#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 2.96 0.30 5.41 0.00 -1.26 -4.85 121.76 124.32 2gjv s ALA 0 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 2gjv s ALA 0 Cb 0.00 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 2gjv s ALA 0 CO 0.00 -0.31 1.14 1.41 0.00 0.00 0.00 175.76 178.00 2gjv s MET 1 N -3.77 4.53 -0.33 0.00 1.75 -1.26 -4.96 119.30 115.25 2gjv s MET 1 Ca 0.62 1.88 -0.07 0.00 -1.25 0.00 0.00 55.69 56.87 2gjv s MET 1 Cb -0.12 -3.10 0.03 0.00 2.84 0.00 0.00 34.83 34.47 2gjv s MET 1 CO 0.27 0.08 0.11 -1.21 -0.65 0.00 0.00 175.02 173.62 2gjv s GLU 2 N -1.62 2.78 0.31 4.11 2.02 -1.26 -5.00 118.70 120.05 2gjv s GLU 2 Ca 0.47 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 54.46 2gjv s GLU 2 Cb -0.33 -3.45 0.83 0.00 0.10 0.00 0.00 34.13 31.28 2gjv s GLU 2 CO 0.43 -0.60 1.71 1.15 0.02 0.00 0.00 175.26 177.97 2gjv h THR 3 N 6.05 0.50 -0.54 3.63 2.02 -1.99 -0.02 112.91 122.57 2gjv h THR 3 Ca -0.26 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 2gjv h THR 3 Cb 1.10 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2gjv h THR 3 CO 0.61 0.09 -0.03 0.25 0.37 0.00 0.00 175.52 176.81 2gjv h LEU 4 N 0.50 0.92 -0.61 2.58 5.85 -1.99 -2.24 115.31 120.31 2gjv h LEU 4 Ca 0.62 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.11 2gjv h LEU 4 Cb 1.18 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2gjv h LEU 4 CO -0.50 1.00 0.36 0.28 -0.34 0.00 0.00 178.44 179.23 2gjv h SER 5 N 0.86 0.57 -0.45 1.25 0.02 -1.43 0.15 113.55 114.52 2gjv h SER 5 Ca 0.15 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2gjv h SER 5 Cb 0.55 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2gjv h SER 5 CO 0.03 0.39 0.27 0.58 -1.14 0.00 0.00 176.83 176.96 2gjv h VAL 6 N 0.70 1.06 -0.56 2.27 2.07 -1.20 0.41 116.25 120.99 2gjv h VAL 6 Ca 0.26 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2gjv h VAL 6 Cb 0.07 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2gjv h VAL 6 CO -0.13 0.10 0.36 0.40 0.02 0.00 0.00 177.57 178.32 2gjv h ILE 7 N 0.55 1.11 -0.21 4.57 1.08 -0.94 -2.23 117.51 121.44 2gjv h ILE 7 Ca 0.18 -0.25 -0.09 0.00 -0.39 0.00 0.00 64.86 64.31 2gjv h ILE 7 Cb -0.01 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 2gjv h ILE 7 CO -0.07 0.13 -0.25 0.45 -0.69 0.00 0.00 178.15 177.73 2gjv h HIS 8 N 0.73 0.43 -0.01 1.37 3.86 -0.24 -2.04 115.15 119.25 2gjv h HIS 8 Ca 0.22 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2gjv h HIS 8 Cb -0.04 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 2gjv h HIS 8 CO -0.04 0.61 0.00 1.15 0.86 0.00 0.00 177.93 180.51 2gjv h THR 9 N 0.35 1.08 -0.19 2.45 2.02 -0.58 0.27 112.91 118.31 2gjv h THR 9 Ca 0.05 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.03 2gjv h THR 9 Cb 0.62 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2gjv h THR 9 CO 0.04 0.06 0.03 0.58 0.37 0.00 0.00 175.52 176.60 2gjv h VAL 10 N -0.08 0.90 -0.47 3.16 2.07 -1.26 -0.71 116.25 119.86 2gjv h VAL 10 Ca 0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2gjv h VAL 10 Cb 0.09 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2gjv h VAL 10 CO -0.00 0.02 0.28 0.00 0.02 0.00 0.00 177.57 177.89 2gjv h ALA 11 N 1.14 0.61 -0.47 1.67 0.00 -1.22 -2.20 119.26 118.79 2gjv h ALA 11 Ca 0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2gjv h ALA 11 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gjv h ALA 11 CO -0.12 0.10 -0.12 -0.97 0.00 0.00 0.00 179.25 178.14 2gjv h ASN 12 N 0.63 0.92 -0.63 0.00 -0.73 -0.26 -1.23 115.58 114.29 2gjv h ASN 12 Ca 0.17 -0.36 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 2gjv h ASN 12 Cb 0.01 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 2gjv h ASN 12 CO -0.03 1.07 0.37 -0.09 -0.37 0.00 0.00 177.43 178.38 2gjv h ARG 13 N 0.76 0.87 -0.26 6.67 9.65 -0.96 -0.20 114.38 130.92 2gjv h ARG 13 Ca 0.12 -0.08 -0.09 0.00 -1.10 0.00 0.00 59.98 58.83 2gjv h ARG 13 Cb 0.67 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2gjv h ARG 13 CO 0.05 0.63 -0.18 1.25 2.80 0.00 0.00 179.97 184.52 2gjv h LEU 14 N 0.89 0.61 -0.76 3.80 5.85 -1.20 -1.88 115.31 122.62 2gjv h LEU 14 Ca 0.23 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 2gjv h LEU 14 Cb -0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2gjv h LEU 14 CO -0.04 0.92 0.33 0.03 -0.34 0.00 0.00 178.44 179.34 2gjv h ARG 15 N 0.31 1.11 -0.45 1.25 3.08 -0.51 -0.11 114.38 119.06 2gjv h ARG 15 Ca 0.05 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2gjv h ARG 15 Cb 0.71 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2gjv h ARG 15 CO 0.05 0.88 0.12 0.93 -1.07 0.00 0.00 179.97 180.88 2gjv h GLU 16 N 1.08 0.72 0.00 0.04 5.08 -0.91 -2.39 114.58 118.19 2gjv h GLU 16 Ca 0.26 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2gjv h GLU 16 Cb 0.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2gjv h GLU 16 CO -0.03 0.71 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.39 2gjv h LEU 17 N 0.60 0.00 -6.03 1.33 3.38 -1.27 -3.38 115.31 109.94 2gjv h LEU 17 Ca 0.14 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.50 2gjv h LEU 17 Cb 0.31 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.66 2gjv h LEU 17 CO 0.00 0.02 -1.01 0.59 0.09 0.00 0.00 178.44 178.13 2gjv n ASN 18 N -2.48 0.91 0.32 -0.43 3.02 -0.06 -4.97 115.26 111.56 2gjv n ASN 18 Ca 0.04 -2.85 0.20 0.00 -0.03 0.00 0.00 54.58 51.94 2gjv n ASN 18 Cb 0.47 -0.64 1.05 0.00 -0.61 0.00 0.00 39.78 40.05 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 4.00 0.00 -0.71 3.52 0.13 -1.62 -2.05 132.00 135.26 2gjv h PRO 19 Ca 0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.02 2gjv h PRO 19 Cb 0.84 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.85 2gjv h PRO 19 CO 0.54 0.00 0.25 -0.25 -0.23 0.00 0.00 178.00 178.30 2gjv n ASP 20 N -2.93 4.80 -4.57 1.44 8.00 -1.26 -4.91 116.55 117.12 2gjv n ASP 20 Ca -0.03 -3.23 -0.32 0.00 0.71 0.00 0.00 54.79 51.93 2gjv n ASP 20 Cb 0.14 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.40 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 -2.99 2.54 -0.43 -1.24 -1.94 -0.77 -4.02 119.30 110.44 2gjv s MET 21 Ca 0.55 -0.71 -0.20 0.00 -1.71 0.00 0.00 55.69 53.61 2gjv s MET 21 Cb 0.44 -2.48 0.02 0.00 2.01 0.00 0.00 34.83 34.82 2gjv s MET 21 CO 0.13 0.61 0.62 -0.51 -0.01 0.00 0.00 175.02 175.86 2gjv s ASP 22 N -1.26 6.31 -0.19 3.03 1.11 0.35 -4.95 116.67 121.06 2gjv s ASP 22 Ca 0.16 -0.36 -0.06 0.00 0.18 0.00 0.00 52.55 52.46 2gjv s ASP 22 Cb -0.11 -2.31 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 2gjv s ASP 22 CO 0.06 -0.75 0.03 -0.63 1.18 0.00 0.00 175.17 175.05 2gjv s ILE 23 N 2.75 4.30 0.13 0.77 -1.09 -1.26 -1.14 121.20 125.66 2gjv s ILE 23 Ca 0.22 -0.20 0.06 0.00 -2.23 0.00 0.00 60.65 58.49 2gjv s ILE 23 Cb -0.14 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 2gjv s ILE 23 CO 0.18 0.43 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.20 2gjv s HIS 24 N 0.77 1.40 -0.45 3.97 3.76 -0.28 -4.99 115.29 119.47 2gjv s HIS 24 Ca 0.02 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.36 2gjv s HIS 24 Cb -0.14 -0.72 0.12 0.00 1.11 0.00 0.00 32.58 32.95 2gjv s HIS 24 CO 0.02 0.15 0.18 0.42 -0.85 0.00 0.00 174.74 174.67 2gjv s ILE 25 N -2.45 2.62 0.20 0.60 1.01 -1.26 -0.25 121.20 121.66 2gjv s ILE 25 Ca 0.12 -2.78 0.06 0.00 0.00 0.00 0.00 60.65 58.04 2gjv s ILE 25 Cb -0.03 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2gjv s ILE 25 CO 0.03 -0.71 0.15 -0.55 0.00 0.00 0.00 174.94 173.85 2gjv s SER 26 N 0.47 5.45 0.06 3.58 0.15 -1.26 -5.01 113.70 117.14 2gjv s SER 26 Ca 0.14 -0.20 0.25 0.00 0.70 0.00 0.00 55.95 56.84 2gjv s SER 26 Cb -0.22 -1.39 0.54 0.00 -1.71 0.00 0.00 66.02 63.24 2gjv s SER 26 CO -0.04 0.03 1.45 -1.20 1.20 0.00 0.00 173.24 174.68 2gjv n SER 27 N -0.65 0.54 -4.82 5.45 7.64 -1.26 -4.87 113.62 115.66 2gjv n SER 27 Ca -0.08 0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 2gjv n SER 27 Cb 0.56 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.28 0.44 2.01 -1.26 -5.05 115.64 113.77 2gjv s THR 28 Ca 0.09 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 2gjv s THR 28 Cb 0.16 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 2gjv s THR 28 CO 0.68 0.53 1.41 -0.62 -0.69 0.00 0.00 174.62 175.93 2gjv s ASP 29 N -1.17 6.67 0.23 3.53 -1.08 -1.26 -4.85 116.67 118.74 2gjv s ASP 29 Ca 0.29 2.69 0.20 0.00 -0.52 0.00 0.00 52.55 55.22 2gjv s ASP 29 Cb -0.19 -2.63 0.93 0.00 -1.46 0.00 0.00 42.92 39.57 2gjv s ASP 29 CO 0.18 -0.67 1.62 0.00 0.52 0.00 0.00 175.17 176.82 2gjv n ALA 30 N 1.84 1.40 0.21 3.66 0.00 -1.26 -1.31 120.51 125.05 2gjv n ALA 30 Ca 0.05 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.67 2gjv n ALA 30 Cb 0.41 -1.32 0.41 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.96 -3.34 116.57 114.91 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 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2gjv h LYS 31 CO 0.00 0.29 -0.63 1.33 -2.27 0.00 0.00 179.45 178.17 2gjv n VAL 32 N -3.49 0.00 -1.61 2.00 0.24 -0.94 -4.45 118.33 110.08 2gjv n VAL 32 Ca -0.00 -0.09 -0.48 0.00 -2.04 0.00 0.00 64.34 61.74 2gjv n VAL 32 Cb 0.46 0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.12 1.58 -3.69 6.34 9.36 -0.43 -4.97 117.16 124.22 2gjv n TYR 33 Ca 0.00 0.60 -0.38 0.00 3.32 0.00 0.00 57.90 61.44 2gjv n TYR 33 Cb 0.00 -2.34 -0.12 0.00 -0.63 0.00 0.00 39.34 36.25 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 -0.10 4.36 0.33 2.97 -1.09 -1.26 -5.01 121.20 121.40 2gjv s ILE 34 Ca 0.72 -0.55 -0.28 0.00 -2.23 0.00 0.00 60.65 58.31 2gjv s ILE 34 Cb -0.79 -3.24 -0.10 0.00 -1.58 0.00 0.00 42.46 36.75 2gjv s ILE 34 CO 0.51 0.05 1.22 -2.16 -1.23 0.00 0.00 174.94 173.33 2gjv s PRO 35 N 1.57 4.38 -0.15 2.79 0.05 -1.26 -4.96 135.00 137.42 2gjv s PRO 35 Ca 0.04 2.02 0.19 0.00 0.05 0.00 0.00 61.00 63.30 2gjv s PRO 35 Cb -0.17 -3.03 -0.27 0.00 0.05 0.00 0.00 34.50 31.08 2gjv s PRO 35 CO 0.05 -0.09 0.18 0.25 0.05 0.00 0.00 177.00 177.43 2gjv n THR 36 N 0.78 0.99 -1.98 1.26 -2.24 -1.26 -5.02 114.28 106.80 2gjv n THR 36 Ca 0.00 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 2gjv n THR 36 Cb 0.44 -0.34 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 2gjv n THR 36 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gjv s GLY 37 N -5.17 1.62 0.00 3.38 0.00 -1.26 -4.98 107.32 100.91 2gjv s GLY 37 Ca -0.09 -0.60 0.17 0.00 0.00 0.00 0.00 44.72 44.19 2gjv s GLY 37 CO 0.83 -0.18 1.45 -1.06 0.00 0.00 0.00 173.10 174.14 2gjv n GLN 38 N -3.10 1.67 -3.71 2.90 3.00 -1.26 -4.90 117.38 111.98 2gjv n GLN 38 Ca 0.07 -1.02 -0.21 0.00 -0.01 0.00 0.00 57.00 55.83 2gjv n GLN 38 Cb 0.59 -1.33 -0.03 0.00 0.00 0.00 0.00 30.24 29.47 2gjv n GLN 38 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2gjv s GLN 39 N -1.73 2.70 0.16 -1.09 -0.21 -1.26 -5.07 119.66 113.16 2gjv s GLN 39 Ca 0.28 -1.34 -0.32 0.00 0.02 0.00 0.00 55.36 54.00 2gjv s GLN 39 Cb 0.15 -2.48 -0.10 0.00 1.00 0.00 0.00 33.01 31.58 2gjv s GLN 39 CO 0.22 0.01 1.58 0.08 -2.12 0.00 0.00 175.29 175.06 2gjv s VAL 40 N -2.34 2.61 -0.14 1.09 1.01 -1.26 -4.71 120.40 116.66 2gjv s VAL 40 Ca 0.43 0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 2gjv s VAL 40 Cb -0.05 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2gjv s VAL 40 CO 0.27 0.03 -0.01 -0.89 0.00 0.00 0.00 175.10 174.51 2gjv s THR 41 N 1.24 4.19 -0.06 3.92 2.01 -1.22 -0.50 115.64 125.22 2gjv s THR 41 Ca 0.71 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.47 2gjv s THR 41 Cb -0.44 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2gjv s THR 41 CO 0.31 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.96 2gjv s VAL 42 N 0.03 1.04 -0.17 3.82 1.01 -0.29 -0.78 120.40 125.07 2gjv s VAL 42 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2gjv s VAL 42 Cb -0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2gjv s VAL 42 CO 0.02 0.33 0.00 -0.76 0.00 0.00 0.00 175.10 174.70 2gjv s LEU 43 N 0.71 3.45 -0.16 3.92 1.43 -0.48 -1.13 118.68 126.41 2gjv s LEU 43 Ca -0.14 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2gjv s LEU 43 Cb -0.16 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2gjv s LEU 43 CO 0.03 0.16 0.19 -0.63 0.23 0.00 0.00 176.35 176.34 2gjv s ILE 44 N 0.43 5.38 -0.02 -0.59 -1.09 0.65 -1.31 121.20 124.65 2gjv s ILE 44 Ca -0.01 0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 2gjv s ILE 44 Cb -0.14 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2gjv s ILE 44 CO 0.02 0.46 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.91 2gjv s HIS 45 N 0.07 0.24 -0.35 3.97 5.65 -0.43 -4.20 115.29 120.24 2gjv s HIS 45 Ca 0.13 -0.00 -0.24 0.00 0.25 0.00 0.00 55.06 55.19 2gjv s HIS 45 Cb -0.12 -0.28 0.01 0.00 -1.18 0.00 0.00 32.58 31.01 2gjv s HIS 45 CO 0.02 -0.07 0.82 -0.47 -0.65 0.00 0.00 174.74 174.39 2gjv s TYR 46 N 0.59 3.12 0.03 3.88 5.04 -1.26 -0.88 117.35 127.86 2gjv s TYR 46 Ca -0.06 0.66 -0.16 0.00 -2.44 0.00 0.00 57.07 55.07 2gjv s TYR 46 Cb -0.08 -3.44 -0.35 0.00 0.35 0.00 0.00 41.96 38.44 2gjv s TYR 46 CO -0.01 -0.73 1.01 0.00 -1.34 0.00 0.00 175.55 174.48 2gjv n GLY 48 N 1.66 -0.06 3.10 0.00 0.00 -1.20 -4.99 105.19 103.70 2gjv n GLY 48 Ca -0.16 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.87 0.37 -0.04 1.61 0.01 -1.26 -0.81 113.70 109.71 2gjv s SER 49 Ca 0.00 -0.85 0.06 0.00 1.31 0.00 0.00 55.95 56.47 2gjv s SER 49 Cb 0.00 0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 2gjv s SER 49 CO 0.00 -0.59 -0.22 -0.69 0.41 0.00 0.00 173.24 172.15 2gjv s VAL 50 N -3.57 1.83 -0.15 3.43 1.01 -0.97 -4.99 120.40 116.99 2gjv s VAL 50 Ca 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2gjv s VAL 50 Cb 0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2gjv s VAL 50 CO -0.09 0.52 -0.11 -0.36 0.00 0.00 0.00 175.10 175.05 2gjv s PHE 51 N -0.19 2.85 0.49 5.22 0.40 -1.26 -1.73 117.98 123.75 2gjv s PHE 51 Ca -0.01 -0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 55.42 2gjv s PHE 51 Cb -0.12 -1.90 -0.08 0.00 0.51 0.00 0.00 43.02 41.43 2gjv s PHE 51 CO 0.02 -0.30 0.94 0.00 0.70 0.00 0.00 175.22 176.58 2gjv s ALA 52 N 0.63 3.11 0.74 5.36 0.00 -0.20 -4.99 121.76 126.42 2gjv s ALA 52 Ca -0.06 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 2gjv s ALA 52 Cb -0.15 -3.05 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2gjv s ALA 52 CO 0.03 -0.16 1.21 -1.21 0.00 0.00 0.00 175.76 175.63 2gjv s GLU 53 N -3.94 2.05 0.21 0.00 2.02 -1.26 -4.10 118.70 113.67 2gjv s GLU 53 Ca 0.58 1.76 -0.31 0.00 0.02 0.00 0.00 54.97 57.02 2gjv s GLU 53 Cb -0.10 -1.82 -0.11 0.00 0.10 0.00 0.00 34.13 32.20 2gjv s GLU 53 CO 0.29 -1.91 1.61 -2.14 0.02 0.00 0.00 175.26 173.14 2gjv s PRO 54 N -3.95 4.17 -1.19 0.39 0.02 -1.26 -4.67 135.00 128.52 2gjv s PRO 54 Ca 0.74 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 64.08 2gjv s PRO 54 Cb -0.29 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2gjv s PRO 54 CO 0.46 -0.64 2.16 0.39 -0.33 0.00 0.00 177.00 179.04 2gjv n GLU 55 N 3.53 2.37 -3.54 5.54 1.02 -1.26 -4.36 120.64 123.94 2gjv n GLU 55 Ca 0.13 -2.23 -0.19 0.00 -0.02 0.00 0.00 57.16 54.85 2gjv n GLU 55 Cb 0.37 -3.07 0.07 0.00 -0.02 0.00 0.00 31.44 28.79 2gjv n GLU 55 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2gjv n ASN 56 N 6.32 -1.75 -4.38 1.62 4.13 -1.26 -5.02 115.26 114.91 2gjv n ASN 56 Ca 0.53 -0.70 -0.26 0.00 1.68 0.00 0.00 54.58 55.83 2gjv n ASN 56 Cb 0.37 -4.70 -0.12 0.00 -1.54 0.00 0.00 39.78 33.79 2gjv n ASN 56 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2gjv s THR 57 N -3.48 2.16 0.34 3.41 -4.23 -1.26 -5.02 115.64 107.55 2gjv s THR 57 Ca 0.01 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 58.81 2gjv s THR 57 Cb -0.01 -1.98 0.16 0.00 1.34 0.00 0.00 72.50 72.02 2gjv s THR 57 CO 0.76 -0.10 1.88 0.44 -0.54 0.00 0.00 174.62 177.06 2gjv h ASP 58 N 3.46 0.00 -2.79 3.99 3.32 -1.99 -3.44 116.42 118.98 2gjv h ASP 58 Ca -0.47 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.94 2gjv h ASP 58 Cb 1.20 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 2gjv h ASP 58 CO 0.45 0.29 -0.38 0.00 -1.72 0.00 0.00 179.24 177.89 2gjv s ALA 59 N -4.07 3.81 -0.80 3.45 0.00 -1.26 -5.02 121.76 117.86 2gjv s ALA 59 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 2gjv s ALA 59 Cb 0.13 -2.12 0.04 0.00 0.00 0.00 0.00 23.12 21.17 2gjv s ALA 59 CO 0.68 0.55 1.26 0.99 0.00 0.00 0.00 175.76 179.24 2gjv s THR 60 N -0.99 3.90 -0.06 0.00 2.01 -1.26 -4.93 115.64 114.30 2gjv s THR 60 Ca 0.18 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2gjv s THR 60 Cb -0.14 -4.91 0.02 0.00 0.01 0.00 0.00 72.50 67.49 2gjv s THR 60 CO 0.07 -1.80 -0.04 -0.69 -0.69 0.00 0.00 174.62 171.47 2gjv s VAL 61 N 5.20 0.61 -0.03 3.82 1.01 -1.26 -2.00 120.40 127.75 2gjv s VAL 61 Ca 0.35 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2gjv s VAL 61 Cb -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2gjv s VAL 61 CO 0.08 0.27 -0.10 -1.10 0.00 0.00 0.00 175.10 174.25 2gjv s GLN 62 N 1.34 1.01 0.08 2.72 -0.21 -0.04 -4.04 119.66 120.52 2gjv s GLN 62 Ca -0.04 -0.33 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 2gjv s GLN 62 Cb -0.14 -0.94 -0.06 0.00 1.00 0.00 0.00 33.01 32.88 2gjv s GLN 62 CO -0.03 0.13 1.18 0.21 -2.12 0.00 0.00 175.29 174.66 2gjv s LYS 63 N 0.16 4.46 -0.13 2.91 2.20 -1.26 -0.62 119.74 127.46 2gjv s LYS 63 Ca -0.03 1.76 0.03 0.00 -0.36 0.00 0.00 55.97 57.37 2gjv s LYS 63 Cb -0.08 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2gjv s LYS 63 CO 0.01 -0.20 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.43 2gjv s GLN 64 N 0.83 3.03 -0.29 4.03 0.74 -0.16 -1.03 119.66 126.81 2gjv s GLN 64 Ca 0.57 -0.86 -0.07 0.00 0.05 0.00 0.00 55.36 55.06 2gjv s GLN 64 Cb -0.29 -2.40 0.01 0.00 1.10 0.00 0.00 33.01 31.42 2gjv s GLN 64 CO 0.30 0.04 0.07 -1.17 -0.55 0.00 0.00 175.29 173.98 2gjv s LEU 65 N 0.69 3.77 -0.10 3.68 2.96 -0.70 -1.48 118.68 127.49 2gjv s LEU 65 Ca -0.10 -0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 2gjv s LEU 65 Cb -0.16 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2gjv s LEU 65 CO 0.01 -0.17 0.35 -0.63 -1.32 0.00 0.00 176.35 174.59 2gjv s ILE 66 N 1.50 5.21 -0.16 6.68 1.01 0.15 -2.30 121.20 133.29 2gjv s ILE 66 Ca 0.03 0.69 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 2gjv s ILE 66 Cb -0.17 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2gjv s ILE 66 CO 0.02 0.46 -0.08 -0.13 0.00 0.00 0.00 174.94 175.21 2gjv s ARG 67 N -0.12 3.47 -0.02 2.79 0.52 0.01 -1.37 118.95 124.24 2gjv s ARG 67 Ca 0.21 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2gjv s ARG 67 Cb -0.14 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.51 2gjv s ARG 67 CO 0.08 0.12 -0.08 0.42 0.02 0.00 0.00 175.30 175.85 2gjv s ILE 68 N 0.65 0.71 0.16 1.52 1.01 -0.68 -0.29 121.20 124.28 2gjv s ILE 68 Ca -0.05 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.36 2gjv s ILE 68 Cb -0.15 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2gjv s ILE 68 CO 0.02 0.22 -0.21 -0.94 0.00 0.00 0.00 174.94 174.03 2gjv s SER 69 N 0.07 3.64 -0.11 3.58 1.04 -0.06 0.07 113.70 121.93 2gjv s SER 69 Ca -0.01 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 2gjv s SER 69 Cb -0.07 -0.39 0.03 0.00 0.10 0.00 0.00 66.02 65.70 2gjv s SER 69 CO 0.00 0.15 -0.05 0.00 0.98 0.00 0.00 173.24 174.31 2gjv s ALA 70 N -1.40 1.19 -0.19 5.32 0.00 0.02 -1.31 121.76 125.38 2gjv s ALA 70 Ca 0.19 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 2gjv s ALA 70 Cb -0.09 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 2gjv s ALA 70 CO 0.10 -0.47 -0.10 0.99 0.00 0.00 0.00 175.76 176.28 2gjv s THR 71 N 1.77 3.03 0.11 0.00 2.01 -0.43 -0.38 115.64 121.75 2gjv s THR 71 Ca 0.05 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 2gjv s THR 71 Cb -0.13 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 2gjv s THR 71 CO -0.07 0.47 0.68 0.68 -0.69 0.00 0.00 174.62 175.69 2gjv s VAL 72 N 1.12 4.58 -0.26 3.82 -7.23 -0.01 -1.38 120.40 121.05 2gjv s VAL 72 Ca 0.01 1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 61.63 2gjv s VAL 72 Cb -0.14 -4.03 0.08 0.00 0.56 0.00 0.00 36.38 32.85 2gjv s VAL 72 CO -0.03 0.52 0.08 -0.63 -0.31 0.00 0.00 175.10 174.73 2gjv s ILE 73 N -0.98 0.54 0.02 -0.62 1.01 0.04 -2.04 121.20 119.17 2gjv s ILE 73 Ca 0.33 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2gjv s ILE 73 Cb -0.21 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.01 2gjv s ILE 73 CO 0.23 -0.48 0.22 0.68 0.00 0.00 0.00 174.94 175.59 2gjv s VAL 74 N 1.81 0.09 0.14 2.92 -7.23 -0.74 -3.40 120.40 113.99 2gjv s VAL 74 Ca 0.05 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.36 2gjv s VAL 74 Cb -0.17 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.08 2gjv s VAL 74 CO -0.20 -0.39 1.70 -0.65 -0.31 0.00 0.00 175.10 175.25 2gjv h PRO 75 N 3.75 0.67 -6.03 4.82 0.11 -1.86 0.56 132.00 134.02 2gjv h PRO 75 Ca -0.31 -0.12 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 2gjv h PRO 75 Cb 1.19 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 2gjv h PRO 75 CO 0.44 0.61 -0.05 -0.65 -0.21 0.00 0.00 178.00 178.14 2gjv s GLN 76 N -5.58 4.28 0.22 1.05 -0.21 -1.26 -4.23 119.66 113.93 2gjv s GLN 76 Ca -0.13 0.67 -0.08 0.00 0.02 0.00 0.00 55.36 55.84 2gjv s GLN 76 Cb 0.11 -3.34 0.33 0.00 1.00 0.00 0.00 33.01 31.11 2gjv s GLN 76 CO 0.76 0.37 1.75 0.97 -2.12 0.00 0.00 175.29 177.02 2gjv h ILE 77 N 4.16 0.76 -0.49 1.08 6.09 -1.96 -1.40 117.51 125.75 2gjv h ILE 77 Ca -0.45 -0.16 -0.08 0.00 -1.37 0.00 0.00 64.86 62.80 2gjv h ILE 77 Cb 1.20 0.26 -0.02 0.00 0.47 0.00 0.00 36.82 38.73 2gjv h ILE 77 CO 0.70 0.08 -0.01 0.77 -3.07 0.00 0.00 178.15 176.62 2gjv h SER 78 N 0.46 0.80 -0.04 2.19 4.64 -1.98 -1.73 113.55 117.90 2gjv h SER 78 Ca 0.34 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 2gjv h SER 78 Cb 0.43 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2gjv h SER 78 CO -0.32 0.88 -0.41 0.44 -0.87 0.00 0.00 176.83 176.55 2gjv h ASP 79 N 0.77 0.60 -0.50 4.97 3.32 -1.85 -2.05 116.42 121.68 2gjv h ASP 79 Ca 0.15 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 2gjv h ASP 79 Cb 0.48 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2gjv h ASP 79 CO 0.02 0.94 -0.13 0.00 -1.72 0.00 0.00 179.24 178.35 2gjv h ALA 80 N 1.09 0.78 -0.22 3.45 0.00 -0.93 -1.57 119.26 121.87 2gjv h ALA 80 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2gjv h ALA 80 Cb 0.91 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2gjv h ALA 80 CO 0.08 0.67 -0.58 0.82 0.00 0.00 0.00 179.25 180.23 2gjv h ILE 81 N 0.88 1.30 -0.30 0.00 2.04 -1.27 -2.03 117.51 118.13 2gjv h ILE 81 Ca 0.13 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 2gjv h ILE 81 Cb 0.69 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2gjv h ILE 81 CO 0.05 0.57 0.11 0.78 0.00 0.00 0.00 178.15 179.67 2gjv h ASN 82 N 0.52 0.42 -0.35 1.72 2.35 -1.32 -2.60 115.58 116.33 2gjv h ASN 82 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2gjv h ASN 82 Cb 1.16 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 2gjv h ASN 82 CO 0.12 0.48 0.23 0.00 -1.65 0.00 0.00 177.43 176.61 2gjv h ALA 83 N 0.95 1.74 -0.48 -0.83 0.00 -1.22 -1.47 119.26 117.95 2gjv h ALA 83 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2gjv h ALA 83 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2gjv h ALA 83 CO -0.01 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.69 2gjv h LEU 84 N 0.48 0.82 -0.93 0.00 5.85 -1.08 -2.07 115.31 118.37 2gjv h LEU 84 Ca 0.13 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2gjv h LEU 84 Cb -0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2gjv h LEU 84 CO -0.03 0.91 -0.04 0.44 -0.34 0.00 0.00 178.44 179.38 2gjv h ASP 85 N 0.77 0.71 -0.55 1.25 3.32 -0.91 -2.92 116.42 118.10 2gjv h ASP 85 Ca 0.14 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2gjv h ASP 85 Cb 0.53 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2gjv h ASP 85 CO 0.03 0.80 0.05 0.03 -1.72 0.00 0.00 179.24 178.43 2gjv h ARG 86 N 0.68 0.97 -0.19 3.56 2.47 -0.98 -2.71 114.38 118.18 2gjv h ARG 86 Ca 0.13 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 2gjv h ARG 86 Cb 0.48 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2gjv h ARG 86 CO 0.02 0.93 0.01 -0.07 0.56 0.00 0.00 179.97 181.43 2gjv h LEU 87 N 0.91 0.33 -0.70 3.04 3.38 -1.24 -0.04 115.31 120.98 2gjv h LEU 87 Ca 0.17 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2gjv h LEU 87 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2gjv h LEU 87 CO 0.02 0.54 -0.27 0.08 0.09 0.00 0.00 178.44 178.89 2gjv h ARG 88 N 0.10 0.70 -0.30 1.13 0.11 -1.54 0.34 114.38 114.93 2gjv h ARG 88 Ca 0.06 -0.30 -0.09 0.00 0.10 0.00 0.00 59.98 59.74 2gjv h ARG 88 Cb 0.37 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2gjv h ARG 88 CO 0.01 0.90 -0.20 -0.09 0.10 0.00 0.00 179.97 180.69 2gjv h ARG 89 N 0.61 0.56 0.02 0.08 2.43 -1.47 -0.16 114.38 116.45 2gjv h ARG 89 Ca 0.08 -0.20 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 2gjv h ARG 89 Cb 0.78 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2gjv h ARG 89 CO 0.06 0.73 -0.97 0.77 -1.51 0.00 0.00 179.97 179.05 2gjv h SER 90 N 0.50 0.39 0.00 -3.80 0.02 -0.32 -3.40 113.55 106.94 2gjv h SER 90 Ca 0.08 -0.34 -0.32 0.00 -0.84 0.00 0.00 61.79 60.37 2gjv h SER 90 Cb 0.62 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 2gjv h SER 90 CO 0.04 1.16 -2.22 0.18 -1.14 0.00 0.00 176.83 174.85 2gjv n LEU 91 N -3.66 0.56 -4.68 5.07 4.77 0.11 -4.86 117.00 114.31 2gjv n LEU 91 Ca -0.06 -0.02 -0.47 0.00 -0.03 0.00 0.00 56.01 55.44 2gjv n LEU 91 Cb 0.86 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 42.11 2gjv n LEU 91 CO 0.50 0.52 1.40 0.61 -1.33 0.00 0.00 177.39 179.09 2gjv n GLY 92 N 2.01 1.40 2.28 -0.72 0.00 -0.08 -2.75 105.19 107.34 2gjv n GLY 92 Ca -0.31 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 4.08 0.61 3.81 -0.02 0.00 0.26 -4.98 105.19 108.96 2gjv n GLY 93 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.48 3.95 0.27 -0.61 -4.36 -1.11 -4.52 121.20 112.33 2gjv s ILE 94 Ca 0.00 0.88 -0.26 0.00 -0.26 0.00 0.00 60.65 61.01 2gjv s ILE 94 Cb 0.00 -3.44 -0.09 0.00 1.25 0.00 0.00 42.46 40.18 2gjv s ILE 94 CO 0.00 -0.58 0.89 -1.61 0.24 0.00 0.00 174.94 173.88 2gjv s GLU 95 N -4.21 4.62 0.07 0.37 0.41 -1.26 -0.95 118.70 117.75 2gjv s GLU 95 Ca 0.62 1.29 0.08 0.00 -0.41 0.00 0.00 54.97 56.56 2gjv s GLU 95 Cb -0.15 -3.00 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 2gjv s GLU 95 CO 0.39 0.40 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.85 2gjv s LEU 96 N -1.69 2.56 0.23 1.80 1.43 -1.26 -4.94 118.68 116.82 2gjv s LEU 96 Ca 0.45 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 2gjv s LEU 96 Cb -0.21 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2gjv s LEU 96 CO 0.26 0.23 1.25 -2.16 0.23 0.00 0.00 176.35 176.15 2gjv s PRO 97 N -1.69 4.45 -1.98 1.29 0.04 -1.26 -2.99 135.00 132.85 2gjv s PRO 97 Ca 0.15 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2gjv s PRO 97 Cb -0.10 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2gjv s PRO 97 CO 0.06 -0.13 0.00 -0.25 0.04 0.00 0.00 177.00 176.73 2gjv n ASP 98 N 2.02 -5.53 -4.77 6.66 8.00 -1.26 -4.85 116.55 116.82 2gjv n ASP 98 Ca 0.03 0.30 -0.30 0.00 0.71 0.00 0.00 54.79 55.53 2gjv n ASP 98 Cb 0.43 -4.77 -0.07 0.00 -0.02 0.00 0.00 41.12 36.70 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 0.38 2.18 -3.63 0.00 5.68 -0.14 -4.86 116.55 116.15 2gjv n ASP 100 Ca -0.09 -1.82 -0.08 0.00 -0.50 0.00 0.00 54.79 52.31 2gjv n ASP 100 Cb 0.52 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.32 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 -1.67 1.25 1.03 0.11 1.70 -1.26 -5.07 118.95 115.04 2gjv s ARG 101 Ca 0.33 -0.59 -0.12 0.00 -0.47 0.00 0.00 55.73 54.88 2gjv s ARG 101 Cb 0.18 0.49 0.21 0.00 -0.57 0.00 0.00 34.95 35.26 2gjv s ARG 101 CO 0.27 -0.56 1.07 -2.14 -1.08 0.00 0.00 175.30 172.86 2gjv s PRO 102 N -3.50 0.15 0.11 3.89 0.02 -1.26 -4.60 135.00 129.80 2gjv s PRO 102 Ca 0.07 0.86 -0.31 0.00 0.02 0.00 0.00 61.00 61.64 2gjv s PRO 102 Cb -0.02 -1.68 -0.08 0.00 0.02 0.00 0.00 34.50 32.74 2gjv s PRO 102 CO -0.03 -3.01 1.40 -1.17 -0.33 0.00 0.00 177.00 173.86 2gjv s LEU 103 N -6.73 4.37 -0.02 -5.54 2.96 -0.13 -4.81 118.68 108.78 2gjv s LEU 103 Ca 0.66 2.32 0.02 0.00 -0.22 0.00 0.00 54.13 56.91 2gjv s LEU 103 Cb -0.22 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 2gjv s LEU 103 CO 0.60 -0.67 -0.03 0.26 -1.32 0.00 0.00 176.35 175.19 2gjv s TRP 104 N 1.24 2.99 0.21 5.38 0.52 -0.59 -0.57 118.94 128.13 2gjv s TRP 104 Ca 0.65 0.04 -0.27 0.00 0.02 0.00 0.00 56.10 56.54 2gjv s TRP 104 Cb -0.37 -1.67 -0.09 0.00 -1.15 0.00 0.00 33.47 30.20 2gjv s TRP 104 CO 0.30 0.41 0.85 -0.51 0.02 0.00 0.00 176.95 178.02 2gjv s LEU 105 N -1.30 4.60 -0.05 2.99 1.43 -1.26 -1.03 118.68 124.06 2gjv s LEU 105 Ca 0.17 1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 54.98 2gjv s LEU 105 Cb -0.11 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 2gjv s LEU 105 CO 0.07 0.17 -0.13 1.21 0.23 0.00 0.00 176.35 177.90 2gjv n GLU 106 N 1.46 0.20 -3.73 1.70 2.13 -0.21 -4.85 120.64 117.34 2gjv n GLU 106 Ca -0.04 0.08 -0.07 0.00 0.66 0.00 0.00 57.16 57.80 2gjv n GLU 106 Cb 0.48 -0.85 -0.02 0.00 0.27 0.00 0.00 31.44 31.32 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 -5.95 -0.31 -0.03 4.31 1.04 -1.04 -5.00 113.70 106.72 2gjv s SER 107 Ca -0.12 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 55.94 2gjv s SER 107 Cb 0.03 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2gjv s SER 107 CO 0.17 -1.14 -0.17 -1.61 0.98 0.00 0.00 173.24 171.46 2gjv s GLU 108 N -3.71 1.65 -0.02 4.02 2.02 -1.26 0.04 118.70 121.43 2gjv s GLU 108 Ca 0.09 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 2gjv s GLU 108 Cb -0.04 -1.48 0.01 0.00 0.10 0.00 0.00 34.13 32.72 2gjv s GLU 108 CO 0.01 0.29 0.18 -1.59 0.02 0.00 0.00 175.26 174.17 2gjv s LYS 109 N -0.11 0.44 -0.02 1.61 -2.85 0.43 -4.97 119.74 114.26 2gjv s LYS 109 Ca -0.00 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 2gjv s LYS 109 Cb -0.10 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 2gjv s LYS 109 CO 0.01 -0.10 1.21 -0.47 0.10 0.00 0.00 175.35 176.11 2gjv s TYR 110 N -0.91 3.22 -0.23 1.78 5.04 -1.26 -0.27 117.35 124.72 2gjv s TYR 110 Ca -0.10 1.21 -0.18 0.00 -2.44 0.00 0.00 57.07 55.56 2gjv s TYR 110 Cb -0.05 -3.44 -0.17 0.00 0.35 0.00 0.00 41.96 38.65 2gjv s TYR 110 CO 0.02 -1.39 0.02 -0.89 -1.34 0.00 0.00 175.55 171.97 2gjv n ILE 111 N 4.44 1.54 -3.70 3.14 2.08 0.40 -4.93 119.36 122.35 2gjv n ILE 111 Ca 0.11 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2gjv n ILE 111 Cb 0.46 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 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 1.42 -1.35 1.08 7.39 0.00 -1.14 -5.01 105.19 107.57 2gjv n GLY 112 Ca -0.40 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.55 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 2.15 1.12 -4.62 1.61 4.64 -1.26 -1.22 116.55 118.98 2gjv n ASP 113 Ca 0.00 -2.53 -0.48 0.00 -1.38 0.00 0.00 54.79 50.40 2gjv n ASP 113 Cb 0.00 -0.35 -0.04 0.00 -1.04 0.00 0.00 41.12 39.69 2gjv n ASP 113 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2gjv n ALA 114 N -0.07 0.00 -2.07 -1.67 0.00 -1.23 -2.07 120.51 113.40 2gjv n ALA 114 Ca 0.09 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.78 2gjv n ALA 114 Cb 0.95 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 2gjv n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gjv n ALA 115 N 1.88 -0.50 -1.92 0.00 0.00 -1.26 -2.17 120.51 116.54 2gjv n ALA 115 Ca 0.14 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.74 2gjv n ALA 115 Cb 0.27 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 2gjv n ALA 115 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2gjv n ASN 116 N -1.72 -3.03 -4.17 0.00 4.05 -0.88 -5.03 115.26 104.49 2gjv n ASN 116 Ca -0.23 0.04 -0.32 0.00 0.45 0.00 0.00 54.58 54.53 2gjv n ASN 116 Cb 0.68 -2.08 -0.17 0.00 1.23 0.00 0.00 39.78 39.44 2gjv n ASN 116 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2gjv s PHE 117 N -2.35 2.52 -0.05 1.20 0.40 -0.92 -4.32 117.98 114.46 2gjv s PHE 117 Ca 0.00 -1.19 -0.29 0.00 -0.60 0.00 0.00 56.93 54.85 2gjv s PHE 117 Cb 0.00 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2gjv s PHE 117 CO 0.00 -0.53 0.96 0.00 0.70 0.00 0.00 175.22 176.35 2gjv s ARG 119 N 1.41 2.46 -0.06 0.00 0.52 -0.36 -1.80 118.95 121.12 2gjv s ARG 119 Ca 0.49 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 2gjv s ARG 119 Cb -0.20 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2gjv s ARG 119 CO 0.23 -0.18 -0.15 0.71 0.02 0.00 0.00 175.30 175.92 2gjv s TYR 120 N 1.31 1.66 -0.11 -0.53 1.51 -0.87 -0.45 117.35 119.87 2gjv s TYR 120 Ca 0.02 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 2gjv s TYR 120 Cb -0.13 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2gjv s TYR 120 CO -0.09 -0.24 -0.02 0.00 -1.11 0.00 0.00 175.55 174.09 2gjv s ALA 121 N 0.36 3.13 -0.27 3.71 0.00 0.62 -0.83 121.76 128.49 2gjv s ALA 121 Ca -0.10 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 2gjv s ALA 121 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2gjv s ALA 121 CO 0.04 0.43 0.14 -1.17 0.00 0.00 0.00 175.76 175.20 2gjv s LEU 122 N -0.37 3.79 -0.12 0.00 2.96 0.49 -0.43 118.68 125.00 2gjv s LEU 122 Ca 0.06 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 2gjv s LEU 122 Cb -0.12 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2gjv s LEU 122 CO 0.02 -0.06 0.19 -1.81 -1.32 0.00 0.00 176.35 173.38 2gjv s ASP 123 N 1.69 6.42 0.13 3.68 1.01 0.11 -0.80 116.67 128.90 2gjv s ASP 123 Ca 0.07 0.50 0.01 0.00 0.71 0.00 0.00 52.55 53.84 2gjv s ASP 123 Cb -0.16 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 2gjv s ASP 123 CO 0.08 0.32 -0.03 -0.04 0.21 0.00 0.00 175.17 175.71 2gjv s MET 124 N -0.61 0.95 0.06 8.23 -1.94 0.11 -1.04 119.30 125.06 2gjv s MET 124 Ca 0.15 -1.42 0.05 0.00 -1.71 0.00 0.00 55.69 52.76 2gjv s MET 124 Cb -0.13 -0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.51 2gjv s MET 124 CO 0.04 -0.09 -0.14 0.95 -0.01 0.00 0.00 175.02 175.77 2gjv s THR 125 N -3.68 1.13 0.23 2.05 -4.23 -0.20 -1.69 115.64 109.25 2gjv s THR 125 Ca 0.18 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 2gjv s THR 125 Cb 0.06 -1.07 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 2gjv s THR 125 CO -0.01 -0.15 -0.06 0.00 -0.54 0.00 0.00 174.62 173.86 2gjv s ALA 126 N -1.14 1.96 0.00 3.99 0.00 -0.47 -1.54 121.76 124.56 2gjv s ALA 126 Ca -0.01 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.23 2gjv s ALA 126 Cb -0.09 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2gjv s ALA 126 CO 0.02 -0.11 -0.05 0.45 0.00 0.00 0.00 175.76 176.07 2gjv s SER 127 N -3.33 0.62 0.31 0.00 0.15 -1.26 -0.68 113.70 109.52 2gjv s SER 127 Ca 0.26 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.64 2gjv s SER 127 Cb 0.03 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2gjv s SER 127 CO 0.08 0.01 0.54 0.28 1.20 0.00 0.00 173.24 175.35 2gjv s THR 128 N -0.35 0.00 -0.23 6.45 -1.32 -0.55 -0.97 115.64 118.67 2gjv s THR 128 Ca -0.00 -1.41 -0.00 0.00 -1.21 0.00 0.00 61.69 59.07 2gjv s THR 128 Cb -0.03 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 68.48 2gjv s THR 128 CO -0.00 0.00 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.09 2gjv s LEU 129 N -3.12 2.98 -0.12 9.08 2.96 -1.26 -0.99 118.68 128.20 2gjv s LEU 129 Ca 0.24 -0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 52.96 2gjv s LEU 129 Cb -0.01 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2gjv s LEU 129 CO 0.14 -0.10 1.04 0.12 -1.32 0.00 0.00 176.35 176.23 2gjv s PHE 130 N 1.28 3.43 -0.24 5.38 5.36 0.21 -4.85 117.98 128.55 2gjv s PHE 130 Ca -0.00 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 2gjv s PHE 130 Cb -0.16 -3.24 0.04 0.00 -0.34 0.00 0.00 43.02 39.31 2gjv s PHE 130 CO -0.07 -0.45 -0.10 0.42 -1.46 0.00 0.00 175.22 173.56 2gjv s ILE 131 N 2.27 2.47 0.47 3.12 1.01 -1.26 -0.86 121.20 128.42 2gjv s ILE 131 Ca 0.49 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.69 2gjv s ILE 131 Cb -0.19 -2.28 -0.07 0.00 0.01 0.00 0.00 42.46 39.93 2gjv s ILE 131 CO 0.16 0.19 1.16 0.00 0.00 0.00 0.00 174.94 176.45 2gjv s ALA 132 N 1.24 2.92 0.42 9.38 0.00 -0.85 -4.99 121.76 129.88 2gjv s ALA 132 Ca -0.02 0.92 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2gjv s ALA 132 Cb -0.17 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2gjv s ALA 132 CO -0.06 -0.69 1.37 -1.21 0.00 0.00 0.00 175.76 175.17 2gjv s GLU 133 N -2.80 3.90 0.00 0.00 0.41 -1.26 -4.93 118.70 114.02 2gjv s GLU 133 Ca 0.65 2.30 0.00 0.00 -0.41 0.00 0.00 54.97 57.52 2gjv s GLU 133 Cb -0.28 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 2gjv s GLU 133 CO 0.34 -0.60 0.38 1.04 -0.49 0.00 0.00 175.26 175.92