01 0.00 0.00 34.83 34.74 2gjv s MET 21 CO 0.66 0.06 0.30 0.34 -0.01 0.00 0.00 175.02 176.38 2gjv s ASP 22 N -2.52 5.71 -0.22 3.03 2.15 0.86 -4.99 116.67 120.69 2gjv s ASP 22 Ca 0.55 -1.63 -0.14 0.00 0.43 0.00 0.00 52.55 51.76 2gjv s ASP 22 Cb -0.10 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.46 2gjv s ASP 22 CO 0.21 -0.61 0.30 -0.63 -0.17 0.00 0.00 175.17 174.27 2gjv s ILE 23 N 1.43 5.26 0.08 4.11 -1.09 -1.26 -0.16 121.20 129.57 2gjv s ILE 23 Ca 0.04 0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.99 2gjv s ILE 23 Cb -0.24 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2gjv s ILE 23 CO 0.02 0.29 -0.15 -1.00 -1.23 0.00 0.00 174.94 172.86 2gjv s HIS 24 N 1.25 1.31 -0.39 3.97 3.76 0.70 -4.97 115.29 120.92 2gjv s HIS 24 Ca 0.14 -0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 2gjv s HIS 24 Cb -0.14 -0.73 0.10 0.00 1.11 0.00 0.00 32.58 32.92 2gjv s HIS 24 CO 0.07 0.08 0.17 0.42 -0.85 0.00 0.00 174.74 174.63 2gjv s ILE 25 N -1.25 3.19 0.26 0.60 1.01 -1.26 0.09 121.20 123.83 2gjv s ILE 25 Ca -0.01 -1.99 0.10 0.00 0.00 0.00 0.00 60.65 58.75 2gjv s ILE 25 Cb -0.10 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2gjv s ILE 25 CO 0.03 -0.61 -0.01 -0.55 0.00 0.00 0.00 174.94 173.79 2gjv s SER 26 N 1.68 4.51 0.09 3.58 0.15 -1.26 -5.01 113.70 117.45 2gjv s SER 26 Ca 0.07 -0.64 0.26 0.00 0.70 0.00 0.00 55.95 56.33 2gjv s SER 26 Cb -0.22 -0.83 0.70 0.00 -1.71 0.00 0.00 66.02 63.96 2gjv s SER 26 CO -0.04 0.01 1.60 -1.20 1.20 0.00 0.00 173.24 174.81 2gjv n SER 27 N -0.82 0.53 -4.80 5.45 7.64 -1.26 -4.87 113.62 115.50 2gjv n SER 27 Ca -0.07 0.25 -0.39 0.00 1.01 0.00 0.00 58.87 59.68 2gjv n SER 27 Cb 0.59 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2gjv n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gjv s THR 28 N -3.08 4.78 0.09 0.44 2.01 -1.26 -5.03 115.64 113.59 2gjv s THR 28 Ca 0.10 1.23 -0.31 0.00 0.31 0.00 0.00 61.69 63.03 2gjv s THR 28 Cb 0.15 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 2gjv s THR 28 CO 0.64 0.51 1.55 -0.62 -0.69 0.00 0.00 174.62 176.01 2gjv s ASP 29 N -0.83 6.67 0.00 3.53 2.15 -1.26 -4.84 116.67 122.09 2gjv s ASP 29 Ca 0.30 2.44 0.04 0.00 0.43 0.00 0.00 52.55 55.76 2gjv s ASP 29 Cb -0.19 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 40.04 2gjv s ASP 29 CO 0.19 -0.80 1.12 0.00 -0.17 0.00 0.00 175.17 175.50 2gjv n ALA 30 N 4.85 1.22 0.14 3.66 0.00 -1.26 -0.66 120.51 128.47 2gjv n ALA 30 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2gjv n ALA 30 Cb 0.41 -1.07 0.19 0.00 0.00 0.00 0.00 19.45 18.98 2gjv n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gjv h LYS 31 N 0.00 0.00 0.00 0.00 3.64 -1.97 -3.37 116.57 114.87 2gjv h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gjv h LYS 31 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2gjv h LYS 31 CO 0.00 0.58 -0.69 1.33 -2.27 0.00 0.00 179.45 178.40 2gjv n VAL 32 N -3.69 0.00 -1.58 2.00 0.24 0.16 -4.66 118.33 110.81 2gjv n VAL 32 Ca -0.01 -0.21 -0.47 0.00 -2.04 0.00 0.00 64.34 61.61 2gjv n VAL 32 Cb 0.61 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.63 2gjv n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gjv n TYR 33 N -1.36 1.21 -3.95 6.34 9.36 -0.32 -4.98 117.16 123.47 2gjv n TYR 33 Ca -0.00 0.70 -0.31 0.00 3.32 0.00 0.00 57.90 61.61 2gjv n TYR 33 Cb 0.05 -2.25 -0.15 0.00 -0.63 0.00 0.00 39.34 36.35 2gjv n TYR 33 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2gjv s ILE 34 N -0.63 1.77 0.62 2.97 1.01 -1.26 -5.01 121.20 120.67 2gjv s ILE 34 Ca 0.66 -1.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 2gjv s ILE 34 Cb -0.78 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2gjv s ILE 34 CO 0.56 -0.40 1.08 -2.84 0.00 0.00 0.00 174.94 173.34 2gjv s PRO 35 N 1.21 3.10 0.01 2.79 0.02 -1.26 -5.03 135.00 135.84 2gjv s PRO 35 Ca 0.03 1.26 -0.14 0.00 0.02 0.00 0.00 61.00 62.17 2gjv s PRO 35 Cb -0.19 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 2gjv s PRO 35 CO -0.10 -0.99 0.42 0.95 -0.33 0.00 0.00 177.00 176.94 2gjv s THR 36 N -2.44 5.02 0.00 0.99 -4.23 -1.26 -4.94 115.64 108.78 2gjv s THR 36 Ca 0.65 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.98 2gjv s THR 36 Cb -0.18 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2gjv s THR 36 CO 0.39 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.63 2gjv n GLY 37 N 1.72 -1.12 0.51 3.99 0.00 -1.26 -4.79 105.19 104.23 2gjv n GLY 37 Ca -0.13 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.34 2gjv n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gjv n GLN 38 N -1.34 1.87 -1.49 1.61 6.02 -1.26 -5.02 117.38 117.77 2gjv n GLN 38 Ca 0.00 -2.82 -0.30 0.00 -0.01 0.00 0.00 57.00 53.88 2gjv n GLN 38 Cb 0.00 -1.66 0.10 0.00 1.02 0.00 0.00 30.24 29.71 2gjv n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2gjv s GLN 39 N -2.95 1.81 -0.06 -1.09 -2.07 -1.26 -4.75 119.66 109.29 2gjv s GLN 39 Ca 0.37 0.62 -0.30 0.00 -1.82 0.00 0.00 55.36 54.23 2gjv s GLN 39 Cb 0.32 -1.89 -0.04 0.00 -1.09 0.00 0.00 33.01 30.31 2gjv s GLN 39 CO 0.03 -1.81 1.43 0.08 -1.32 0.00 0.00 175.29 173.71 2gjv s VAL 40 N -3.13 3.83 -0.08 3.63 1.01 -1.26 -4.84 120.40 119.56 2gjv s VAL 40 Ca 0.62 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.71 2gjv s VAL 40 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2gjv s VAL 40 CO 0.55 -0.05 -0.06 -0.89 0.00 0.00 0.00 175.10 174.64 2gjv s THR 41 N 3.12 3.77 -0.09 3.92 2.01 -1.04 -0.10 115.64 127.24 2gjv s THR 41 Ca 0.64 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2gjv s THR 41 Cb -0.29 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.68 2gjv s THR 41 CO 0.24 0.59 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.00 2gjv s VAL 42 N -0.65 0.88 -0.21 3.82 1.01 0.78 -0.73 120.40 125.30 2gjv s VAL 42 Ca 0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2gjv s VAL 42 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2gjv s VAL 42 CO 0.02 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.74 2gjv s LEU 43 N 1.39 3.59 -0.15 3.92 1.43 -0.45 -0.22 118.68 128.20 2gjv s LEU 43 Ca -0.02 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2gjv s LEU 43 Cb -0.13 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2gjv s LEU 43 CO -0.04 0.09 0.13 -0.63 0.23 0.00 0.00 176.35 176.13 2gjv s ILE 44 N 0.88 5.43 -0.05 -0.59 -1.09 0.11 -1.08 121.20 124.81 2gjv s ILE 44 Ca 0.03 0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.59 2gjv s ILE 44 Cb -0.14 -3.40 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2gjv s ILE 44 CO 0.02 0.56 0.14 -2.28 -1.23 0.00 0.00 174.94 172.15 2gjv s HIS 45 N -0.52 -0.15 -0.36 3.97 5.65 -0.58 -4.08 115.29 119.22 2gjv s HIS 45 Ca 0.12 0.36 -0.20 0.00 0.25 0.00 0.00 55.06 55.60 2gjv s HIS 45 Cb -0.12 0.05 0.00 0.00 -1.18 0.00 0.00 32.58 31.34 2gjv s HIS 45 CO 0.02 -0.07 0.59 -0.47 -0.65 0.00 0.00 174.74 174.15 2gjv s TYR 46 N 0.06 3.16 0.04 3.88 5.04 -1.26 -1.00 117.35 127.26 2gjv s TYR 46 Ca -0.00 0.26 -0.11 0.00 -2.44 0.00 0.00 57.07 54.78 2gjv s TYR 46 Cb -0.01 -3.07 -0.33 0.00 0.35 0.00 0.00 41.96 38.90 2gjv s TYR 46 CO 0.00 -0.61 1.01 0.00 -1.34 0.00 0.00 175.55 174.61 2gjv n GLY 48 N 1.67 -0.08 3.19 0.00 0.00 -1.18 -4.99 105.19 103.79 2gjv n GLY 48 Ca -0.15 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2gjv n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gjv s SER 49 N -2.10 1.19 -0.03 1.61 0.01 -1.26 -0.48 113.70 112.64 2gjv s SER 49 Ca 0.00 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.27 2gjv s SER 49 Cb 0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 2gjv s SER 49 CO 0.00 -0.48 -0.19 -0.69 0.41 0.00 0.00 173.24 172.29 2gjv s VAL 50 N -3.61 1.53 -0.14 3.43 1.01 -0.44 -4.97 120.40 117.20 2gjv s VAL 50 Ca 0.15 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2gjv s VAL 50 Cb 0.05 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2gjv s VAL 50 CO -0.03 0.43 -0.15 -0.36 0.00 0.00 0.00 175.10 175.00 2gjv s PHE 51 N -0.20 2.78 0.50 5.22 0.40 -1.26 -0.70 117.98 124.72 2gjv s PHE 51 Ca 0.01 -0.83 -0.17 0.00 -0.60 0.00 0.00 56.93 55.33 2gjv s PHE 51 Cb -0.10 -1.86 -0.08 0.00 0.51 0.00 0.00 43.02 41.49 2gjv s PHE 51 CO 0.01 -0.34 0.98 0.00 0.70 0.00 0.00 175.22 176.57 2gjv s ALA 52 N 0.55 3.06 0.61 5.36 0.00 -0.23 -4.96 121.76 126.16 2gjv s ALA 52 Ca -0.09 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 2gjv s ALA 52 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2gjv s ALA 52 CO 0.04 -0.17 1.23 -1.21 0.00 0.00 0.00 175.76 175.65 2gjv s GLU 53 N -3.91 2.81 0.45 0.00 2.02 -1.26 -4.15 118.70 114.67 2gjv s GLU 53 Ca 0.59 1.90 -0.25 0.00 0.02 0.00 0.00 54.97 57.23 2gjv s GLU 53 Cb -0.10 -1.90 -0.08 0.00 0.10 0.00 0.00 34.13 32.15 2gjv s GLU 53 CO 0.28 -1.35 1.43 -2.14 0.02 0.00 0.00 175.26 173.50 2gjv s PRO 54 N -3.37 3.66 0.00 0.39 0.02 -1.26 -4.77 135.00 129.68 2gjv s PRO 54 Ca 0.79 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.24 2gjv s PRO 54 Cb -0.32 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.55 2gjv s PRO 54 CO 0.36 -0.84 0.09 0.39 -0.33 0.00 0.00 177.00 176.66 2gjv n GLU 55 N -0.22 0.17 -3.17 5.54 1.02 -1.26 -4.66 120.64 118.05 2gjv n GLU 55 Ca 0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 2gjv n GLU 55 Cb 0.42 -1.10 0.07 0.00 -0.02 0.00 0.00 31.44 30.81 2gjv n GLU 55 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2gjv n ASN 56 N 0.44 -2.13 -4.49 1.62 2.85 -1.26 -5.05 115.26 107.24 2gjv n ASN 56 Ca 0.00 -0.51 -0.24 0.00 -0.11 0.00 0.00 54.58 53.72 2gjv n ASN 56 Cb 0.04 -4.32 -0.10 0.00 1.24 0.00 0.00 39.78 36.64 2gjv n ASN 56 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2gjv s THR 57 N -3.30 1.36 -1.66 -0.44 -4.23 -1.26 -5.04 115.64 101.07 2gjv s THR 57 Ca 0.01 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 2gjv s THR 57 Cb -0.00 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 71.12 2gjv s THR 57 CO 0.60 0.00 0.82 0.47 -0.54 0.00 0.00 174.62 175.98 2gjv n ASP 58 N -0.82 0.00 -4.23 3.99 8.00 -1.26 -4.68 116.55 117.55 2gjv n ASP 58 Ca -0.04 0.10 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 2gjv n ASP 58 Cb 0.67 -0.17 -0.16 0.00 -0.02 0.00 0.00 41.12 41.44 2gjv n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gjv s ALA 59 N -2.34 1.76 -1.05 2.24 0.00 -1.26 -5.06 121.76 116.05 2gjv s ALA 59 Ca 0.04 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 2gjv s ALA 59 Cb 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.76 2gjv s ALA 59 CO 0.04 0.43 1.45 0.99 0.00 0.00 0.00 175.76 178.68 2gjv s THR 60 N -0.50 4.02 -0.16 0.00 2.01 -1.26 -4.82 115.64 114.93 2gjv s THR 60 Ca 0.08 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2gjv s THR 60 Cb -0.08 -5.05 0.02 0.00 0.01 0.00 0.00 72.50 67.40 2gjv s THR 60 CO -0.01 -1.91 -0.19 -0.69 -0.69 0.00 0.00 174.62 171.14 2gjv s VAL 61 N 4.66 1.91 -0.08 3.82 1.01 -1.26 -1.89 120.40 128.57 2gjv s VAL 61 Ca 0.46 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2gjv s VAL 61 Cb 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2gjv s VAL 61 CO -0.08 0.52 -0.17 -1.10 0.00 0.00 0.00 175.10 174.27 2gjv s GLN 62 N 1.28 2.22 0.19 2.72 -0.21 -0.35 -4.05 119.66 121.46 2gjv s GLN 62 Ca 0.03 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 2gjv s GLN 62 Cb -0.13 -1.75 -0.08 0.00 1.00 0.00 0.00 33.01 32.04 2gjv s GLN 62 CO -0.11 0.09 1.19 0.15 -2.12 0.00 0.00 175.29 174.50 2gjv s LYS 63 N 0.52 4.50 -0.17 2.91 1.02 -1.26 -0.56 119.74 126.69 2gjv s LYS 63 Ca -0.16 1.87 0.01 0.00 0.02 0.00 0.00 55.97 57.71 2gjv s LYS 63 Cb -0.17 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2gjv s LYS 63 CO 0.06 -0.07 -0.20 -1.14 -0.92 0.00 0.00 175.35 173.07 2gjv s GLN 64 N -0.31 2.99 -0.38 1.68 0.74 0.10 -1.07 119.66 123.42 2gjv s GLN 64 Ca 0.52 -0.83 -0.15 0.00 0.05 0.00 0.00 55.36 54.95 2gjv s GLN 64 Cb -0.33 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.24 2gjv s GLN 64 CO 0.37 -0.18 0.31 -1.17 -0.55 0.00 0.00 175.29 174.07 2gjv s LEU 65 N 1.22 4.81 -0.14 3.68 2.96 0.13 -1.67 118.68 129.68 2gjv s LEU 65 Ca 0.03 -0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 53.15 2gjv s LEU 65 Cb -0.13 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 2gjv s LEU 65 CO -0.11 -0.39 0.36 -0.63 -1.32 0.00 0.00 176.35 174.25 2gjv s ILE 66 N 1.81 5.25 -0.16 6.68 1.01 -0.02 -1.33 121.20 134.45 2gjv s ILE 66 Ca 0.07 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 2gjv s ILE 66 Cb -0.18 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2gjv s ILE 66 CO 0.11 0.38 -0.04 -0.13 0.00 0.00 0.00 174.94 175.26 2gjv s ARG 67 N 0.41 3.64 -0.03 2.79 0.52 0.37 -1.11 118.95 125.55 2gjv s ARG 67 Ca 0.20 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2gjv s ARG 67 Cb -0.14 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.44 2gjv s ARG 67 CO 0.06 0.22 -0.05 0.42 0.02 0.00 0.00 175.30 175.98 2gjv s ILE 68 N 0.41 0.51 0.17 1.52 1.01 -0.78 -0.68 121.20 123.36 2gjv s ILE 68 Ca -0.04 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.51 2gjv s ILE 68 Cb -0.14 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 2gjv s ILE 68 CO 0.03 0.19 -0.03 -0.94 0.00 0.00 0.00 174.94 174.19 2gjv s SER 69 N 0.47 4.60 -0.17 3.58 1.04 -0.17 -1.06 113.70 121.99 2gjv s SER 69 Ca -0.06 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 2gjv s SER 69 Cb -0.10 -0.92 0.05 0.00 0.10 0.00 0.00 66.02 65.16 2gjv s SER 69 CO -0.00 0.10 0.01 0.00 0.98 0.00 0.00 173.24 174.32 2gjv s ALA 70 N -1.71 1.13 -0.19 5.32 0.00 -0.67 -1.53 121.76 124.12 2gjv s ALA 70 Ca 0.26 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2gjv s ALA 70 Cb -0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2gjv s ALA 70 CO 0.17 -0.98 -0.05 0.99 0.00 0.00 0.00 175.76 175.89 2gjv s THR 71 N 1.79 3.45 0.04 0.00 2.01 -0.24 -0.64 115.64 122.05 2gjv s THR 71 Ca -0.00 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 2gjv s THR 71 Cb -0.16 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 2gjv s THR 71 CO -0.07 0.46 0.75 0.68 -0.69 0.00 0.00 174.62 175.74 2gjv s VAL 72 N 1.02 4.76 -0.29 3.82 -7.23 -0.03 -1.34 120.40 121.11 2gjv s VAL 72 Ca 0.00 1.60 0.01 0.00 -1.81 0.00 0.00 61.98 61.78 2gjv s VAL 72 Cb -0.15 -4.10 0.08 0.00 0.56 0.00 0.00 36.38 32.78 2gjv s VAL 72 CO 0.00 0.36 0.03 -0.63 -0.31 0.00 0.00 175.10 174.55 2gjv s ILE 73 N -0.02 1.48 -0.00 -0.62 1.01 0.09 -2.34 121.20 120.80 2gjv s ILE 73 Ca 0.38 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.47 2gjv s ILE 73 Cb -0.20 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2gjv s ILE 73 CO 0.22 -0.43 -0.00 -0.69 0.00 0.00 0.00 174.94 174.04 2gjv s VAL 74 N 1.35 0.05 0.10 2.92 1.01 -0.47 -2.48 120.40 122.88 2gjv s VAL 74 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 2gjv s VAL 74 Cb -0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 36.38 36.03 2gjv s VAL 74 CO -0.13 0.03 1.63 -0.65 0.00 0.00 0.00 175.10 175.98 2gjv h PRO 75 N 6.26 -0.53 -5.87 2.72 0.11 -1.85 0.85 132.00 133.70 2gjv h PRO 75 Ca -0.27 0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.30 2gjv h PRO 75 Cb 1.20 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.36 2gjv h PRO 75 CO 0.51 -0.35 -0.12 -0.65 -0.21 0.00 0.00 178.00 177.17 2gjv s GLN 76 N -6.05 4.26 0.25 1.05 -0.21 -1.26 -3.87 119.66 113.83 2gjv s GLN 76 Ca -0.16 0.51 -0.04 0.00 0.02 0.00 0.00 55.36 55.70 2gjv s GLN 76 Cb 0.07 -3.37 0.48 0.00 1.00 0.00 0.00 33.01 31.18 2gjv s GLN 76 CO 0.64 0.30 1.73 0.97 -2.12 0.00 0.00 175.29 176.81 2gjv h ILE 77 N 4.39 0.64 -0.08 1.08 6.09 -1.96 -1.55 117.51 126.12 2gjv h ILE 77 Ca -0.44 -0.15 -0.09 0.00 -1.37 0.00 0.00 64.86 62.81 2gjv h ILE 77 Cb 1.19 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 2gjv h ILE 77 CO 0.72 0.08 -0.37 0.77 -3.07 0.00 0.00 178.15 176.28 2gjv h SER 78 N 0.44 0.16 0.86 2.19 4.64 -1.97 -1.96 113.55 117.91 2gjv h SER 78 Ca 0.43 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.55 2gjv h SER 78 Cb 0.66 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 2gjv h SER 78 CO -0.42 0.52 -0.64 0.44 -0.87 0.00 0.00 176.83 175.87 2gjv h ASP 79 N 0.14 0.00 -0.45 4.97 3.32 -1.73 -2.33 116.42 120.34 2gjv h ASP 79 Ca 0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2gjv h ASP 79 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2gjv h ASP 79 CO 0.05 0.64 -0.27 0.00 -1.72 0.00 0.00 179.24 177.94 2gjv h ALA 80 N 1.36 0.66 -0.11 3.45 0.00 -0.62 -2.31 119.26 121.69 2gjv h ALA 80 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2gjv h ALA 80 Cb 1.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gjv h ALA 80 CO 0.08 0.68 -0.13 0.82 0.00 0.00 0.00 179.25 180.70 2gjv h ILE 81 N 0.83 1.36 -0.98 0.00 2.04 -1.36 -1.98 117.51 117.42 2gjv h ILE 81 Ca 0.10 -1.30 0.09 0.00 1.00 0.00 0.00 64.86 64.75 2gjv h ILE 81 Cb 0.85 1.96 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 2gjv h ILE 81 CO 0.08 0.37 0.63 0.78 0.00 0.00 0.00 178.15 180.01 2gjv h ASN 82 N -0.11 0.95 -0.03 1.72 2.35 -1.45 -1.64 115.58 117.35 2gjv h ASN 82 Ca 0.02 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 2gjv h ASN 82 Cb 0.66 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2gjv h ASN 82 CO 0.03 0.56 -0.33 0.00 -1.65 0.00 0.00 177.43 176.04 2gjv h ALA 83 N 1.51 0.99 -0.44 -0.83 0.00 -1.36 -2.11 119.26 117.03 2gjv h ALA 83 Ca 0.46 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2gjv h ALA 83 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2gjv h ALA 83 CO -0.21 0.60 -0.02 1.25 0.00 0.00 0.00 179.25 180.87 2gjv h LEU 84 N 0.43 0.77 -1.02 0.00 5.85 -0.67 -1.29 115.31 119.39 2gjv h LEU 84 Ca 0.05 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2gjv h LEU 84 Cb 0.78 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 2gjv h LEU 84 CO 0.06 0.90 0.66 0.44 -0.34 0.00 0.00 178.44 180.17 2gjv h ASP 85 N 0.62 1.13 -0.87 1.25 5.19 -1.16 -2.25 116.42 120.34 2gjv h ASP 85 Ca 0.12 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2gjv h ASP 85 Cb 0.52 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 2gjv h ASP 85 CO 0.03 0.80 0.46 0.03 -3.12 0.00 0.00 179.24 177.44 2gjv h ARG 86 N 1.32 1.22 -0.34 3.56 2.47 -0.90 -2.27 114.38 119.44 2gjv h ARG 86 Ca 0.38 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.88 2gjv h ARG 86 Cb -0.10 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 27.98 2gjv h ARG 86 CO -0.10 0.90 -0.05 -0.07 0.56 0.00 0.00 179.97 181.21 2gjv h LEU 87 N 1.21 0.64 -0.91 3.04 3.38 -0.88 -1.93 115.31 119.86 2gjv h LEU 87 Ca 0.30 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2gjv h LEU 87 Cb 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2gjv h LEU 87 CO -0.05 0.83 0.46 0.08 0.09 0.00 0.00 178.44 179.85 2gjv h ARG 88 N 0.43 1.23 -0.03 1.13 0.11 -1.28 0.90 114.38 116.87 2gjv h ARG 88 Ca 0.09 -0.16 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 2gjv h ARG 88 Cb 0.54 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2gjv h ARG 88 CO 0.03 0.92 -0.56 -0.09 0.10 0.00 0.00 179.97 180.37 2gjv h ARG 89 N 1.23 0.10 0.07 0.08 2.43 -1.33 -1.10 114.38 115.86 2gjv h ARG 89 Ca 0.30 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 59.15 2gjv h ARG 89 Cb 0.06 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2gjv h ARG 89 CO -0.05 0.63 -1.10 0.77 -1.51 0.00 0.00 179.97 178.72 2gjv h SER 90 N 0.08 0.58 0.00 -3.80 0.02 -0.88 -3.40 113.55 106.15 2gjv h SER 90 Ca -0.00 -0.52 -0.30 0.00 -0.84 0.00 0.00 61.79 60.12 2gjv h SER 90 Cb 1.01 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 2gjv h SER 90 CO 0.08 1.35 -2.14 0.18 -1.14 0.00 0.00 176.83 175.16 2gjv n LEU 91 N -3.69 1.16 -4.67 5.07 4.77 0.27 -4.85 117.00 115.05 2gjv n LEU 91 Ca -0.09 -0.04 -0.48 0.00 -0.03 0.00 0.00 56.01 55.36 2gjv n LEU 91 Cb 0.93 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.93 2gjv n LEU 91 CO 0.54 0.58 1.35 0.61 -1.33 0.00 0.00 177.39 179.13 2gjv n GLY 92 N 2.20 1.25 2.35 -0.72 0.00 -0.42 -2.27 105.19 107.57 2gjv n GLY 92 Ca -0.30 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2gjv n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gjv n GLY 93 N 3.95 1.13 3.78 -0.02 0.00 0.13 -4.97 105.19 109.19 2gjv n GLY 93 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2gjv n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gjv s ILE 94 N -3.44 3.37 0.17 -0.61 -4.36 -0.96 -4.42 121.20 110.95 2gjv s ILE 94 Ca 0.00 0.74 -0.26 0.00 -0.26 0.00 0.00 60.65 60.86 2gjv s ILE 94 Cb 0.00 -3.26 -0.08 0.00 1.25 0.00 0.00 42.46 40.37 2gjv s ILE 94 CO 0.00 -0.30 0.82 -1.61 0.24 0.00 0.00 174.94 174.09 2gjv s GLU 95 N -3.70 4.64 -0.02 0.37 0.41 -1.26 -0.38 118.70 118.75 2gjv s GLU 95 Ca 0.68 1.24 0.08 0.00 -0.41 0.00 0.00 54.97 56.56 2gjv s GLU 95 Cb -0.20 -3.28 -0.02 0.00 -1.78 0.00 0.00 34.13 28.85 2gjv s GLU 95 CO 0.33 0.53 -0.26 -0.51 -0.49 0.00 0.00 175.26 174.87 2gjv s LEU 96 N -1.06 2.07 0.12 1.80 1.43 -1.26 -4.95 118.68 116.83 2gjv s LEU 96 Ca 0.37 -0.47 -0.33 0.00 -1.03 0.00 0.00 54.13 52.68 2gjv s LEU 96 Cb -0.24 -1.35 -0.12 0.00 0.03 0.00 0.00 46.19 44.51 2gjv s LEU 96 CO 0.27 0.31 1.71 -0.81 0.23 0.00 0.00 176.35 178.07 2gjv n PRO 97 N 2.49 2.43 -1.28 1.29 -0.04 -1.26 -2.25 135.00 136.38 2gjv n PRO 97 Ca -0.16 0.88 -0.10 0.00 -0.04 0.00 0.00 63.50 64.08 2gjv n PRO 97 Cb 0.51 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.23 2gjv n PRO 97 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gjv n ASP 98 N 4.52 -4.94 -4.89 3.54 8.00 -1.26 -4.79 116.55 116.73 2gjv n ASP 98 Ca 0.18 0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.58 2gjv n ASP 98 Cb 0.32 -3.29 -0.05 0.00 -0.02 0.00 0.00 41.12 38.08 2gjv n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gjv n ASP 100 N 0.73 1.03 -3.77 0.00 5.68 -0.53 -4.87 116.55 114.82 2gjv n ASP 100 Ca -0.08 -1.39 -0.07 0.00 -0.50 0.00 0.00 54.79 52.75 2gjv n ASP 100 Cb 0.52 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 2gjv n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gjv s ARG 101 N -1.97 1.61 0.96 0.11 1.70 -1.26 -5.08 118.95 115.01 2gjv s ARG 101 Ca 0.39 -0.85 -0.12 0.00 -0.47 0.00 0.00 55.73 54.69 2gjv s ARG 101 Cb 0.20 0.57 0.16 0.00 -0.57 0.00 0.00 34.95 35.32 2gjv s ARG 101 CO 0.33 -0.73 1.09 -2.14 -1.08 0.00 0.00 175.30 172.76 2gjv s PRO 102 N -3.79 0.75 0.19 3.89 0.02 -1.26 -4.61 135.00 130.20 2gjv s PRO 102 Ca 0.09 0.78 -0.30 0.00 0.02 0.00 0.00 61.00 61.59 2gjv s PRO 102 Cb -0.04 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 2gjv s PRO 102 CO 0.03 -2.58 1.35 -1.17 -0.33 0.00 0.00 177.00 174.30 2gjv s LEU 103 N -6.43 4.40 -0.04 -5.54 0.20 0.49 -4.78 118.68 106.98 2gjv s LEU 103 Ca 0.65 2.43 0.05 0.00 0.69 0.00 0.00 54.13 57.95 2gjv s LEU 103 Cb -0.19 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 41.94 2gjv s LEU 103 CO 0.58 -0.58 -0.18 0.26 -0.29 0.00 0.00 176.35 176.14 2gjv s TRP 104 N 0.27 2.58 0.31 5.38 0.52 -0.55 -0.69 118.94 126.77 2gjv s TRP 104 Ca 0.59 -0.27 -0.27 0.00 0.02 0.00 0.00 56.10 56.17 2gjv s TRP 104 Cb -0.37 -1.59 -0.10 0.00 -1.15 0.00 0.00 33.47 30.26 2gjv s TRP 104 CO 0.38 0.10 0.96 -0.51 0.02 0.00 0.00 176.95 177.90 2gjv s LEU 105 N -0.66 4.38 -0.05 2.99 1.43 -1.26 -0.48 118.68 125.03 2gjv s LEU 105 Ca 0.10 1.89 -0.02 0.00 -1.03 0.00 0.00 54.13 55.07 2gjv s LEU 105 Cb -0.11 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 2gjv s LEU 105 CO 0.00 -0.07 -0.06 1.21 0.23 0.00 0.00 176.35 177.66 2gjv n GLU 106 N 0.68 0.10 -3.59 1.70 2.13 0.53 -4.80 120.64 117.40 2gjv n GLU 106 Ca 0.01 0.05 -0.07 0.00 0.66 0.00 0.00 57.16 57.81 2gjv n GLU 106 Cb 0.49 -0.68 -0.02 0.00 0.27 0.00 0.00 31.44 31.50 2gjv n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2gjv s SER 107 N -5.42 -0.33 -0.04 4.31 1.04 -0.94 -4.98 113.70 107.34 2gjv s SER 107 Ca -0.07 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.25 2gjv s SER 107 Cb 0.03 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 2gjv s SER 107 CO 0.09 -0.79 -0.17 -1.61 0.98 0.00 0.00 173.24 171.74 2gjv s GLU 108 N -3.29 1.66 -0.09 4.02 2.02 -1.26 0.94 118.70 122.71 2gjv s GLU 108 Ca 0.07 -0.59 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 2gjv s GLU 108 Cb -0.01 -1.48 0.03 0.00 0.10 0.00 0.00 34.13 32.77 2gjv s GLU 108 CO -0.05 0.26 0.22 0.21 0.02 0.00 0.00 175.26 175.92 2gjv s LYS 109 N -0.04 0.23 -0.18 1.61 2.20 -0.33 -4.98 119.74 118.24 2gjv s LYS 109 Ca -0.02 0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 2gjv s LYS 109 Cb -0.10 0.04 -0.00 0.00 -1.51 0.00 0.00 37.83 36.26 2gjv s LYS 109 CO 0.01 -0.07 1.12 -0.47 -0.36 0.00 0.00 175.35 175.58 2gjv s TYR 110 N 0.47 3.19 -0.15 4.03 5.04 -1.26 -0.39 117.35 128.27 2gjv s TYR 110 Ca -0.03 1.32 -0.11 0.00 -2.44 0.00 0.00 57.07 55.81 2gjv s TYR 110 Cb -0.04 -3.35 -0.24 0.00 0.35 0.00 0.00 41.96 38.68 2gjv s TYR 110 CO -0.02 -0.90 0.28 -0.89 -1.34 0.00 0.00 175.55 172.68 2gjv n ILE 111 N 5.20 1.70 -3.39 3.14 2.08 0.10 -4.95 119.36 123.23 2gjv n ILE 111 Ca 0.12 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.97 2gjv n ILE 111 Cb 0.46 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 2gjv n ILE 111 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gjv n GLY 112 N 1.82 -1.61 1.80 7.39 0.00 -1.14 -5.00 105.19 108.45 2gjv n GLY 112 Ca -0.33 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 2gjv n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gjv n ASP 113 N 2.92 2.12 -4.77 1.61 2.03 -1.26 -0.43 116.55 118.77 2gjv n ASP 113 Ca 0.00 -2.77 -0.41 0.00 0.52 0.00 0.00 54.79 52.13 2gjv n ASP 113 Cb 0.00 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 39.98 2gjv n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gjv s ALA 114 N -2.52 3.60 -1.38 -1.67 0.00 -1.23 -2.83 121.76 115.74 2gjv s ALA 114 Ca 0.36 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2gjv s ALA 114 Cb 0.37 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2gjv s ALA 114 CO -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 174.71 2gjv n ALA 115 N 0.92 -0.66 -2.71 0.00 0.00 -1.26 -2.31 120.51 114.49 2gjv n ALA 115 Ca 0.03 0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 2gjv n ALA 115 Cb 0.39 -1.76 0.02 0.00 0.00 0.00 0.00 19.45 18.10 2gjv n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gjv n ASN 116 N -1.77 -4.40 -3.95 0.00 3.02 -1.13 -5.04 115.26 101.99 2gjv n ASN 116 Ca -0.18 -0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 53.94 2gjv n ASN 116 Cb 0.63 -3.29 -0.17 0.00 -0.61 0.00 0.00 39.78 36.34 2gjv n ASN 116 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2gjv s PHE 117 N -2.92 1.48 0.29 3.10 0.40 -0.98 -4.43 117.98 114.93 2gjv s PHE 117 Ca 0.18 -0.67 -0.29 0.00 -0.60 0.00 0.00 56.93 55.55 2gjv s PHE 117 Cb -0.08 -1.18 -0.09 0.00 0.51 0.00 0.00 43.02 42.18 2gjv s PHE 117 CO 0.22 -0.43 1.08 0.00 0.70 0.00 0.00 175.22 176.79 2gjv s ARG 119 N -1.58 1.26 -0.03 0.00 0.52 0.42 -1.36 118.95 118.19 2gjv s ARG 119 Ca 0.46 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.54 2gjv s ARG 119 Cb -0.30 -1.36 -0.00 0.00 0.52 0.00 0.00 34.95 33.81 2gjv s ARG 119 CO 0.38 -0.23 -0.16 0.71 0.02 0.00 0.00 175.30 176.02 2gjv s TYR 120 N 1.60 1.55 -0.09 -0.53 2.02 -0.99 0.02 117.35 120.93 2gjv s TYR 120 Ca 0.02 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2gjv s TYR 120 Cb -0.13 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 2gjv s TYR 120 CO -0.06 -0.12 -0.06 0.00 -1.57 0.00 0.00 175.55 173.75 2gjv s ALA 121 N -0.05 3.00 -0.30 3.71 0.00 0.47 -0.85 121.76 127.73 2gjv s ALA 121 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 2gjv s ALA 121 Cb -0.10 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 2gjv s ALA 121 CO 0.01 0.49 0.13 -1.17 0.00 0.00 0.00 175.76 175.22 2gjv s LEU 122 N -0.55 4.02 -0.07 0.00 2.96 0.18 -1.19 118.68 124.04 2gjv s LEU 122 Ca 0.08 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.26 2gjv s LEU 122 Cb -0.12 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2gjv s LEU 122 CO 0.02 -0.19 0.41 -1.81 -1.32 0.00 0.00 176.35 173.46 2gjv s ASP 123 N 1.58 6.70 0.09 3.68 1.01 0.27 -1.66 116.67 128.34 2gjv s ASP 123 Ca 0.04 0.83 0.03 0.00 0.71 0.00 0.00 52.55 54.16 2gjv s ASP 123 Cb -0.17 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2gjv s ASP 123 CO 0.05 0.19 -0.08 -0.04 0.21 0.00 0.00 175.17 175.49 2gjv s MET 124 N -0.27 0.80 0.05 8.23 -1.94 -0.22 -0.34 119.30 125.60 2gjv s MET 124 Ca 0.23 -1.17 0.07 0.00 -1.71 0.00 0.00 55.69 53.11 2gjv s MET 124 Cb -0.15 -0.37 -0.03 0.00 2.01 0.00 0.00 34.83 36.29 2gjv s MET 124 CO 0.11 0.04 -0.21 0.95 -0.01 0.00 0.00 175.02 175.89 2gjv s THR 125 N -2.76 1.70 0.27 2.05 -4.23 0.37 -1.87 115.64 111.16 2gjv s THR 125 Ca 0.06 -1.25 0.09 0.00 -1.18 0.00 0.00 61.69 59.41 2gjv s THR 125 Cb -0.01 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 2gjv s THR 125 CO -0.02 0.18 -0.13 0.00 -0.54 0.00 0.00 174.62 174.12 2gjv s ALA 126 N -0.84 2.47 -0.00 3.99 0.00 -0.26 -1.48 121.76 125.64 2gjv s ALA 126 Ca 0.08 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 50.18 2gjv s ALA 126 Cb -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2gjv s ALA 126 CO 0.02 0.09 -0.02 0.45 0.00 0.00 0.00 175.76 176.30 2gjv s SER 127 N -3.46 0.22 0.25 0.00 0.15 -1.26 -0.84 113.70 108.76 2gjv s SER 127 Ca 0.28 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.81 2gjv s SER 127 Cb -0.00 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2gjv s SER 127 CO 0.12 0.02 0.40 0.28 1.20 0.00 0.00 173.24 175.27 2gjv s THR 128 N -0.03 0.00 -0.27 6.45 -1.32 -0.67 -1.46 115.64 118.34 2gjv s THR 128 Ca 0.01 -1.56 -0.05 0.00 -1.21 0.00 0.00 61.69 58.88 2gjv s THR 128 Cb -0.01 -2.33 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 2gjv s THR 128 CO -0.00 0.00 0.02 -0.22 -2.21 0.00 0.00 174.62 172.21 2gjv s LEU 129 N -3.08 3.56 -0.10 9.08 2.96 -1.26 -0.72 118.68 129.12 2gjv s LEU 129 Ca 0.27 -0.77 -0.26 0.00 -0.22 0.00 0.00 54.13 53.15 2gjv s LEU 129 Cb 0.01 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 2gjv s LEU 129 CO 0.11 -0.16 0.84 0.12 -1.32 0.00 0.00 176.35 175.94 2gjv s PHE 130 N 1.43 3.52 -0.21 5.38 5.36 0.27 -4.86 117.98 128.87 2gjv s PHE 130 Ca 0.02 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 2gjv s PHE 130 Cb -0.17 -2.99 0.02 0.00 -0.34 0.00 0.00 43.02 39.54 2gjv s PHE 130 CO -0.00 -0.10 -0.14 0.42 -1.46 0.00 0.00 175.22 173.93 2gjv s ILE 131 N 1.51 2.36 0.41 3.12 1.01 -1.26 -1.21 121.20 127.14 2gjv s ILE 131 Ca 0.42 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.78 2gjv s ILE 131 Cb -0.18 -2.10 -0.09 0.00 0.01 0.00 0.00 42.46 40.10 2gjv s ILE 131 CO 0.18 0.38 1.32 0.00 0.00 0.00 0.00 174.94 176.81 2gjv s ALA 132 N 1.28 3.26 1.12 9.38 0.00 -0.79 -5.04 121.76 130.97 2gjv s ALA 132 Ca 0.02 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 2gjv s ALA 132 Cb -0.15 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.63 2gjv s ALA 132 CO -0.09 -0.86 0.57 0.39 0.00 0.00 0.00 175.76 175.77 2gjv n GLU 133 N 0.11 -1.97 0.00 0.00 -0.58 -1.26 -4.94 120.64 112.00 2gjv n GLU 133 Ca 0.04 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 2gjv n GLU 133 Cb 0.43 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 2gjv n GLU 133 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69