#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvi s MET 2 N 0.00 2.32 -0.48 0.03 0.00 -1.26 -5.08 119.30 114.83 2jvi s MET 2 Ca 0.00 -1.87 -0.19 0.00 0.00 0.00 0.00 55.69 53.63 2jvi s MET 2 Cb 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 34.83 32.73 2jvi s MET 2 CO 0.00 -0.42 0.58 -0.80 0.00 0.00 0.00 175.02 174.37 2jvi s ASN 3 N -4.18 6.22 0.10 -1.18 0.01 -1.26 -4.86 114.94 109.79 2jvi s ASN 3 Ca 0.39 -0.85 -0.31 0.00 -0.71 0.00 0.00 52.86 51.38 2jvi s ASN 3 Cb -0.01 -2.27 -0.08 0.00 0.41 0.00 0.00 41.25 39.29 2jvi s ASN 3 CO 0.23 -0.81 1.51 -1.83 -1.51 0.00 0.00 177.10 174.69 2jvi s GLU 4 N 2.49 4.25 0.04 -0.60 -1.05 -1.26 -4.87 118.70 117.70 2jvi s GLU 4 Ca 0.14 2.20 0.08 0.00 -0.15 0.00 0.00 54.97 57.24 2jvi s GLU 4 Cb -0.19 -3.37 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 2jvi s GLU 4 CO 0.12 -0.59 -0.20 0.21 0.95 0.00 0.00 175.26 175.76 2jvi s LYS 5 N 1.74 2.00 0.07 -4.83 2.47 -1.26 0.36 119.74 120.28 2jvi s LYS 5 Ca 0.68 -1.02 0.03 0.00 -1.56 0.00 0.00 55.97 54.10 2jvi s LYS 5 Cb -0.39 -2.13 -0.03 0.00 -1.46 0.00 0.00 37.83 33.82 2jvi s LYS 5 CO 0.30 0.53 -0.08 0.42 0.16 0.00 0.00 175.35 176.68 2jvi s ILE 6 N -0.89 0.69 -0.09 5.43 1.01 0.62 -1.31 121.20 126.66 2jvi s ILE 6 Ca 0.14 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.38 2jvi s ILE 6 Cb -0.10 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.34 2jvi s ILE 6 CO 0.04 -0.53 -0.09 -0.22 0.00 0.00 0.00 174.94 174.14 2jvi s LEU 7 N -2.12 1.39 -0.34 2.97 0.20 0.39 0.45 118.68 121.62 2jvi s LEU 7 Ca -0.01 -0.29 -0.04 0.00 0.69 0.00 0.00 54.13 54.48 2jvi s LEU 7 Cb -0.05 -0.81 0.06 0.00 -0.43 0.00 0.00 46.19 44.96 2jvi s LEU 7 CO -0.01 -0.05 0.09 -0.63 -0.29 0.00 0.00 176.35 175.46 2jvi s ILE 8 N 1.21 3.38 -0.88 6.68 1.09 0.68 0.13 121.20 133.48 2jvi s ILE 8 Ca -0.05 -1.45 -0.16 0.00 -1.10 0.00 0.00 60.65 57.90 2jvi s ILE 8 Cb -0.14 -3.02 0.19 0.00 -1.06 0.00 0.00 42.46 38.43 2jvi s ILE 8 CO -0.03 -0.28 0.92 -0.69 -0.10 0.00 0.00 174.94 174.76 2jvi s VAL 9 N 1.29 5.31 -0.02 2.92 1.01 0.20 0.61 120.40 131.72 2jvi s VAL 9 Ca -0.01 -2.19 0.01 0.00 0.00 0.00 0.00 61.98 59.79 2jvi s VAL 9 Cb -0.20 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.59 2jvi s VAL 9 CO -0.00 -1.21 -0.05 -0.62 0.00 0.00 0.00 175.10 173.22 2jvi s ASP 10 N 2.66 0.72 -0.12 3.32 2.15 0.18 -0.32 116.67 125.26 2jvi s ASP 10 Ca 0.24 -0.10 -0.10 0.00 0.43 0.00 0.00 52.55 53.01 2jvi s ASP 10 Cb -0.08 -0.20 -0.26 0.00 -0.30 0.00 0.00 42.92 42.08 2jvi s ASP 10 CO -0.09 0.02 0.42 -0.78 -0.17 0.00 0.00 175.17 174.57 2jvi h ASP 11 N 6.46 0.40 -0.06 -0.34 3.58 -1.80 -3.31 116.42 121.34 2jvi h ASP 11 Ca -0.33 -0.89 -0.70 0.00 0.42 0.00 0.00 57.03 55.53 2jvi h ASP 11 Cb 1.17 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 2jvi h ASP 11 CO 0.49 1.78 2.96 0.00 -2.88 0.00 0.00 179.24 181.59 2jvi n GLN 12 N -3.67 2.69 0.12 0.28 10.64 -1.26 -4.79 117.38 121.40 2jvi n GLN 12 Ca -0.30 -2.54 0.03 0.00 -1.83 0.00 0.00 57.00 52.36 2jvi n GLN 12 Cb 0.99 -3.26 0.19 0.00 -0.86 0.00 0.00 30.24 27.30 2jvi n GLN 12 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2jvi n TYR 13 N 6.50 0.23 -0.16 2.61 4.11 -1.26 -1.96 117.16 127.23 2jvi n TYR 13 Ca 0.51 0.12 -0.10 0.00 -0.00 0.00 0.00 57.90 58.43 2jvi n TYR 13 Cb 0.40 -0.39 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 2jvi n TYR 13 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 2jvi h GLY 14 N 0.00 -0.62 1.99 -7.48 0.00 -1.93 0.78 103.07 95.81 2jvi h GLY 14 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2jvi h GLY 14 CO 0.00 -0.16 0.00 -2.22 0.00 0.00 0.00 176.54 174.16 2jvi h ILE 15 N -0.31 0.58 0.01 2.60 2.04 -1.80 -0.80 117.51 119.84 2jvi h ILE 15 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2jvi h ILE 15 Cb 0.58 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2jvi h ILE 15 CO -0.62 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 177.34 2jvi h ARG 16 N 0.00 0.05 0.00 2.37 2.43 -1.13 0.92 114.38 119.02 2jvi h ARG 16 Ca 0.00 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 2jvi h ARG 16 Cb 0.01 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2jvi h ARG 16 CO -0.00 0.98 -0.37 -0.84 -1.51 0.00 0.00 179.97 178.23 2jvi h ILE 17 N -0.86 0.75 0.18 1.20 3.07 -0.91 0.27 117.51 121.20 2jvi h ILE 17 Ca -0.02 -1.64 -0.01 0.00 1.55 0.00 0.00 64.86 64.74 2jvi h ILE 17 Cb 1.03 2.06 -0.00 0.00 -0.27 0.00 0.00 36.82 39.64 2jvi h ILE 17 CO 0.02 0.36 -0.11 0.25 -1.05 0.00 0.00 178.15 177.62 2jvi h LEU 18 N 0.00 -0.27 -0.92 0.16 5.85 -1.08 0.20 115.31 119.25 2jvi h LEU 18 Ca -0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 2jvi h LEU 18 Cb 1.04 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 2jvi h LEU 18 CO 0.05 -0.16 0.55 -0.07 -0.34 0.00 0.00 178.44 178.46 2jvi h LEU 19 N -0.26 0.78 0.00 2.25 3.38 -0.80 -1.43 115.31 119.23 2jvi h LEU 19 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jvi h LEU 19 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jvi h LEU 19 CO 0.03 0.40 0.00 -3.20 0.09 0.00 0.00 178.44 175.76 2jvi n ASN 20 N -4.71 0.00 -0.22 -0.43 5.15 0.94 -1.33 115.26 114.66 2jvi n ASN 20 Ca 0.17 1.00 0.06 0.00 -0.60 0.00 0.00 54.58 55.21 2jvi n ASN 20 Cb 0.36 -0.50 0.33 0.00 -0.53 0.00 0.00 39.78 39.44 2jvi n ASN 20 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2jvi h GLU 21 N 0.00 0.79 0.26 1.20 4.81 -0.84 0.33 114.58 121.13 2jvi h GLU 21 Ca 0.00 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2jvi h GLU 21 Cb 0.00 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2jvi h GLU 21 CO 0.00 0.52 -0.31 0.28 -0.73 0.00 0.00 179.01 178.77 2jvi h VAL 22 N 0.81 0.35 0.10 0.32 2.07 -0.80 -1.19 116.25 117.91 2jvi h VAL 22 Ca 0.34 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.59 2jvi h VAL 22 Cb 0.28 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2jvi h VAL 22 CO -0.12 0.00 -1.17 -0.26 0.02 0.00 0.00 177.57 176.04 2jvi h PHE 23 N -0.62 0.69 -0.72 1.57 0.04 -0.93 -3.26 116.94 113.71 2jvi h PHE 23 Ca -0.00 -0.44 0.15 0.00 2.80 0.00 0.00 57.97 60.47 2jvi h PHE 23 Cb 0.59 -0.05 -0.10 0.00 2.20 0.00 0.00 35.95 38.58 2jvi h PHE 23 CO -0.21 1.31 0.20 -0.97 -0.60 0.00 0.00 178.31 178.04 2jvi h ASN 24 N 0.18 0.09 -0.83 2.17 -0.73 -0.21 0.20 115.58 116.44 2jvi h ASN 24 Ca -0.14 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2jvi h ASN 24 Cb 1.85 0.16 -0.04 0.00 0.27 0.00 0.00 38.32 40.56 2jvi h ASN 24 CO 0.21 0.01 0.53 0.50 -0.37 0.00 0.00 177.43 178.30 2jvi h LYS 25 N 0.31 1.11 -0.60 6.67 3.11 -1.26 0.02 116.57 125.94 2jvi h LYS 25 Ca 0.40 -0.08 0.11 0.00 -2.81 0.00 0.00 60.65 58.27 2jvi h LYS 25 Cb 0.65 -0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 2jvi h LYS 25 CO -0.46 0.75 0.40 0.93 -2.81 0.00 0.00 179.45 178.26 2jvi h GLU 26 N 1.14 0.33 0.00 1.90 4.39 -0.75 -3.44 114.58 118.15 2jvi h GLU 26 Ca 0.30 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2jvi h GLU 26 Cb -0.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2jvi h GLU 26 CO -0.06 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.42 2jvi n GLY 27 N -1.54 -0.56 3.72 -3.84 0.00 -0.08 -2.58 105.19 100.31 2jvi n GLY 27 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2jvi n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jvi s TYR 28 N -0.42 3.52 -1.20 1.61 2.02 -0.17 -4.30 117.35 118.41 2jvi s TYR 28 Ca 0.00 1.47 -0.16 0.00 -0.37 0.00 0.00 57.07 58.01 2jvi s TYR 28 Cb 0.00 -3.33 0.13 0.00 -0.40 0.00 0.00 41.96 38.37 2jvi s TYR 28 CO 0.00 -0.87 1.50 -0.65 -1.57 0.00 0.00 175.55 173.96 2jvi s GLN 29 N 0.49 4.00 -0.06 -0.62 -0.21 0.16 -3.55 119.66 119.86 2jvi s GLN 29 Ca 0.54 -2.29 -0.19 0.00 0.02 0.00 0.00 55.36 53.44 2jvi s GLN 29 Cb -0.28 -5.20 -0.05 0.00 1.00 0.00 0.00 33.01 28.48 2jvi s GLN 29 CO 0.31 -1.93 0.54 0.95 -2.12 0.00 0.00 175.29 173.05 2jvi s THR 30 N 2.56 5.05 -0.12 -0.19 -4.23 -1.25 -0.28 115.64 117.18 2jvi s THR 30 Ca 0.45 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 62.08 2jvi s THR 30 Cb -0.01 -3.88 0.02 0.00 1.34 0.00 0.00 72.50 69.97 2jvi s THR 30 CO 0.01 0.37 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.95 2jvi s PHE 31 N 0.19 2.11 -0.20 3.99 0.40 0.17 -4.91 117.98 119.74 2jvi s PHE 31 Ca 0.29 -1.06 -0.27 0.00 -0.60 0.00 0.00 56.93 55.29 2jvi s PHE 31 Cb -0.17 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 2jvi s PHE 31 CO 0.14 -0.55 0.91 1.14 0.70 0.00 0.00 175.22 177.56 2jvi s GLN 32 N 1.12 4.27 -0.03 0.44 -2.07 -1.26 -0.23 119.66 121.89 2jvi s GLN 32 Ca -0.03 1.14 0.06 0.00 -1.82 0.00 0.00 55.36 54.71 2jvi s GLN 32 Cb -0.14 -3.61 -0.01 0.00 -1.09 0.00 0.00 33.01 28.16 2jvi s GLN 32 CO -0.04 -0.46 -0.20 0.00 -1.32 0.00 0.00 175.29 173.26 2jvi s ALA 33 N 2.61 1.75 -2.21 2.60 0.00 0.20 -4.91 121.76 121.80 2jvi s ALA 33 Ca 0.40 -0.86 0.23 0.00 0.00 0.00 0.00 51.96 51.74 2jvi s ALA 33 Cb -0.16 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.56 2jvi s ALA 33 CO 0.10 0.37 1.17 0.00 0.00 0.00 0.00 175.76 177.41 2jvi n ALA 34 N 2.84 3.30 -2.75 0.00 0.00 -1.25 0.49 120.51 123.15 2jvi n ALA 34 Ca -0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.55 2jvi n ALA 34 Cb 0.53 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 2jvi n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jvi s ASN 35 N -2.38 0.02 0.52 0.00 4.22 -1.26 -3.96 114.94 112.09 2jvi s ASN 35 Ca 0.21 -0.75 0.31 0.00 -2.14 0.00 0.00 52.86 50.49 2jvi s ASN 35 Cb 0.19 0.43 1.11 0.00 1.28 0.00 0.00 41.25 44.25 2jvi s ASN 35 CO 0.51 -0.87 1.89 1.23 -2.04 0.00 0.00 177.10 177.83 2jvi h GLY 36 N 2.55 0.00 1.13 0.45 0.00 -1.93 0.29 103.07 105.56 2jvi h GLY 36 Ca -0.32 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.70 2jvi h GLY 36 CO 0.49 0.00 -1.39 1.41 0.00 0.00 0.00 176.54 177.05 2jvi h LEU 37 N 0.00 0.77 -0.97 3.11 -0.00 -1.97 0.17 115.31 116.42 2jvi h LEU 37 Ca -0.00 -0.93 0.03 0.00 -0.00 0.00 0.00 57.88 56.98 2jvi h LEU 37 Cb 0.64 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 40.99 2jvi h LEU 37 CO 0.00 1.67 0.63 -0.61 -0.00 0.00 0.00 178.44 180.13 2jvi h GLN 38 N 0.05 1.21 -0.30 1.13 5.75 -1.85 0.21 115.11 121.31 2jvi h GLN 38 Ca -0.25 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.15 2jvi h GLN 38 Cb 2.08 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 30.34 2jvi h GLN 38 CO 0.25 0.80 0.05 0.00 -2.65 0.00 0.00 178.83 177.28 2jvi h ALA 39 N 1.39 0.40 -0.97 3.38 0.00 -0.29 0.42 119.26 123.59 2jvi h ALA 39 Ca 0.38 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2jvi h ALA 39 Cb -0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 2jvi h ALA 39 CO -0.11 0.09 0.62 -0.07 0.00 0.00 0.00 179.25 179.78 2jvi h LEU 40 N 0.32 0.91 -0.34 0.00 3.38 0.22 0.53 115.31 120.33 2jvi h LEU 40 Ca 0.09 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 2jvi h LEU 40 Cb 0.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jvi h LEU 40 CO 0.01 0.52 -0.65 -0.78 0.09 0.00 0.00 178.44 177.62 2jvi h ASP 41 N 0.99 0.78 -0.19 -0.43 3.58 0.14 -1.27 116.42 120.01 2jvi h ASP 41 Ca 0.46 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2jvi h ASP 41 Cb 0.41 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2jvi h ASP 41 CO -0.22 1.23 0.08 0.40 -2.88 0.00 0.00 179.24 177.85 2jvi h ILE 42 N 0.50 0.98 -0.78 2.25 1.08 0.12 0.15 117.51 121.80 2jvi h ILE 42 Ca -0.02 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2jvi h ILE 42 Cb 1.24 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 2jvi h ILE 42 CO 0.13 0.03 0.44 0.58 -0.69 0.00 0.00 178.15 178.64 2jvi h VAL 43 N 0.18 1.23 0.00 1.67 2.07 -0.90 0.67 116.25 121.18 2jvi h VAL 43 Ca 0.08 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2jvi h VAL 43 Cb 0.03 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2jvi h VAL 43 CO -0.07 0.25 -0.14 0.74 0.02 0.00 0.00 177.57 178.38 2jvi h THR 44 N 1.08 0.95 0.01 2.57 2.02 -0.75 0.52 112.91 119.32 2jvi h THR 44 Ca 0.28 -0.50 -0.36 0.00 0.77 0.00 0.00 66.41 66.61 2jvi h THR 44 Cb 0.02 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 2jvi h THR 44 CO -0.05 0.13 -1.97 1.17 0.37 0.00 0.00 175.52 175.18 2jvi n LYS 45 N -4.16 0.60 -0.09 6.66 3.00 0.47 -4.71 118.16 119.93 2jvi n LYS 45 Ca -0.02 0.39 -0.12 0.00 -0.00 0.00 0.00 58.31 58.55 2jvi n LYS 45 Cb 0.21 -1.62 -0.10 0.00 0.00 0.00 0.00 35.03 33.53 2jvi n LYS 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jvi n GLU 46 N -4.20 0.78 -2.87 1.64 -0.58 0.22 -5.05 120.64 110.58 2jvi n GLU 46 Ca -0.43 0.08 -0.03 0.00 -0.42 0.00 0.00 57.16 56.36 2jvi n GLU 46 Cb 0.82 -1.40 0.01 0.00 -0.57 0.00 0.00 31.44 30.31 2jvi n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jvi n ARG 47 N -2.93 -1.30 -1.50 3.49 0.63 0.18 -4.99 116.66 110.23 2jvi n ARG 47 Ca -0.32 1.22 -0.34 0.00 -0.92 0.00 0.00 57.85 57.49 2jvi n ARG 47 Cb 0.92 -5.17 0.08 0.00 0.45 0.00 0.00 32.46 28.74 2jvi n ARG 47 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2jvi s PRO 48 N -3.26 2.30 -0.13 -0.14 0.02 -1.26 -4.89 135.00 127.65 2jvi s PRO 48 Ca 0.09 1.61 -0.10 0.00 0.02 0.00 0.00 61.00 62.61 2jvi s PRO 48 Cb -0.01 -1.87 -0.26 0.00 0.02 0.00 0.00 34.50 32.38 2jvi s PRO 48 CO 0.64 -1.68 0.38 -0.44 -0.33 0.00 0.00 177.00 175.57 2jvi h ASP 49 N -0.29 0.37 -3.65 2.53 5.19 -1.54 -3.43 116.42 115.60 2jvi h ASP 49 Ca -0.47 -0.88 -0.70 0.00 -0.62 0.00 0.00 57.03 54.36 2jvi h ASP 49 Cb 1.28 -0.12 -0.27 0.00 0.18 0.00 0.00 39.33 40.39 2jvi h ASP 49 CO 0.51 1.79 -0.58 -0.76 -3.12 0.00 0.00 179.24 177.08 2jvi s LEU 50 N -7.21 4.44 -0.34 1.55 1.02 -1.02 0.50 118.68 117.61 2jvi s LEU 50 Ca -0.23 -1.10 -0.06 0.00 0.02 0.00 0.00 54.13 52.77 2jvi s LEU 50 Cb 0.06 -1.92 0.05 0.00 0.02 0.00 0.00 46.19 44.40 2jvi s LEU 50 CO 0.75 -0.34 0.11 -0.69 0.02 0.00 0.00 176.35 176.19 2jvi s VAL 51 N 1.45 3.73 -0.98 -1.59 1.01 0.54 -0.46 120.40 124.09 2jvi s VAL 51 Ca -0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 2jvi s VAL 51 Cb -0.19 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2jvi s VAL 51 CO 0.04 -0.21 1.41 -0.76 0.00 0.00 0.00 175.10 175.58 2jvi s LEU 52 N 1.38 3.54 -0.59 3.92 1.02 0.34 0.78 118.68 129.08 2jvi s LEU 52 Ca -0.01 -1.37 -0.22 0.00 0.02 0.00 0.00 54.13 52.55 2jvi s LEU 52 Cb -0.20 -2.56 0.06 0.00 0.02 0.00 0.00 46.19 43.51 2jvi s LEU 52 CO 0.02 -1.52 0.87 -0.76 0.02 0.00 0.00 176.35 174.98 2jvi s LEU 53 N 4.95 4.47 -0.14 1.79 1.43 -1.12 0.61 118.68 130.68 2jvi s LEU 53 Ca 0.44 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 2jvi s LEU 53 Cb -0.01 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2jvi s LEU 53 CO -0.07 -1.24 1.71 -0.62 0.23 0.00 0.00 176.35 176.36 2jvi s ASP 54 N 3.19 6.41 -0.05 2.29 -1.08 0.56 -0.42 116.67 127.58 2jvi s ASP 54 Ca 0.23 1.96 0.19 0.00 -0.52 0.00 0.00 52.55 54.41 2jvi s ASP 54 Cb -0.16 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.40 2jvi s ASP 54 CO 0.13 -1.18 1.53 0.23 0.52 0.00 0.00 175.17 176.41 2jvi n MET 55 N 7.54 3.01 -0.00 4.34 2.81 0.20 -4.31 117.12 130.71 2jvi n MET 55 Ca 0.19 -2.54 -0.12 0.00 -1.81 0.00 0.00 57.70 53.42 2jvi n MET 55 Cb 0.44 -1.68 -0.07 0.00 -0.71 0.00 0.00 33.22 31.20 2jvi n MET 55 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2jvi h LYS 56 N 3.90 0.08 0.00 0.03 1.79 -1.85 -3.46 116.57 117.06 2jvi h LYS 56 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2jvi h LYS 56 Cb 1.12 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2jvi h LYS 56 CO 0.10 0.27 0.00 1.51 -1.08 0.00 0.00 179.45 180.25 2jvi n ILE 57 N -4.94 0.00 0.00 1.86 3.06 -1.26 -5.04 119.36 113.04 2jvi n ILE 57 Ca -0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 2jvi n ILE 57 Cb 0.13 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.31 2jvi n ILE 57 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 2jvi n PRO 58 N 0.00 0.00 0.09 9.51 -0.02 -1.26 -4.29 135.00 139.03 2jvi n PRO 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2jvi n PRO 58 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2jvi n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jvi n GLY 59 N -0.92 -0.27 3.41 -1.23 0.00 -1.26 -4.86 105.19 100.07 2jvi n GLY 59 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jvi n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jvi s MET 60 N -1.61 1.29 0.30 1.61 -2.45 -1.26 -4.99 119.30 112.19 2jvi s MET 60 Ca 0.00 -1.21 -0.30 0.00 -1.25 0.00 0.00 55.69 52.93 2jvi s MET 60 Cb 0.00 0.41 -0.12 0.00 1.25 0.00 0.00 34.83 36.37 2jvi s MET 60 CO 0.00 -0.50 1.58 -0.25 1.05 0.00 0.00 175.02 176.90 2jvi n ASP 61 N -0.28 3.81 0.30 1.11 8.00 -1.26 -4.69 116.55 123.54 2jvi n ASP 61 Ca -0.05 1.16 0.19 0.00 0.71 0.00 0.00 54.79 56.79 2jvi n ASP 61 Cb 0.63 -1.59 1.00 0.00 -0.02 0.00 0.00 41.12 41.13 2jvi n ASP 61 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2jvi h GLY 62 N 4.55 0.00 0.67 0.44 0.00 -1.78 -1.29 103.07 105.67 2jvi h GLY 62 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2jvi h GLY 62 CO 0.77 0.00 -0.00 -2.22 0.00 0.00 0.00 176.54 175.09 2jvi h ILE 63 N 0.00 1.28 -0.25 2.60 2.04 -1.91 0.88 117.51 122.15 2jvi h ILE 63 Ca 0.00 -0.84 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 2jvi h ILE 63 Cb 0.15 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2jvi h ILE 63 CO 0.00 0.22 -0.27 -0.33 0.00 0.00 0.00 178.15 177.77 2jvi h GLU 64 N -0.30 0.48 -0.14 2.37 4.39 -1.62 -1.33 114.58 118.43 2jvi h GLU 64 Ca 0.01 -0.19 -0.21 0.00 0.34 0.00 0.00 59.36 59.31 2jvi h GLU 64 Cb 0.36 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2jvi h GLU 64 CO 0.00 0.71 -0.76 0.82 -1.16 0.00 0.00 179.01 178.62 2jvi h ILE 65 N 0.42 1.30 -0.29 3.13 2.04 -1.32 -2.45 117.51 120.35 2jvi h ILE 65 Ca 0.06 -2.01 -0.09 0.00 1.00 0.00 0.00 64.86 63.82 2jvi h ILE 65 Cb 0.70 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 2jvi h ILE 65 CO 0.05 0.63 -0.22 0.17 0.00 0.00 0.00 178.15 178.78 2jvi h LEU 66 N 0.47 0.54 -0.24 1.44 8.10 0.12 -0.53 115.31 125.21 2jvi h LEU 66 Ca -0.04 -0.17 -0.21 0.00 0.11 0.00 0.00 57.88 57.57 2jvi h LEU 66 Cb 1.37 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 41.44 2jvi h LEU 66 CO 0.15 0.76 -0.90 0.07 -4.11 0.00 0.00 178.44 174.40 2jvi h LYS 67 N 0.48 0.24 0.00 0.17 2.10 -1.26 0.35 116.57 118.65 2jvi h LYS 67 Ca 0.07 -0.27 -0.11 0.00 -2.00 0.00 0.00 60.65 58.35 2jvi h LYS 67 Cb 0.64 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.03 2jvi h LYS 67 CO 0.05 0.99 -0.52 0.07 -2.00 0.00 0.00 179.45 178.04 2jvi h ARG 68 N 0.13 0.00 0.00 0.07 0.11 -1.15 0.10 114.38 113.64 2jvi h ARG 68 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2jvi h ARG 68 Cb 1.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.62 2jvi h ARG 68 CO 0.14 0.52 -0.27 0.00 0.10 0.00 0.00 179.97 180.46 2jvi n MET 69 N -3.90 0.19 0.09 0.08 0.00 -0.23 -2.14 117.12 111.20 2jvi n MET 69 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 57.70 57.68 2jvi n MET 69 Cb 0.53 -1.67 -0.09 0.00 0.00 0.00 0.00 33.22 31.99 2jvi n MET 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2jvi h LYS 70 N 0.00 0.17 -0.06 3.17 1.57 0.29 0.55 116.57 122.26 2jvi h LYS 70 Ca 0.00 -0.25 -0.21 0.00 -1.87 0.00 0.00 60.65 58.32 2jvi h LYS 70 Cb 0.67 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2jvi h LYS 70 CO 0.00 1.07 -0.82 -0.24 -0.57 0.00 0.00 179.45 178.89 2jvi h VAL 71 N 0.07 1.36 0.00 0.50 3.04 -0.66 0.32 116.25 120.88 2jvi h VAL 71 Ca -0.07 -2.21 -0.04 0.00 -1.01 0.00 0.00 66.70 63.37 2jvi h VAL 71 Cb 1.76 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 33.23 2jvi h VAL 71 CO 0.16 0.67 -0.24 0.16 -1.01 0.00 0.00 177.57 177.31 2jvi h ILE 72 N 0.31 0.31 -0.76 3.17 3.07 -1.49 -3.43 117.51 118.68 2jvi h ILE 72 Ca -0.05 -1.44 0.05 0.00 1.55 0.00 0.00 64.86 64.97 2jvi h ILE 72 Cb 1.42 2.13 -0.19 0.00 -0.27 0.00 0.00 36.82 39.91 2jvi h ILE 72 CO 0.15 0.17 -0.30 -0.62 -1.05 0.00 0.00 178.15 176.50 2jvi s ASP 73 N -6.25 -1.20 0.00 2.16 2.15 0.19 -4.97 116.67 108.74 2jvi s ASP 73 Ca 0.05 -0.20 0.11 0.00 0.43 0.00 0.00 52.55 52.95 2jvi s ASP 73 Cb 0.06 1.65 0.66 0.00 -0.30 0.00 0.00 42.92 44.99 2jvi s ASP 73 CO 0.70 -0.18 1.34 -0.62 -0.17 0.00 0.00 175.17 176.24 2jvi n GLU 74 N 4.79 0.89 0.09 4.34 -0.58 0.11 -1.46 120.64 128.82 2jvi n GLU 74 Ca 0.08 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 2jvi n GLU 74 Cb 0.57 -1.20 -0.09 0.00 -0.57 0.00 0.00 31.44 30.15 2jvi n GLU 74 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2jvi h ASN 75 N 0.00 0.35 -4.26 1.62 -1.24 -1.88 -3.46 115.58 106.71 2jvi h ASN 75 Ca 0.00 -0.34 -0.52 0.00 0.71 0.00 0.00 56.30 56.15 2jvi h ASN 75 Cb 0.00 -0.11 0.20 0.00 0.73 0.00 0.00 38.32 39.13 2jvi h ASN 75 CO 0.00 1.22 0.24 -0.51 -1.29 0.00 0.00 177.43 177.09 2jvi s ILE 76 N -2.87 2.02 0.26 2.57 2.07 -0.53 -4.96 121.20 119.76 2jvi s ILE 76 Ca -0.03 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2jvi s ILE 76 Cb 0.08 -2.08 -0.03 0.00 0.13 0.00 0.00 42.46 40.57 2jvi s ILE 76 CO 0.86 -0.01 0.27 0.00 -1.91 0.00 0.00 174.94 174.15 2jvi s ARG 77 N -4.57 1.51 0.01 3.50 1.70 0.18 -4.95 118.95 116.32 2jvi s ARG 77 Ca 0.68 -1.71 -0.03 0.00 -0.47 0.00 0.00 55.73 54.20 2jvi s ARG 77 Cb -0.24 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.47 2jvi s ARG 77 CO 0.57 -0.56 0.04 0.14 -1.08 0.00 0.00 175.30 174.41 2jvi s VAL 78 N -3.78 0.08 -0.74 4.99 -7.23 -0.81 -0.33 120.40 112.58 2jvi s VAL 78 Ca 0.36 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 2jvi s VAL 78 Cb 0.04 -0.28 0.24 0.00 0.56 0.00 0.00 36.38 36.94 2jvi s VAL 78 CO 0.17 -0.36 0.81 -0.38 -0.31 0.00 0.00 175.10 175.02 2jvi n ILE 79 N 1.84 2.71 -2.15 -0.62 5.41 0.23 0.74 119.36 127.52 2jvi n ILE 79 Ca -0.21 -5.25 -0.39 0.00 1.00 0.00 0.00 62.75 57.90 2jvi n ILE 79 Cb 0.56 -2.14 -0.01 0.00 -0.71 0.00 0.00 39.64 37.34 2jvi n ILE 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2jvi s ILE 80 N -2.24 2.83 -0.24 1.39 -0.00 -0.80 -2.78 121.20 119.37 2jvi s ILE 80 Ca 0.35 0.73 -0.11 0.00 -0.00 0.00 0.00 60.65 61.62 2jvi s ILE 80 Cb 0.08 -3.43 -0.05 0.00 -0.00 0.00 0.00 42.46 39.07 2jvi s ILE 80 CO -0.04 0.10 0.19 -0.04 -0.00 0.00 0.00 174.94 175.15 2jvi s MET 81 N -2.22 4.07 0.13 0.37 -1.94 0.44 -0.14 119.30 120.02 2jvi s MET 81 Ca 0.56 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 54.36 2jvi s MET 81 Cb -0.35 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 2jvi s MET 81 CO 0.45 0.03 -0.08 -0.08 -0.01 0.00 0.00 175.02 175.33 2jvi s THR 82 N 1.14 0.99 -0.40 2.05 -1.32 0.85 0.58 115.64 119.52 2jvi s THR 82 Ca 0.09 -2.02 -0.11 0.00 -1.21 0.00 0.00 61.69 58.44 2jvi s THR 82 Cb -0.14 -1.81 -0.11 0.00 -1.51 0.00 0.00 72.50 68.93 2jvi s THR 82 CO 0.05 -0.77 1.59 0.00 -2.21 0.00 0.00 174.62 173.28 2jvi n ALA 83 N -0.15 2.46 -0.85 11.08 0.00 -1.26 -4.18 120.51 127.61 2jvi n ALA 83 Ca -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.71 2jvi n ALA 83 Cb 0.61 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 17.00 2jvi n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jvi n TYR 84 N 5.88 0.00 -1.28 0.00 4.02 -1.26 -3.99 117.16 120.53 2jvi n TYR 84 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 2jvi n TYR 84 Cb 0.18 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.39 2jvi n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jvi n GLY 85 N -1.22 -2.08 0.00 2.72 0.00 -1.26 -5.05 105.19 98.29 2jvi n GLY 85 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2jvi n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jvi n GLU 86 N -0.08 0.00 -1.46 1.61 1.02 -1.26 -5.08 120.64 115.41 2jvi n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2jvi n GLU 86 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 2jvi n GLU 86 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2jvi n LEU 87 N -0.02 0.00 0.00 -4.62 7.94 -1.26 -4.98 117.00 114.07 2jvi n LEU 87 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2jvi n LEU 87 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jvi n LEU 87 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 2jvi n ASP 88 N -0.10 0.00 -0.16 1.96 8.00 -1.26 -0.33 116.55 124.67 2jvi n ASP 88 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2jvi n ASP 88 Cb 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.50 2jvi n ASP 88 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2jvi h MET 89 N 0.00 0.62 -0.53 -1.24 2.86 -1.98 -0.10 114.93 114.56 2jvi h MET 89 Ca 0.00 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2jvi h MET 89 Cb 0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2jvi h MET 89 CO 0.00 0.41 0.35 0.82 1.06 0.00 0.00 176.91 179.55 2jvi h ILE 90 N 0.64 1.13 0.27 -1.22 1.08 -1.06 0.37 117.51 118.71 2jvi h ILE 90 Ca 0.31 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2jvi h ILE 90 Cb 0.38 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2jvi h ILE 90 CO -0.10 0.13 -0.19 1.56 -0.69 0.00 0.00 178.15 178.86 2jvi h GLN 91 N 0.71 -0.43 -0.55 2.37 4.20 -1.26 -2.84 115.11 117.32 2jvi h GLN 91 Ca 0.20 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.97 2jvi h GLN 91 Cb -0.08 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2jvi h GLN 91 CO -0.05 -0.29 0.36 1.49 -0.67 0.00 0.00 178.83 179.68 2jvi h GLU 92 N -0.45 0.61 0.03 1.46 4.81 -0.73 -0.86 114.58 119.45 2jvi h GLU 92 Ca -0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jvi h GLU 92 Cb 0.39 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2jvi h GLU 92 CO 0.01 0.40 -0.03 1.03 -0.73 0.00 0.00 179.01 179.69 2jvi h SER 93 N 0.63 -0.07 -0.80 1.04 0.87 -0.02 0.31 113.55 115.51 2jvi h SER 93 Ca 0.22 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.89 2jvi h SER 93 Cb 0.09 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2jvi h SER 93 CO -0.06 -0.03 0.52 0.07 -0.53 0.00 0.00 176.83 176.80 2jvi h LYS 94 N -0.05 0.69 -0.56 2.24 2.10 -1.56 -2.41 116.57 117.01 2jvi h LYS 94 Ca -0.00 -0.04 0.06 0.00 -2.00 0.00 0.00 60.65 58.66 2jvi h LYS 94 Cb 0.04 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 31.17 2jvi h LYS 94 CO -0.00 0.46 0.28 1.49 -2.00 0.00 0.00 179.45 179.67 2jvi h GLU 95 N 0.71 0.51 -0.33 0.07 4.57 -0.67 -2.33 114.58 117.11 2jvi h GLU 95 Ca 0.37 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.35 2jvi h GLU 95 Cb 0.49 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2jvi h GLU 95 CO -0.15 0.34 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.49 2jvi h LEU 96 N 0.53 0.97 0.00 1.64 3.38 -0.02 -3.45 115.31 118.36 2jvi h LEU 96 Ca 0.25 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2jvi h LEU 96 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jvi h LEU 96 CO -0.19 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.23 2jvi n GLY 97 N 0.23 0.00 3.71 0.83 0.00 -1.00 -5.10 105.19 103.86 2jvi n GLY 97 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2jvi n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvi s ALA 98 N 0.00 3.31 -0.05 4.61 0.00 -0.91 -1.93 121.76 126.79 2jvi s ALA 98 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 2jvi s ALA 98 Cb 0.00 -3.14 -0.22 0.00 0.00 0.00 0.00 23.12 19.76 2jvi s ALA 98 CO 0.00 -0.25 1.12 -0.07 0.00 0.00 0.00 175.76 176.55 2jvi h LEU 99 N 7.08 0.05 -8.09 0.00 3.38 0.06 -3.37 115.31 114.42 2jvi h LEU 99 Ca -0.39 -0.65 -0.12 0.00 0.09 0.00 0.00 57.88 56.82 2jvi h LEU 99 Cb 1.19 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2jvi h LEU 99 CO 0.77 0.70 -0.60 0.42 0.09 0.00 0.00 178.44 179.82 2jvi s THR 100 N -3.61 0.19 -0.59 0.22 -4.23 -1.24 -5.01 115.64 101.37 2jvi s THR 100 Ca -0.17 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 2jvi s THR 100 Cb 0.01 -1.33 0.15 0.00 1.34 0.00 0.00 72.50 72.67 2jvi s THR 100 CO 0.69 -0.85 0.43 0.00 -0.54 0.00 0.00 174.62 174.35 2jvi s ALA 101 N -3.61 3.55 0.08 3.99 0.00 -1.25 -1.90 121.76 122.61 2jvi s ALA 101 Ca 0.04 -3.04 -0.31 0.00 0.00 0.00 0.00 51.96 48.65 2jvi s ALA 101 Cb 0.05 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 2jvi s ALA 101 CO -0.09 -2.05 1.91 0.34 0.00 0.00 0.00 175.76 175.87 2jvi n PHE 102 N 3.95 2.57 -4.61 0.00 -0.00 0.80 -4.72 117.46 115.45 2jvi n PHE 102 Ca 0.04 -0.27 -0.27 0.00 -0.00 0.00 0.00 57.45 56.95 2jvi n PHE 102 Cb 0.40 -2.77 -0.06 0.00 -0.00 0.00 0.00 39.48 37.05 2jvi n PHE 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2jvi n ALA 103 N 6.61 0.43 -0.14 3.13 0.00 -1.26 -0.11 120.51 129.17 2jvi n ALA 103 Ca 0.19 -2.01 -0.06 0.00 0.00 0.00 0.00 53.44 51.56 2jvi n ALA 103 Cb 0.39 1.17 -0.00 0.00 0.00 0.00 0.00 19.45 21.01 2jvi n ALA 103 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jvi h LYS 104 N 0.00 -0.20 -6.21 0.00 3.64 -1.94 -3.33 116.57 108.52 2jvi h LYS 104 Ca -0.35 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.52 2jvi h LYS 104 Cb 1.14 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 2jvi h LYS 104 CO 0.58 -0.13 1.17 -1.25 -2.27 0.00 0.00 179.45 177.54 2jvi s PRO 105 N -6.03 3.07 -0.07 1.90 0.04 -1.26 -4.96 135.00 127.69 2jvi s PRO 105 Ca -0.15 -0.15 0.02 0.00 0.04 0.00 0.00 61.00 60.77 2jvi s PRO 105 Cb 0.14 -4.42 0.01 0.00 0.04 0.00 0.00 34.50 30.28 2jvi s PRO 105 CO 0.69 -2.36 -0.13 -0.59 0.04 0.00 0.00 177.00 174.65 2jvi s PHE 106 N 6.65 1.57 -0.79 0.56 -0.71 -1.25 -5.01 117.98 119.00 2jvi s PHE 106 Ca 0.46 -0.61 0.16 0.00 -1.04 0.00 0.00 56.93 55.89 2jvi s PHE 106 Cb -0.08 -1.15 0.68 0.00 -1.21 0.00 0.00 43.02 41.26 2jvi s PHE 106 CO 0.12 -0.31 1.49 -3.47 -1.34 0.00 0.00 175.22 171.71 2jvi n ASP 107 N 3.88 0.24 0.00 1.98 -0.08 -1.26 -4.86 116.55 116.44 2jvi n ASP 107 Ca -0.22 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 2jvi n ASP 107 Cb 0.52 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.36 2jvi n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jvi n ILE 108 N -1.77 0.00 -0.14 5.18 3.06 -1.26 -4.44 119.36 119.99 2jvi n ILE 108 Ca 0.02 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.19 2jvi n ILE 108 Cb 0.15 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.40 2jvi n ILE 108 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2jvi h ASP 109 N 0.00 0.91 0.58 9.51 3.58 -1.99 -1.39 116.42 127.62 2jvi h ASP 109 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2jvi h ASP 109 Cb 0.00 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.80 2jvi h ASP 109 CO 0.00 1.03 0.00 1.05 -2.88 0.00 0.00 179.24 178.44 2jvi h GLU 110 N 0.82 0.00 0.11 0.28 4.11 -1.95 0.91 114.58 118.86 2jvi h GLU 110 Ca 0.13 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.36 2jvi h GLU 110 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2jvi h GLU 110 CO 0.04 0.00 -1.00 0.82 0.07 0.00 0.00 179.01 178.95 2jvi h ILE 111 N 0.00 1.31 -0.03 -1.06 1.08 -1.63 0.13 117.51 117.30 2jvi h ILE 111 Ca 0.00 -2.44 -0.12 0.00 -0.39 0.00 0.00 64.86 61.91 2jvi h ILE 111 Cb 0.29 2.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 2jvi h ILE 111 CO 0.00 0.67 -0.53 0.08 -0.69 0.00 0.00 178.15 177.68 2jvi h ARG 112 N -0.46 0.10 -0.45 2.37 -0.00 -1.00 -1.52 114.38 113.42 2jvi h ARG 112 Ca -0.21 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.98 59.60 2jvi h ARG 112 Cb 1.60 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.56 2jvi h ARG 112 CO 0.07 0.61 -0.16 0.22 -0.00 0.00 0.00 179.97 180.71 2jvi h ASP 113 N 0.08 0.92 -0.11 0.08 3.58 0.80 -1.91 116.42 119.85 2jvi h ASP 113 Ca -0.00 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 2jvi h ASP 113 Cb 0.96 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2jvi h ASP 113 CO 0.07 1.09 -0.00 0.00 -2.88 0.00 0.00 179.24 177.53 2jvi h ALA 114 N 0.86 0.14 -0.27 -0.78 0.00 -0.77 0.73 119.26 119.17 2jvi h ALA 114 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jvi h ALA 114 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jvi h ALA 114 CO 0.05 -0.17 0.14 -0.39 0.00 0.00 0.00 179.25 178.89 2jvi h VAL 115 N -0.09 1.00 0.19 0.00 -1.51 -1.25 -1.77 116.25 112.83 2jvi h VAL 115 Ca 0.03 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.39 2jvi h VAL 115 Cb 0.36 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 2jvi h VAL 115 CO 0.01 0.05 -0.09 0.50 -1.23 0.00 0.00 177.57 176.81 2jvi h LYS 116 N 0.29 -0.25 -0.32 5.19 3.64 -1.32 0.10 116.57 123.90 2jvi h LYS 116 Ca 0.11 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 2jvi h LYS 116 Cb 0.02 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2jvi h LYS 116 CO -0.07 -0.13 0.30 1.57 -2.27 0.00 0.00 179.45 178.86 2jvi h LYS 117 N -0.31 0.00 0.00 1.90 2.10 -0.65 -2.10 116.57 117.51 2jvi h LYS 117 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2jvi h LYS 117 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2jvi h LYS 117 CO 0.04 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.15 2jvi n TYR 118 N -3.94 0.00 -3.95 0.07 4.02 -0.68 -4.82 117.16 107.85 2jvi n TYR 118 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.63 2jvi n TYR 118 Cb 0.47 -0.38 -0.14 0.00 -0.02 0.00 0.00 39.34 39.26 2jvi n TYR 118 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2jvi s LEU 119 N -3.58 4.45 -0.24 7.72 2.01 0.32 -5.09 118.68 124.27 2jvi s LEU 119 Ca 0.00 -2.82 -0.17 0.00 0.01 0.00 0.00 54.13 51.15 2jvi s LEU 119 Cb 0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 46.19 44.52 2jvi s LEU 119 CO 0.00 -0.27 0.46 -2.16 1.01 0.00 0.00 176.35 175.39 2jvi s PRO 120 N -0.02 4.10 -0.17 1.29 0.04 -0.80 -4.41 135.00 135.03 2jvi s PRO 120 Ca 0.16 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.29 2jvi s PRO 120 Cb -0.24 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.63 2jvi s PRO 120 CO -0.02 -0.24 -0.30 -0.11 0.04 0.00 0.00 177.00 176.37 2jvi n LEU 121 N 5.15 1.90 0.16 -3.56 7.94 -1.26 -4.94 117.00 122.39 2jvi n LEU 121 Ca -0.06 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2jvi n LEU 121 Cb 0.50 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.68 2jvi n LEU 121 CO 0.40 -0.33 0.00 0.29 -1.11 0.00 0.00 177.39 176.64 2jvi n LYS 122 N -4.50 0.00 -1.26 1.96 5.02 -1.26 -4.93 118.16 113.20 2jvi n LYS 122 Ca -0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.08 2jvi n LYS 122 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 2jvi n LYS 122 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jvi n SER 123 N -3.50 -5.53 -2.22 4.39 2.88 -1.07 -2.15 113.62 106.42 2jvi n SER 123 Ca 0.00 0.22 -0.19 0.00 -1.33 0.00 0.00 58.87 57.57 2jvi n SER 123 Cb 0.00 -3.81 -0.01 0.00 -0.75 0.00 0.00 64.21 59.64 2jvi n SER 123 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jvi n ASN 124 N -0.99 -5.54 -0.64 -3.46 3.02 -1.26 -4.80 115.26 101.58 2jvi n ASN 124 Ca -0.09 -0.03 -0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2jvi n ASN 124 Cb 0.53 -4.57 -0.00 0.00 -0.61 0.00 0.00 39.78 35.13 2jvi n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jvi n LEU 125 N -2.81 0.00 -4.71 3.41 -0.00 -0.91 -5.14 117.00 106.84 2jvi n LEU 125 Ca -0.22 -1.19 -0.29 0.00 -0.00 0.00 0.00 56.01 54.31 2jvi n LEU 125 Cb 0.67 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.25 2jvi n LEU 125 CO 0.27 0.69 0.66 -1.83 -0.00 0.00 0.00 177.39 177.19 2jvi s GLU 126 N 0.00 0.77 0.00 1.47 1.03 -1.06 -5.00 118.70 115.91 2jvi s GLU 126 Ca 0.03 0.52 0.00 0.00 0.03 0.00 0.00 54.97 55.55 2jvi s GLU 126 Cb 0.04 -1.78 0.00 0.00 -0.80 0.00 0.00 34.13 31.59 2jvi s GLU 126 CO -0.02 -2.50 0.91 1.58 -1.33 0.00 0.00 175.26 173.90 2jvi n HIS 127 N -4.02 0.00 -3.58 4.83 -0.00 -1.26 -4.91 115.22 106.28 2jvi n HIS 127 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.62 2jvi n HIS 127 Cb 0.57 -0.41 -0.07 0.00 -0.00 0.00 0.00 29.99 30.09 2jvi n HIS 127 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jvi s HIS 128 N -2.63 -0.71 -0.58 1.57 2.46 -1.26 -5.12 115.29 109.02 2jvi s HIS 128 Ca 0.00 1.52 -0.26 0.00 0.47 0.00 0.00 55.06 56.80 2jvi s HIS 128 Cb 0.00 0.34 0.04 0.00 -0.13 0.00 0.00 32.58 32.83 2jvi s HIS 128 CO 0.00 -0.47 1.05 -1.01 -2.47 0.00 0.00 174.74 171.84 2jvi s HIS 129 N -0.34 2.69 0.07 3.88 3.76 -1.26 -5.01 115.29 119.07 2jvi s HIS 129 Ca -0.05 0.12 -0.26 0.00 -0.15 0.00 0.00 55.06 54.72 2jvi s HIS 129 Cb -0.03 -4.27 -0.06 0.00 1.11 0.00 0.00 32.58 29.33 2jvi s HIS 129 CO 0.05 -1.49 0.82 -3.38 -0.85 0.00 0.00 174.74 169.89 2jvi s HIS 130 N 4.42 3.76 -0.00 1.40 -3.43 -1.26 -5.05 115.29 115.12 2jvi s HIS 130 Ca 0.35 1.57 -0.07 0.00 -0.80 0.00 0.00 55.06 56.11 2jvi s HIS 130 Cb -0.11 -2.88 -0.05 0.00 -1.43 0.00 0.00 32.58 28.11 2jvi s HIS 130 CO 0.21 0.26 0.26 -3.38 -2.00 0.00 0.00 174.74 170.09 2jvi s HIS 131 N -0.06 3.59 0.00 0.38 -3.43 -1.26 -5.27 115.29 109.23 2jvi s HIS 131 Ca 0.41 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 55.26 2jvi s HIS 131 Cb -0.21 -2.00 0.00 0.00 -1.43 0.00 0.00 32.58 28.94 2jvi s HIS 131 CO 0.25 0.63 0.03 1.58 -2.00 0.00 0.00 174.74 175.22