#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 2.85 0.05 5.41 0.00 -1.26 -4.90 121.76 123.90 2gjv s ALA 0 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.49 2gjv s ALA 0 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2gjv s ALA 0 CO 0.00 -0.63 1.20 1.41 0.00 0.00 0.00 175.76 177.74 2gjv s MET 1 N -3.00 4.43 -0.27 0.00 1.75 -1.26 -4.96 119.30 115.98 2gjv s MET 1 Ca 0.68 1.76 -0.07 0.00 -1.25 0.00 0.00 55.69 56.81 2gjv s MET 1 Cb -0.25 -3.37 -0.01 0.00 2.84 0.00 0.00 34.83 34.05 2gjv s MET 1 CO 0.29 -0.27 0.07 -1.21 -0.65 0.00 0.00 175.02 173.25 2gjv s GLU 2 N 1.17 3.38 0.21 4.11 2.02 -1.26 -5.01 118.70 123.31 2gjv s GLU 2 Ca 0.58 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.81 2gjv s GLU 2 Cb -0.29 -3.33 0.15 0.00 0.10 0.00 0.00 34.13 30.76 2gjv s GLU 2 CO 0.29 -0.31 1.88 1.15 0.02 0.00 0.00 175.26 178.28 2gjv h THR 3 N 5.70 1.19 -0.58 3.63 2.02 -1.98 -2.65 112.91 120.23 2gjv h THR 3 Ca -0.36 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2gjv h THR 3 Cb 1.15 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2gjv h THR 3 CO 0.59 0.18 0.12 0.25 0.37 0.00 0.00 175.52 177.03 2gjv h LEU 4 N 1.00 0.87 -1.19 2.58 5.85 -1.99 -2.30 115.31 120.13 2gjv h LEU 4 Ca 0.27 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2gjv h LEU 4 Cb -0.11 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 2gjv h LEU 4 CO -0.06 0.87 0.32 -1.28 -0.34 0.00 0.00 178.44 177.95 2gjv h SER 5 N 0.88 0.79 -0.28 1.25 0.87 -1.91 0.11 113.55 115.25 2gjv h SER 5 Ca 0.19 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2gjv h SER 5 Cb 0.36 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2gjv h SER 5 CO 0.00 0.66 -0.25 0.58 -0.53 0.00 0.00 176.83 177.29 2gjv h VAL 6 N 0.88 1.27 -0.59 2.23 2.07 -1.16 -0.96 116.25 119.99 2gjv h VAL 6 Ca 0.22 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 2gjv h VAL 6 Cb 0.06 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2gjv h VAL 6 CO -0.03 0.46 -0.02 0.40 0.02 0.00 0.00 177.57 178.40 2gjv h ILE 7 N 0.66 1.27 -0.50 4.57 1.08 -0.89 -2.51 117.51 121.19 2gjv h ILE 7 Ca 0.09 -1.17 -0.09 0.00 -0.39 0.00 0.00 64.86 63.29 2gjv h ILE 7 Cb 0.77 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 2gjv h ILE 7 CO 0.06 0.42 -0.05 0.45 -0.69 0.00 0.00 178.15 178.34 2gjv h HIS 8 N 0.95 1.02 -0.45 1.37 3.86 -0.58 -0.98 115.15 120.33 2gjv h HIS 8 Ca 0.16 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2gjv h HIS 8 Cb 0.58 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 2gjv h HIS 8 CO 0.04 0.96 0.29 1.15 0.86 0.00 0.00 177.93 181.24 2gjv h THR 9 N 0.78 1.10 0.02 2.45 2.02 -1.06 0.39 112.91 118.62 2gjv h THR 9 Ca 0.14 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2gjv h THR 9 Cb 0.59 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2gjv h THR 9 CO 0.04 0.11 -0.06 0.58 0.37 0.00 0.00 175.52 176.56 2gjv h VAL 10 N 0.60 0.86 0.16 3.16 2.07 -1.31 -0.32 116.25 121.47 2gjv h VAL 10 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 2gjv h VAL 10 Cb -0.05 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2gjv h VAL 10 CO -0.05 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.27 2gjv h ALA 11 N 0.86 -0.50 -0.74 1.67 0.00 -0.72 -1.59 119.26 118.24 2gjv h ALA 11 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2gjv h ALA 11 Cb 0.13 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2gjv h ALA 11 CO -0.04 -0.83 0.48 -0.97 0.00 0.00 0.00 179.25 177.89 2gjv h ASN 12 N -0.51 0.81 -0.76 0.00 -0.73 -0.08 -1.13 115.58 113.18 2gjv h ASN 12 Ca 0.02 -0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.23 2gjv h ASN 12 Cb 0.52 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 38.87 2gjv h ASN 12 CO -0.14 0.58 0.47 -0.09 -0.37 0.00 0.00 177.43 177.88 2gjv h ARG 13 N 0.96 0.85 -0.56 6.67 9.65 -0.88 -0.39 114.38 130.69 2gjv h ARG 13 Ca 0.28 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 2gjv h ARG 13 Cb -0.06 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.30 2gjv h ARG 13 CO -0.08 0.56 0.27 -0.07 2.80 0.00 0.00 179.97 183.46 2gjv h LEU 14 N 0.87 0.72 -0.83 3.80 3.38 -0.47 -2.68 115.31 120.11 2gjv h LEU 14 Ca 0.33 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2gjv h LEU 14 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2gjv h LEU 14 CO -0.15 0.64 0.07 0.03 0.09 0.00 0.00 178.44 179.12 2gjv h ARG 15 N 0.75 0.94 -0.27 1.13 3.08 -0.51 -0.10 114.38 119.40 2gjv h ARG 15 Ca 0.19 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2gjv h ARG 15 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2gjv h ARG 15 CO -0.03 0.89 -0.25 0.93 -1.07 0.00 0.00 179.97 180.45 2gjv h GLU 16 N 0.89 0.53 0.00 0.04 5.08 -1.04 -3.16 114.58 116.91 2gjv h GLU 16 Ca 0.18 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2gjv h GLU 16 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2gjv h GLU 16 CO 0.01 0.74 -0.92 1.28 -1.00 0.00 0.00 179.01 179.12 2gjv n LEU 17 N -4.12 0.65 -3.25 1.33 4.77 -1.02 -4.67 117.00 110.71 2gjv n LEU 17 Ca -0.00 -0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 2gjv n LEU 17 Cb 0.41 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2gjv n LEU 17 CO 0.42 0.10 -0.28 0.59 -1.33 0.00 0.00 177.39 176.89 2gjv n ASN 18 N -1.79 -0.31 0.28 -1.43 3.02 -0.06 -5.00 115.26 109.98 2gjv n ASN 18 Ca 0.03 -2.59 0.16 0.00 -0.03 0.00 0.00 54.58 52.15 2gjv n ASN 18 Cb 0.40 -0.45 0.82 0.00 -0.61 0.00 0.00 39.78 39.94 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 4.69 0.00 -0.01 3.52 0.13 -1.80 -2.45 132.00 136.09 2gjv h PRO 19 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2gjv h PRO 19 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2gjv h PRO 19 CO 0.41 0.07 -0.12 -0.25 -0.23 0.00 0.00 178.00 177.88 2gjv n ASP 20 N -3.43 1.14 -4.86 1.44 8.00 -1.26 -4.85 116.55 112.73 2gjv n ASP 20 Ca -0.02 -1.13 -0.33 0.00 0.71 0.00 0.00 54.79 54.02 2gjv n ASP 20 Cb 0.21 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.26 3.92 -0.64 -1.24 -1.94 -0.92 -3.97 119.30 112.25 2gjv s MET 21 Ca 0.32 0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 54.66 2gjv s MET 21 Cb 0.20 -2.64 0.17 0.00 2.01 0.00 0.00 34.83 34.57 2gjv s MET 21 CO 0.43 0.30 0.55 0.34 -0.01 0.00 0.00 175.02 176.63 2gjv s ASP 22 N -2.18 6.14 -0.21 3.03 2.15 0.11 -4.96 116.67 120.75 2gjv s ASP 22 Ca 0.48 -2.32 -0.13 0.00 0.43 0.00 0.00 52.55 51.00 2gjv s ASP 22 Cb -0.12 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.35 2gjv s ASP 22 CO 0.20 -0.64 0.27 -0.63 -0.17 0.00 0.00 175.17 174.20 2gjv s ILE 23 N 0.75 5.29 0.16 4.11 1.01 -1.26 -1.80 121.20 129.45 2gjv s ILE 23 Ca 0.11 0.45 0.05 0.00 0.00 0.00 0.00 60.65 61.26 2gjv s ILE 23 Cb -0.20 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2gjv s ILE 23 CO -0.03 0.32 -0.11 -1.00 0.00 0.00 0.00 174.94 174.11 2gjv s HIS 24 N 1.06 1.37 -0.34 3.97 3.76 0.23 -4.98 115.29 120.36 2gjv s HIS 24 Ca 0.13 -0.70 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 2gjv s HIS 24 Cb -0.14 -0.68 0.10 0.00 1.11 0.00 0.00 32.58 32.97 2gjv s HIS 24 CO 0.05 0.15 0.07 0.42 -0.85 0.00 0.00 174.74 174.58 2gjv s ILE 25 N -3.15 1.97 0.27 0.60 1.01 -1.26 -0.17 121.20 120.49 2gjv s ILE 25 Ca 0.17 -2.19 0.10 0.00 0.00 0.00 0.00 60.65 58.74 2gjv s ILE 25 Cb 0.01 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2gjv s ILE 25 CO 0.02 -0.63 -0.06 -0.55 0.00 0.00 0.00 174.94 173.72 2gjv s SER 26 N 1.00 4.23 0.00 3.58 0.15 -1.26 -5.01 113.70 116.39 2gjv s SER 26 Ca 0.11 -0.78 0.26 0.00 0.70 0.00 0.00 55.95 56.23 2gjv s SER 26 Cb -0.19 -0.66 0.55 0.00 -1.71 0.00 0.00 66.02 64.02 2gjv s SER 26 CO -0.11 -0.00 1.45 -1.54 1.20 0.00 0.00 173.24 174.24 2gjv n SER 27 N -0.81 1.97 -4.79 5.45 3.41 -1.26 -4.87 113.62 112.72 2gjv n SER 27 Ca -0.06 -1.55 -0.38 0.00 -0.26 0.00 0.00 58.87 56.62 2gjv n SER 27 Cb 0.59 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.59 2gjv n SER 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gjv s THR 28 N -2.17 4.99 0.16 6.66 2.01 -1.26 -5.03 115.64 121.00 2gjv s THR 28 Ca 0.29 1.02 -0.32 0.00 0.31 0.00 0.00 61.69 62.99 2gjv s THR 28 Cb 0.20 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 2gjv s THR 28 CO 0.40 0.48 1.59 -0.62 -0.69 0.00 0.00 174.62 175.78 2gjv s ASP 29 N -0.49 6.57 0.00 3.53 -1.08 -1.26 -4.84 116.67 119.09 2gjv s ASP 29 Ca 0.27 2.63 0.00 0.00 -0.52 0.00 0.00 52.55 54.93 2gjv s ASP 29 Cb -0.17 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2gjv s ASP 29 CO 0.14 -0.85 0.94 0.00 0.52 0.00 0.00 175.17 175.93 2gjv n ALA 30 N 4.14 1.04 0.14 3.66 0.00 -1.26 -1.46 120.51 126.77 2gjv n ALA 30 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.58 2gjv n ALA 30 Cb 0.38 -0.99 0.16 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.37 116.57 114.88 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 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2gjv h LYS 31 CO 0.00 0.62 -0.53 1.33 -2.27 0.00 0.00 179.45 178.60 2gjv n VAL 32 N -3.65 0.00 -1.66 2.00 0.24 -0.54 -4.55 118.33 110.16 2gjv n VAL 32 Ca -0.01 -0.19 -0.52 0.00 -2.04 0.00 0.00 64.34 61.58 2gjv n VAL 32 Cb 0.65 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.17 2.00 -3.53 6.34 9.36 -0.82 -4.96 117.16 124.38 2gjv n TYR 33 Ca 0.00 0.41 -0.41 0.00 3.32 0.00 0.00 57.90 61.21 2gjv n TYR 33 Cb 0.00 -2.48 -0.11 0.00 -0.63 0.00 0.00 39.34 36.12 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 2.39 5.06 0.57 2.97 1.01 -1.26 -5.02 121.20 126.92 2gjv s ILE 34 Ca 0.90 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 2gjv s ILE 34 Cb -0.90 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2gjv s ILE 34 CO 0.53 -0.18 1.11 -2.84 0.00 0.00 0.00 174.94 173.57 2gjv s PRO 35 N 1.66 3.24 0.00 2.79 0.02 -1.26 -5.05 135.00 136.40 2gjv s PRO 35 Ca 0.05 1.50 0.08 0.00 0.02 0.00 0.00 61.00 62.64 2gjv s PRO 35 Cb -0.18 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 2gjv s PRO 35 CO 0.09 -0.91 -0.24 0.95 -0.33 0.00 0.00 177.00 176.55 2gjv s THR 36 N -1.99 2.26 0.00 0.99 -4.23 -1.26 -5.05 115.64 106.36 2gjv s THR 36 Ca 0.70 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2gjv s THR 36 Cb -0.22 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2gjv s THR 36 CO 0.31 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 2gjv n GLY 37 N 2.15 0.82 0.04 3.99 0.00 -1.26 -4.82 105.19 106.10 2gjv n GLY 37 Ca -0.16 -2.00 0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 1.08 0.59 -1.32 1.61 1.13 -1.26 -4.98 117.38 114.23 2gjv n GLN 38 Ca 0.00 -0.10 -0.35 0.00 -1.94 0.00 0.00 57.00 54.61 2gjv n GLN 38 Cb 0.00 -1.60 0.10 0.00 0.11 0.00 0.00 30.24 28.85 2gjv n GLN 38 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2gjv n GLN 39 N -2.31 0.47 -2.21 -1.09 6.02 -1.26 -4.94 117.38 112.06 2gjv n GLN 39 Ca -0.02 0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 2gjv n GLN 39 Cb 0.55 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.47 2gjv n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2gjv s VAL 40 N -1.86 3.37 -0.12 5.09 1.01 -1.25 -4.82 120.40 121.81 2gjv s VAL 40 Ca 0.74 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.71 2gjv s VAL 40 Cb -0.33 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2gjv s VAL 40 CO 0.50 0.10 -0.02 -0.89 0.00 0.00 0.00 175.10 174.78 2gjv s THR 41 N 0.82 4.06 -0.11 3.92 2.01 -1.18 0.05 115.64 125.21 2gjv s THR 41 Ca 0.62 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.31 2gjv s THR 41 Cb -0.36 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.43 2gjv s THR 41 CO 0.32 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.96 2gjv s VAL 42 N -0.27 1.47 -0.17 3.82 1.01 -0.75 -0.52 120.40 125.00 2gjv s VAL 42 Ca 0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2gjv s VAL 42 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2gjv s VAL 42 CO 0.02 0.44 0.04 -0.76 0.00 0.00 0.00 175.10 174.84 2gjv s LEU 43 N 1.04 3.69 -0.14 3.92 1.43 -0.26 -0.60 118.68 127.75 2gjv s LEU 43 Ca -0.06 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2gjv s LEU 43 Cb -0.15 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2gjv s LEU 43 CO -0.02 0.19 0.03 -0.63 0.23 0.00 0.00 176.35 176.15 2gjv s ILE 44 N 0.24 4.50 -0.03 -0.59 1.01 0.77 -0.28 121.20 126.81 2gjv s ILE 44 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2gjv s ILE 44 Cb -0.13 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2gjv s ILE 44 CO 0.01 0.53 0.08 -2.28 0.00 0.00 0.00 174.94 173.28 2gjv s HIS 45 N -0.19 -0.09 -0.40 3.97 2.46 -0.37 -4.10 115.29 116.57 2gjv s HIS 45 Ca 0.06 0.24 -0.22 0.00 0.47 0.00 0.00 55.06 55.61 2gjv s HIS 45 Cb -0.12 -0.00 0.01 0.00 -0.13 0.00 0.00 32.58 32.34 2gjv s HIS 45 CO 0.02 -0.06 0.70 -0.47 -2.47 0.00 0.00 174.74 172.46 2gjv s TYR 46 N 0.24 3.08 0.08 3.88 5.04 -1.26 -1.04 117.35 127.38 2gjv s TYR 46 Ca -0.02 0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.74 2gjv s TYR 46 Cb -0.03 -3.37 -0.22 0.00 0.35 0.00 0.00 41.96 38.69 2gjv s TYR 46 CO -0.01 -0.80 1.19 0.00 -1.34 0.00 0.00 175.55 174.59 2gjv n GLY 48 N 1.17 0.37 3.12 0.00 0.00 -1.20 -4.99 105.19 103.68 2gjv n GLY 48 Ca -0.11 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.13 0.89 -0.06 1.61 0.01 -1.26 -0.35 113.70 113.40 2gjv s SER 49 Ca 0.00 -0.90 0.05 0.00 1.31 0.00 0.00 55.95 56.41 2gjv s SER 49 Cb 0.00 0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 2gjv s SER 49 CO 0.00 -0.44 -0.22 -0.69 0.41 0.00 0.00 173.24 172.30 2gjv s VAL 50 N -3.19 1.83 -0.20 3.43 1.01 -0.47 -4.98 120.40 117.84 2gjv s VAL 50 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2gjv s VAL 50 Cb 0.02 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2gjv s VAL 50 CO -0.05 0.51 -0.07 -0.36 0.00 0.00 0.00 175.10 175.14 2gjv s PHE 51 N 0.06 2.93 0.65 5.22 0.08 -1.26 -1.25 117.98 124.41 2gjv s PHE 51 Ca -0.08 -0.89 -0.13 0.00 0.12 0.00 0.00 56.93 55.95 2gjv s PHE 51 Cb -0.14 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2gjv s PHE 51 CO 0.05 -0.47 1.06 0.00 -0.10 0.00 0.00 175.22 175.75 2gjv s ALA 52 N 1.20 2.72 0.61 5.36 0.00 0.30 -4.95 121.76 127.00 2gjv s ALA 52 Ca 0.02 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2gjv s ALA 52 Cb -0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2gjv s ALA 52 CO -0.02 -1.02 1.19 -1.21 0.00 0.00 0.00 175.76 174.70 2gjv s GLU 53 N -4.62 2.93 0.02 0.00 2.02 -1.26 -4.07 118.70 113.71 2gjv s GLU 53 Ca 0.60 1.74 -0.33 0.00 0.02 0.00 0.00 54.97 57.01 2gjv s GLU 53 Cb -0.15 -1.93 -0.11 0.00 0.10 0.00 0.00 34.13 32.04 2gjv s GLU 53 CO 0.47 -1.21 1.84 -2.30 0.02 0.00 0.00 175.26 174.07 2gjv n PRO 54 N -1.74 2.41 -1.87 0.39 -0.02 -1.26 -4.72 135.00 128.20 2gjv n PRO 54 Ca 0.13 0.88 -0.22 0.00 -2.02 0.00 0.00 63.50 62.27 2gjv n PRO 54 Cb 0.50 -2.74 -0.08 0.00 -0.02 0.00 0.00 33.50 31.15 2gjv n PRO 54 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2gjv s GLU 55 N 3.35 1.91 -1.70 -0.52 2.02 -1.26 -4.28 118.70 118.23 2gjv s GLU 55 Ca 0.88 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 54.85 2gjv s GLU 55 Cb -0.61 -5.13 0.14 0.00 0.10 0.00 0.00 34.13 28.64 2gjv s GLU 55 CO 0.45 -4.67 0.61 0.09 0.02 0.00 0.00 175.26 171.77 2gjv n ASN 56 N 16.72 -2.12 -4.28 -0.19 4.13 -1.26 -4.96 115.26 123.31 2gjv n ASN 56 Ca 0.43 -1.10 -0.24 0.00 1.68 0.00 0.00 54.58 55.36 2gjv n ASN 56 Cb 0.47 -2.38 -0.13 0.00 -1.54 0.00 0.00 39.78 36.20 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 1.69 -0.47 3.41 -4.23 -1.26 -5.04 115.64 106.25 2gjv s THR 57 Ca 0.60 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2gjv s THR 57 Cb -0.33 -1.53 0.22 0.00 1.34 0.00 0.00 72.50 72.19 2gjv s THR 57 CO 0.96 -0.04 2.28 -0.90 -0.54 0.00 0.00 174.62 176.38 2gjv n ASP 58 N 1.17 6.79 -3.72 3.99 5.68 -1.26 -4.77 116.55 124.43 2gjv n ASP 58 Ca -0.19 -3.31 -0.12 0.00 -0.50 0.00 0.00 54.79 50.67 2gjv n ASP 58 Cb 0.54 -1.10 -0.13 0.00 -1.14 0.00 0.00 41.12 39.28 2gjv n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gjv s ALA 59 N -2.34 -0.66 -0.86 2.12 0.00 -1.26 -5.09 121.76 113.67 2gjv s ALA 59 Ca 0.48 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 2gjv s ALA 59 Cb 0.35 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.82 2gjv s ALA 59 CO -0.12 -0.21 1.36 0.99 0.00 0.00 0.00 175.76 177.79 2gjv s THR 60 N 1.29 3.80 -0.08 0.00 2.01 -1.26 -4.90 115.64 116.49 2gjv s THR 60 Ca -0.09 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2gjv s THR 60 Cb -0.10 -4.96 0.02 0.00 0.01 0.00 0.00 72.50 67.48 2gjv s THR 60 CO -0.09 -1.87 -0.06 -0.69 -0.69 0.00 0.00 174.62 171.22 2gjv s VAL 61 N 5.51 0.77 -0.05 3.82 1.01 -1.26 -2.43 120.40 127.78 2gjv s VAL 61 Ca 0.40 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2gjv s VAL 61 Cb -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2gjv s VAL 61 CO 0.05 0.31 -0.07 -1.10 0.00 0.00 0.00 175.10 174.29 2gjv s GLN 62 N 1.43 1.05 0.13 2.72 -0.21 -0.07 -4.04 119.66 120.67 2gjv s GLN 62 Ca -0.02 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 54.86 2gjv s GLN 62 Cb -0.13 -0.97 -0.08 0.00 1.00 0.00 0.00 33.01 32.83 2gjv s GLN 62 CO -0.04 -0.04 1.35 0.15 -2.12 0.00 0.00 175.29 174.60 2gjv s LYS 63 N 0.78 4.35 -0.14 2.91 1.02 -1.26 -0.85 119.74 126.55 2gjv s LYS 63 Ca -0.12 2.04 0.02 0.00 0.02 0.00 0.00 55.97 57.93 2gjv s LYS 63 Cb -0.14 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2gjv s LYS 63 CO 0.01 -0.38 -0.20 -1.14 -0.92 0.00 0.00 175.35 172.73 2gjv s GLN 64 N 0.81 3.11 -0.29 1.68 0.74 0.79 -0.53 119.66 125.96 2gjv s GLN 64 Ca 0.62 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 55.16 2gjv s GLN 64 Cb -0.36 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.28 2gjv s GLN 64 CO 0.32 0.05 0.05 -1.17 -0.55 0.00 0.00 175.29 173.99 2gjv s LEU 65 N 0.70 3.80 -0.17 3.68 2.96 -0.38 -1.03 118.68 128.24 2gjv s LEU 65 Ca -0.09 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 52.83 2gjv s LEU 65 Cb -0.16 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2gjv s LEU 65 CO 0.01 -0.21 0.31 -0.63 -1.32 0.00 0.00 176.35 174.51 2gjv s ILE 66 N 1.43 5.29 -0.15 6.68 1.01 -0.31 -1.37 121.20 133.78 2gjv s ILE 66 Ca 0.01 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 2gjv s ILE 66 Cb -0.18 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2gjv s ILE 66 CO 0.01 0.35 0.03 -0.13 0.00 0.00 0.00 174.94 175.20 2gjv s ARG 67 N 0.70 3.62 -0.02 2.79 0.52 0.53 -1.80 118.95 125.29 2gjv s ARG 67 Ca 0.17 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2gjv s ARG 67 Cb -0.13 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.32 2gjv s ARG 67 CO 0.05 0.40 0.00 0.42 0.02 0.00 0.00 175.30 176.19 2gjv s ILE 68 N -0.03 0.10 0.07 1.52 1.01 -0.58 -1.21 121.20 122.08 2gjv s ILE 68 Ca 0.04 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2gjv s ILE 68 Cb -0.13 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 2gjv s ILE 68 CO 0.02 0.09 -0.10 -0.94 0.00 0.00 0.00 174.94 174.01 2gjv s SER 69 N 0.68 4.37 -0.17 3.58 1.04 -0.20 -0.19 113.70 122.81 2gjv s SER 69 Ca -0.06 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2gjv s SER 69 Cb -0.09 -0.86 0.03 0.00 0.10 0.00 0.00 66.02 65.20 2gjv s SER 69 CO -0.02 0.21 -0.11 0.00 0.98 0.00 0.00 173.24 174.31 2gjv s ALA 70 N -1.13 1.82 -0.20 5.32 0.00 0.32 -1.24 121.76 126.65 2gjv s ALA 70 Ca 0.20 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2gjv s ALA 70 Cb -0.11 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 2gjv s ALA 70 CO 0.11 -0.60 -0.08 0.99 0.00 0.00 0.00 175.76 176.18 2gjv s THR 71 N 1.49 3.11 0.12 0.00 2.01 0.61 -0.13 115.64 122.84 2gjv s THR 71 Ca 0.02 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 2gjv s THR 71 Cb -0.14 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 2gjv s THR 71 CO -0.09 0.46 0.92 -0.69 -0.69 0.00 0.00 174.62 174.53 2gjv s VAL 72 N 1.31 4.48 -0.28 3.82 1.01 0.81 -1.11 120.40 130.44 2gjv s VAL 72 Ca 0.04 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 2gjv s VAL 72 Cb -0.14 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.04 2gjv s VAL 72 CO -0.04 0.35 0.07 -0.63 0.00 0.00 0.00 175.10 174.85 2gjv s ILE 73 N -0.18 0.98 0.00 2.22 1.01 0.33 -2.02 121.20 123.54 2gjv s ILE 73 Ca 0.45 -1.29 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2gjv s ILE 73 Cb -0.23 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 2gjv s ILE 73 CO 0.29 -0.52 0.00 -0.69 0.00 0.00 0.00 174.94 174.02 2gjv s VAL 74 N 1.59 0.01 0.17 2.92 1.01 -0.28 -3.13 120.40 122.69 2gjv s VAL 74 Ca 0.06 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2gjv s VAL 74 Cb -0.18 -0.04 0.07 0.00 0.00 0.00 0.00 36.38 36.23 2gjv s VAL 74 CO -0.19 -0.05 1.71 -0.65 0.00 0.00 0.00 175.10 175.92 2gjv h PRO 75 N 5.99 0.13 -6.07 2.72 0.11 -1.84 0.93 132.00 133.97 2gjv h PRO 75 Ca -0.25 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.25 2gjv h PRO 75 Cb 1.21 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 2gjv h PRO 75 CO 0.50 0.09 -0.18 -0.65 -0.21 0.00 0.00 178.00 177.55 2gjv s GLN 76 N -6.17 3.94 0.22 1.05 -1.52 -1.26 -4.03 119.66 111.89 2gjv s GLN 76 Ca -0.13 0.44 -0.09 0.00 -1.95 0.00 0.00 55.36 53.62 2gjv s GLN 76 Cb 0.14 -3.18 0.19 0.00 -0.22 0.00 0.00 33.01 29.94 2gjv s GLN 76 CO 0.71 0.66 1.89 0.97 -0.25 0.00 0.00 175.29 179.27 2gjv h ILE 77 N 3.55 1.19 -0.18 1.08 6.09 -1.96 -2.12 117.51 125.17 2gjv h ILE 77 Ca -0.51 -0.37 -0.12 0.00 -1.37 0.00 0.00 64.86 62.49 2gjv h ILE 77 Cb 1.22 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 2gjv h ILE 77 CO 0.62 0.20 -0.41 0.77 -3.07 0.00 0.00 178.15 176.26 2gjv h SER 78 N 1.08 0.43 -0.29 2.19 4.64 -1.97 -2.01 113.55 117.61 2gjv h SER 78 Ca 0.30 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2gjv h SER 78 Cb -0.10 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2gjv h SER 78 CO -0.08 0.79 -0.37 0.44 -0.87 0.00 0.00 176.83 176.74 2gjv h ASP 79 N 0.33 0.88 -0.67 4.97 3.32 -1.89 -1.88 116.42 121.48 2gjv h ASP 79 Ca 0.03 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 2gjv h ASP 79 Cb 0.87 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2gjv h ASP 79 CO 0.07 1.15 0.26 0.00 -1.72 0.00 0.00 179.24 179.01 2gjv h ALA 80 N 0.89 0.87 -0.43 3.45 0.00 -1.21 -1.21 119.26 121.62 2gjv h ALA 80 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2gjv h ALA 80 Cb 0.94 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2gjv h ALA 80 CO 0.09 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.63 2gjv h ILE 81 N 0.95 1.26 -0.58 0.00 2.04 -1.31 -1.06 117.51 118.81 2gjv h ILE 81 Ca 0.22 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 2gjv h ILE 81 Cb 0.21 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 2gjv h ILE 81 CO -0.02 0.37 0.15 0.78 0.00 0.00 0.00 178.15 179.43 2gjv h ASN 82 N 0.62 0.84 0.91 1.72 2.35 -1.24 -2.49 115.58 118.28 2gjv h ASN 82 Ca 0.12 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 2gjv h ASN 82 Cb 0.52 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2gjv h ASN 82 CO 0.03 0.81 -0.36 0.00 -1.65 0.00 0.00 177.43 176.25 2gjv h ALA 83 N 1.30 0.97 -0.39 -0.83 0.00 -0.90 -2.27 119.26 117.14 2gjv h ALA 83 Ca 0.19 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2gjv h ALA 83 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2gjv h ALA 83 CO -0.00 0.46 -0.34 1.25 0.00 0.00 0.00 179.25 180.61 2gjv h LEU 84 N 0.00 0.98 -0.87 0.00 5.85 -0.89 -1.13 115.31 119.24 2gjv h LEU 84 Ca -0.00 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2gjv h LEU 84 Cb 0.92 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2gjv h LEU 84 CO 0.05 1.23 0.44 0.44 -0.34 0.00 0.00 178.44 180.25 2gjv h ASP 85 N 0.74 1.13 -0.37 1.25 5.19 -1.14 -1.82 116.42 121.40 2gjv h ASP 85 Ca 0.07 -0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.25 2gjv h ASP 85 Cb 0.93 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2gjv h ASP 85 CO 0.09 0.93 -0.13 0.03 -3.12 0.00 0.00 179.24 177.04 2gjv h ARG 86 N 1.24 0.82 0.45 3.56 2.47 -1.14 -1.51 114.38 120.26 2gjv h ARG 86 Ca 0.30 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2gjv h ARG 86 Cb 0.09 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2gjv h ARG 86 CO -0.04 0.90 -0.22 -0.07 0.56 0.00 0.00 179.97 181.11 2gjv h LEU 87 N 0.73 -0.51 -0.76 3.04 3.38 -0.86 -1.69 115.31 118.64 2gjv h LEU 87 Ca 0.12 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2gjv h LEU 87 Cb 0.63 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2gjv h LEU 87 CO 0.04 -0.31 0.44 -0.09 0.09 0.00 0.00 178.44 178.61 2gjv h ARG 88 N -0.68 0.75 -0.05 1.13 2.43 -1.30 0.16 114.38 116.82 2gjv h ARG 88 Ca -0.06 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 2gjv h ARG 88 Cb 0.50 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2gjv h ARG 88 CO 0.10 0.50 -0.48 -0.09 -1.51 0.00 0.00 179.97 178.49 2gjv h ARG 89 N 0.78 0.12 0.06 0.20 2.43 -1.27 -1.76 114.38 114.94 2gjv h ARG 89 Ca 0.35 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 59.18 2gjv h ARG 89 Cb 0.25 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2gjv h ARG 89 CO -0.21 0.58 -1.14 0.77 -1.51 0.00 0.00 179.97 178.46 2gjv h SER 90 N 0.10 0.90 0.18 -3.80 0.02 -0.79 -3.40 113.55 106.75 2gjv h SER 90 Ca 0.00 -0.78 -0.35 0.00 -0.84 0.00 0.00 61.79 59.82 2gjv h SER 90 Cb 0.89 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 2gjv h SER 90 CO 0.07 1.57 -2.11 0.18 -1.14 0.00 0.00 176.83 175.40 2gjv n LEU 91 N -3.83 1.42 -4.68 5.07 4.77 0.51 -4.85 117.00 115.41 2gjv n LEU 91 Ca -0.12 0.15 -0.46 0.00 -0.03 0.00 0.00 56.01 55.55 2gjv n LEU 91 Cb 0.93 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 2gjv n LEU 91 CO 0.57 0.63 1.36 0.61 -1.33 0.00 0.00 177.39 179.23 2gjv n GLY 92 N 1.84 1.37 2.28 -0.72 0.00 -0.67 -3.00 105.19 106.30 2gjv n GLY 92 Ca -0.30 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 3.94 0.43 3.85 -0.02 0.00 0.60 -4.98 105.19 109.01 2gjv n GLY 93 Ca 0.19 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.78 4.59 0.45 -0.61 -4.36 -1.16 -4.54 121.20 113.77 2gjv s ILE 94 Ca 0.00 1.11 -0.18 0.00 -0.26 0.00 0.00 60.65 61.32 2gjv s ILE 94 Cb 0.00 -3.76 -0.09 0.00 1.25 0.00 0.00 42.46 39.86 2gjv s ILE 94 CO 0.00 -0.80 0.93 -1.61 0.24 0.00 0.00 174.94 173.70 2gjv s GLU 95 N -4.33 4.08 0.04 0.37 0.41 -1.26 -0.77 118.70 117.23 2gjv s GLU 95 Ca 0.58 0.97 0.06 0.00 -0.41 0.00 0.00 54.97 56.17 2gjv s GLU 95 Cb -0.10 -2.21 -0.02 0.00 -1.78 0.00 0.00 34.13 30.02 2gjv s GLU 95 CO 0.37 -0.09 -0.18 -0.51 -0.49 0.00 0.00 175.26 174.35 2gjv s LEU 96 N -3.52 2.16 0.13 1.80 1.43 -1.26 -4.91 118.68 114.51 2gjv s LEU 96 Ca 0.59 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.90 2gjv s LEU 96 Cb -0.10 -0.82 -0.10 0.00 0.03 0.00 0.00 46.19 45.20 2gjv s LEU 96 CO 0.21 0.12 1.63 -2.16 0.23 0.00 0.00 176.35 176.38 2gjv s PRO 97 N -1.11 4.20 -1.60 1.29 0.04 -1.26 -2.83 135.00 133.73 2gjv s PRO 97 Ca 0.05 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2gjv s PRO 97 Cb -0.08 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2gjv s PRO 97 CO 0.01 -0.68 0.00 -0.25 0.04 0.00 0.00 177.00 176.12 2gjv n ASP 98 N 4.66 -4.96 -4.76 6.66 8.00 -1.26 -4.77 116.55 120.12 2gjv n ASP 98 Ca 0.15 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.55 2gjv n ASP 98 Cb 0.39 -3.98 -0.07 0.00 -0.02 0.00 0.00 41.12 37.43 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 0.91 1.26 -3.76 0.00 5.68 -0.26 -4.87 116.55 115.52 2gjv n ASP 100 Ca -0.11 -1.50 -0.07 0.00 -0.50 0.00 0.00 54.79 52.60 2gjv n ASP 100 Cb 0.52 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 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 -1.93 1.83 1.01 0.11 1.70 -1.26 -5.07 118.95 115.34 2gjv s ARG 101 Ca 0.36 -1.06 -0.12 0.00 -0.47 0.00 0.00 55.73 54.44 2gjv s ARG 101 Cb 0.19 0.60 0.19 0.00 -0.57 0.00 0.00 34.95 35.37 2gjv s ARG 101 CO 0.30 -0.83 1.09 -2.14 -1.08 0.00 0.00 175.30 172.64 2gjv s PRO 102 N -3.74 0.34 0.09 3.89 0.02 -1.26 -4.60 135.00 129.74 2gjv s PRO 102 Ca 0.12 0.51 -0.31 0.00 0.02 0.00 0.00 61.00 61.34 2gjv s PRO 102 Cb -0.06 -1.73 -0.07 0.00 0.02 0.00 0.00 34.50 32.67 2gjv s PRO 102 CO 0.08 -2.79 1.29 -1.17 -0.33 0.00 0.00 177.00 174.07 2gjv s LEU 103 N -6.49 4.37 -0.07 -5.54 2.96 0.06 -4.75 118.68 109.21 2gjv s LEU 103 Ca 0.65 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.74 2gjv s LEU 103 Cb -0.19 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 2gjv s LEU 103 CO 0.58 -0.55 -0.07 0.26 -1.32 0.00 0.00 176.35 175.25 2gjv s TRP 104 N 1.01 2.94 0.36 5.38 0.51 -0.43 -0.29 118.94 128.42 2gjv s TRP 104 Ca 0.61 0.00 -0.25 0.00 -2.12 0.00 0.00 56.10 54.34 2gjv s TRP 104 Cb -0.33 -1.73 -0.09 0.00 -0.81 0.00 0.00 33.47 30.51 2gjv s TRP 104 CO 0.30 0.31 1.04 -0.51 -0.51 0.00 0.00 176.95 177.58 2gjv s LEU 105 N -0.74 4.26 -0.06 2.99 1.43 -1.26 -0.75 118.68 124.56 2gjv s LEU 105 Ca 0.11 2.05 -0.06 0.00 -1.03 0.00 0.00 54.13 55.21 2gjv s LEU 105 Cb -0.11 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 2gjv s LEU 105 CO 0.02 -0.35 -0.13 1.21 0.23 0.00 0.00 176.35 177.34 2gjv n GLU 106 N 0.30 0.20 -3.79 1.70 2.13 0.36 -4.82 120.64 116.72 2gjv n GLU 106 Ca 0.03 0.08 -0.05 0.00 0.66 0.00 0.00 57.16 57.89 2gjv n GLU 106 Cb 0.49 -0.84 -0.02 0.00 0.27 0.00 0.00 31.44 31.34 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 -5.92 -0.21 -0.02 4.31 1.04 -0.99 -5.01 113.70 106.91 2gjv s SER 107 Ca -0.12 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2gjv s SER 107 Cb 0.04 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 2gjv s SER 107 CO 0.16 -1.07 -0.14 -1.61 0.98 0.00 0.00 173.24 171.57 2gjv s GLU 108 N -3.52 1.19 -0.01 4.02 2.02 -1.26 -0.41 118.70 120.73 2gjv s GLU 108 Ca 0.12 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 2gjv s GLU 108 Cb -0.03 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.07 2gjv s GLU 108 CO 0.04 0.27 0.03 0.15 0.02 0.00 0.00 175.26 175.76 2gjv s LYS 109 N -0.21 0.03 0.17 1.61 1.02 -0.35 -4.99 119.74 117.03 2gjv s LYS 109 Ca 0.03 0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 2gjv s LYS 109 Cb -0.07 0.02 -0.08 0.00 -0.52 0.00 0.00 37.83 37.18 2gjv s LYS 109 CO -0.00 -0.00 1.23 -0.47 -0.92 0.00 0.00 175.35 175.18 2gjv s TYR 110 N -0.00 3.38 -0.25 3.18 5.04 -1.26 -0.43 117.35 127.01 2gjv s TYR 110 Ca -0.00 1.35 -0.07 0.00 -2.44 0.00 0.00 57.07 55.91 2gjv s TYR 110 Cb -0.00 -3.48 -0.13 0.00 0.35 0.00 0.00 41.96 38.70 2gjv s TYR 110 CO 0.00 -1.40 -0.28 -0.89 -1.34 0.00 0.00 175.55 171.64 2gjv n ILE 111 N 2.71 1.38 -2.75 3.14 2.08 0.34 -4.90 119.36 121.36 2gjv n ILE 111 Ca 0.05 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.95 2gjv n ILE 111 Cb 0.44 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 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 1.76 -1.88 1.06 7.39 0.00 -1.21 -5.01 105.19 107.30 2gjv n GLY 112 Ca -0.47 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.33 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 2.99 1.22 -4.70 1.61 2.03 -1.26 -1.35 116.55 117.10 2gjv n ASP 113 Ca 0.00 -2.68 -0.43 0.00 0.52 0.00 0.00 54.79 52.20 2gjv n ASP 113 Cb 0.00 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 2gjv n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gjv n ALA 114 N -0.16 1.43 -2.28 -1.67 0.00 -1.24 -2.23 120.51 114.36 2gjv n ALA 114 Ca 0.10 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.72 2gjv n ALA 114 Cb 0.94 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 0.92 -0.59 -2.54 0.00 0.00 -1.26 -2.04 120.51 115.00 2gjv n ALA 115 Ca 0.07 0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.52 2gjv n ALA 115 Cb 0.35 -2.09 0.01 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.88 -4.95 -4.10 0.00 5.03 -0.95 -5.02 115.26 103.41 2gjv n ASN 116 Ca -0.23 -0.11 -0.31 0.00 0.87 0.00 0.00 54.58 54.80 2gjv n ASN 116 Cb 0.67 -3.94 -0.16 0.00 -1.02 0.00 0.00 39.78 35.33 2gjv n ASN 116 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2gjv s PHE 117 N -2.91 2.47 0.10 3.10 0.40 -0.87 -4.43 117.98 115.84 2gjv s PHE 117 Ca 0.10 -1.34 -0.30 0.00 -0.60 0.00 0.00 56.93 54.79 2gjv s PHE 117 Cb -0.05 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 2gjv s PHE 117 CO 0.13 -0.66 0.99 0.00 0.70 0.00 0.00 175.22 176.37 2gjv s ARG 119 N 0.20 1.78 -0.01 0.00 0.52 -0.45 -1.13 118.95 119.85 2gjv s ARG 119 Ca 0.49 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.30 2gjv s ARG 119 Cb -0.24 -1.52 -0.00 0.00 0.52 0.00 0.00 34.95 33.71 2gjv s ARG 119 CO 0.30 -0.02 -0.07 0.71 0.02 0.00 0.00 175.30 176.23 2gjv s TYR 120 N 0.85 0.68 -0.05 -0.53 1.51 -0.86 -0.50 117.35 118.46 2gjv s TYR 120 Ca -0.11 -0.14 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2gjv s TYR 120 Cb -0.15 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 2gjv s TYR 120 CO 0.01 -0.03 -0.15 0.00 -1.11 0.00 0.00 175.55 174.27 2gjv s ALA 121 N -0.04 2.63 -0.24 3.71 0.00 0.43 -0.14 121.76 128.11 2gjv s ALA 121 Ca 0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 2gjv s ALA 121 Cb -0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2gjv s ALA 121 CO -0.00 0.55 0.06 -1.17 0.00 0.00 0.00 175.76 175.20 2gjv s LEU 122 N -0.73 3.41 -0.17 0.00 2.96 0.81 -1.21 118.68 123.76 2gjv s LEU 122 Ca 0.11 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 2gjv s LEU 122 Cb -0.11 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 2gjv s LEU 122 CO 0.00 -0.02 0.16 -1.81 -1.32 0.00 0.00 176.35 173.36 2gjv s ASP 123 N 1.54 6.31 0.14 3.68 1.01 0.45 -0.52 116.67 129.28 2gjv s ASP 123 Ca 0.06 0.36 0.03 0.00 0.71 0.00 0.00 52.55 53.70 2gjv s ASP 123 Cb -0.15 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2gjv s ASP 123 CO 0.03 0.24 -0.06 -0.04 0.21 0.00 0.00 175.17 175.55 2gjv s MET 124 N -0.06 1.00 -0.00 8.23 -1.94 0.74 -0.49 119.30 126.77 2gjv s MET 124 Ca 0.12 -1.44 0.03 0.00 -1.71 0.00 0.00 55.69 52.69 2gjv s MET 124 Cb -0.12 -0.37 -0.01 0.00 2.01 0.00 0.00 34.83 36.34 2gjv s MET 124 CO 0.01 -0.02 -0.11 0.95 -0.01 0.00 0.00 175.02 175.84 2gjv s THR 125 N -3.53 0.85 0.29 2.05 -4.23 0.07 -1.52 115.64 109.62 2gjv s THR 125 Ca 0.17 -0.49 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 2gjv s THR 125 Cb 0.05 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2gjv s THR 125 CO -0.00 0.21 -0.07 0.00 -0.54 0.00 0.00 174.62 174.22 2gjv s ALA 126 N -0.30 3.02 -0.01 3.99 0.00 -0.75 -1.32 121.76 126.39 2gjv s ALA 126 Ca 0.04 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.20 2gjv s ALA 126 Cb -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2gjv s ALA 126 CO -0.00 0.22 -0.05 0.45 0.00 0.00 0.00 175.76 176.38 2gjv s SER 127 N -3.62 0.67 0.28 0.00 0.15 -1.26 -1.16 113.70 108.75 2gjv s SER 127 Ca 0.32 -0.10 -0.07 0.00 0.70 0.00 0.00 55.95 56.80 2gjv s SER 127 Cb -0.04 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 2gjv s SER 127 CO 0.18 0.04 0.42 0.28 1.20 0.00 0.00 173.24 175.36 2gjv s THR 128 N 0.10 0.00 -0.26 6.45 -1.32 -0.19 -1.10 115.64 119.31 2gjv s THR 128 Ca -0.01 -1.58 -0.01 0.00 -1.21 0.00 0.00 61.69 58.88 2gjv s THR 128 Cb -0.05 -2.42 0.04 0.00 -1.51 0.00 0.00 72.50 68.55 2gjv s THR 128 CO -0.00 0.00 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.13 2gjv s LEU 129 N -3.12 3.36 -0.08 9.08 2.96 -1.26 -0.15 118.68 129.46 2gjv s LEU 129 Ca 0.28 -1.03 -0.25 0.00 -0.22 0.00 0.00 54.13 52.91 2gjv s LEU 129 Cb 0.01 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2gjv s LEU 129 CO 0.14 -0.16 0.80 0.12 -1.32 0.00 0.00 176.35 175.92 2gjv s PHE 130 N 1.28 3.55 -0.20 5.38 5.36 -0.03 -4.85 117.98 128.47 2gjv s PHE 130 Ca -0.02 1.34 0.01 0.00 -0.96 0.00 0.00 56.93 57.30 2gjv s PHE 130 Cb -0.18 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.60 2gjv s PHE 130 CO -0.04 -0.03 -0.17 0.42 -1.46 0.00 0.00 175.22 173.94 2gjv s ILE 131 N 1.25 2.20 0.48 3.12 1.01 -1.26 -0.89 121.20 127.10 2gjv s ILE 131 Ca 0.41 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 2gjv s ILE 131 Cb -0.18 -1.99 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 2gjv s ILE 131 CO 0.18 0.44 1.10 0.00 0.00 0.00 0.00 174.94 176.66 2gjv s ALA 132 N 1.28 2.89 0.42 9.38 0.00 -1.02 -5.03 121.76 129.68 2gjv s ALA 132 Ca 0.03 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.52 2gjv s ALA 132 Cb -0.14 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 2gjv s ALA 132 CO -0.11 -0.50 1.06 -1.21 0.00 0.00 0.00 175.76 175.00 2gjv s GLU 133 N -2.96 4.08 0.00 0.00 2.02 -1.26 -4.97 118.70 115.60 2gjv s GLU 133 Ca 0.66 1.53 0.29 0.00 0.02 0.00 0.00 54.97 57.46 2gjv s GLU 133 Cb -0.23 -2.48 1.16 0.00 0.10 0.00 0.00 34.13 32.69 2gjv s GLU 133 CO 0.27 -0.22 1.81 1.04 0.02 0.00 0.00 175.26 178.18