#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvr n MET 1 N 0.00 0.00 0.00 1.57 3.85 -1.26 -5.16 117.12 116.12 1jvr n MET 1 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.70 1jvr n MET 1 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.17 1jvr n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jvr n GLY 2 N 0.00 0.54 2.70 3.17 0.00 -1.26 -5.08 105.19 105.26 1jvr n GLY 2 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 1jvr n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jvr n GLN 3 N -0.44 0.80 0.00 1.61 10.64 -1.26 -5.14 117.38 123.58 1jvr n GLN 3 Ca 0.00 -1.50 0.00 0.00 -1.83 0.00 0.00 57.00 53.67 1jvr n GLN 3 Cb 0.00 -0.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.95 1jvr n GLN 3 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1jvr n ILE 4 N -0.03 0.00 -2.12 -0.39 -0.00 -1.26 -4.24 119.36 111.31 1jvr n ILE 4 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.29 1jvr n ILE 4 Cb 0.75 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.36 1jvr n ILE 4 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1jvr s HIS 5 N 0.00 2.91 0.00 4.28 5.65 -1.26 -4.75 115.29 122.12 1jvr s HIS 5 Ca 0.00 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.05 1jvr s HIS 5 Cb 0.00 -3.75 0.00 0.00 -1.18 0.00 0.00 32.58 27.65 1jvr s HIS 5 CO 0.00 -2.79 0.00 0.41 -0.65 0.00 0.00 174.74 171.71 1jvr n GLY 6 N 3.68 1.27 1.34 1.59 0.00 -1.26 -4.58 105.19 107.22 1jvr n GLY 6 Ca 0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1jvr n GLY 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jvr n LEU 7 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.84 117.00 111.89 1jvr n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jvr n LEU 7 Cb 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1jvr n LEU 7 CO 0.00 -0.33 0.00 -1.20 -0.00 0.00 0.00 177.39 175.86 1jvr n SER 8 N -2.01 0.00 -2.32 1.45 7.64 -1.26 -5.09 113.62 112.02 1jvr n SER 8 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jvr n SER 8 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jvr n SER 8 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 9 N 0.00 -0.39 -2.72 1.43 -0.04 -1.26 -5.07 135.00 126.95 1jvr n PRO 9 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1jvr n PRO 9 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 1jvr n PRO 9 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 10 N -2.10 0.00 -2.31 0.52 5.66 -1.26 -5.10 114.28 109.69 1jvr n THR 10 Ca 0.00 -1.21 -0.38 0.00 -3.05 0.00 0.00 64.05 59.41 1jvr n THR 10 Cb 0.00 1.35 -0.03 0.00 -1.55 0.00 0.00 70.33 70.10 1jvr n THR 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jvr s PRO 11 N 0.42 2.96 0.00 1.09 0.04 -1.26 -4.84 135.00 133.41 1jvr s PRO 11 Ca 0.28 -0.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.02 1jvr s PRO 11 Cb 0.24 -4.50 -0.18 0.00 0.04 0.00 0.00 34.50 30.10 1jvr s PRO 11 CO -0.17 -2.51 1.31 0.82 0.04 0.00 0.00 177.00 176.49 1jvr h ILE 12 N 6.58 1.04 -3.75 0.56 1.08 -1.98 -3.42 117.51 117.62 1jvr h ILE 12 Ca -0.17 -0.77 -0.51 0.00 -0.39 0.00 0.00 64.86 63.03 1jvr h ILE 12 Cb 1.08 1.52 0.01 0.00 -3.07 0.00 0.00 36.82 36.36 1jvr h ILE 12 CO 1.27 0.18 0.47 -2.16 -0.69 0.00 0.00 178.15 177.21 1jvr s PRO 13 N -4.66 4.65 -0.26 2.37 0.04 -1.26 -4.30 135.00 131.58 1jvr s PRO 13 Ca -0.15 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.60 1jvr s PRO 13 Cb 0.02 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1jvr s PRO 13 CO 0.61 0.21 0.15 1.63 0.04 0.00 0.00 177.00 179.65 1jvr n LYS 14 N 1.45 -2.32 0.22 4.56 4.76 -1.26 -4.90 118.16 120.67 1jvr n LYS 14 Ca -0.00 2.03 -0.15 0.00 -2.87 0.00 0.00 58.31 57.32 1jvr n LYS 14 Cb 0.45 -3.95 -0.08 0.00 -1.84 0.00 0.00 35.03 29.61 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jvr h ALA 15 N 2.96 -0.52 0.00 7.82 0.00 -1.80 -3.16 119.26 124.55 1jvr h ALA 15 Ca -0.05 -0.16 -0.39 0.00 0.00 0.00 0.00 54.91 54.31 1jvr h ALA 15 Cb 0.56 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1jvr h ALA 15 CO 0.10 -0.72 2.14 -0.35 0.00 0.00 0.00 179.25 180.42 1jvr n PRO 16 N -5.25 2.40 -0.87 0.00 -0.04 -1.26 -4.93 135.00 125.05 1jvr n PRO 16 Ca -0.11 -1.47 -0.34 0.00 -0.04 0.00 0.00 63.50 61.54 1jvr n PRO 16 Cb 0.26 -2.38 0.09 0.00 -0.04 0.00 0.00 33.50 31.43 1jvr n PRO 16 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1jvr n ARG 17 N 3.53 -0.27 0.00 0.54 0.00 -1.20 -5.01 116.66 114.25 1jvr n ARG 17 Ca 0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 1jvr n ARG 17 Cb 0.33 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jvr n GLY 18 N 2.36 0.17 3.62 5.14 0.00 -1.26 -4.92 105.19 110.30 1jvr n GLY 18 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1jvr n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jvr s LEU 19 N 0.00 4.06 0.00 0.99 2.01 -1.26 -4.96 118.68 119.51 1jvr s LEU 19 Ca 0.00 0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.38 1jvr s LEU 19 Cb 0.00 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.85 1jvr s LEU 19 CO 0.00 -0.12 0.00 -0.24 1.01 0.00 0.00 176.35 177.00 1jvr n SER 20 N 5.07 0.00 0.00 2.29 2.88 -1.26 -5.01 113.62 117.59 1jvr n SER 20 Ca -0.10 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1jvr n SER 20 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1jvr n SER 20 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jvr n THR 21 N -0.08 0.00 0.19 2.46 -1.04 -1.26 -3.90 114.28 110.65 1jvr n THR 21 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1jvr n THR 21 Cb 0.00 -0.88 0.49 0.00 -1.82 0.00 0.00 70.33 68.12 1jvr n THR 21 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jvr n HIS 22 N -2.64 0.63 -0.07 -1.42 -0.00 -1.26 0.16 115.22 110.62 1jvr n HIS 22 Ca 0.00 0.31 -0.09 0.00 -0.00 0.00 0.00 57.72 57.95 1jvr n HIS 22 Cb 0.45 -1.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.36 1jvr n HIS 22 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1jvr n HIS 23 N -2.14 0.00 -0.07 1.57 -0.00 -1.26 -4.36 115.22 108.96 1jvr n HIS 23 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.58 1jvr n HIS 23 Cb 0.06 -0.56 -0.06 0.00 -0.00 0.00 0.00 29.99 29.44 1jvr n HIS 23 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1jvr h TRP 24 N 0.00 0.70 -0.59 -1.40 -0.00 -1.49 -2.57 115.95 110.60 1jvr h TRP 24 Ca -0.32 -0.22 0.17 0.00 -0.00 0.00 0.00 58.89 58.52 1jvr h TRP 24 Cb 1.56 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 30.56 1jvr h TRP 24 CO 0.01 0.93 0.47 1.25 -0.00 0.00 0.00 178.44 181.09 1jvr h LEU 25 N 0.27 0.00 -1.45 0.65 5.85 0.13 1.72 115.31 122.48 1jvr h LEU 25 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jvr h LEU 25 Cb 0.83 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1jvr h LEU 25 CO 0.06 0.00 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.01 1jvr h ASN 26 N 0.00 0.00 0.03 1.25 -1.24 -1.64 0.26 115.58 114.24 1jvr h ASN 26 Ca 0.28 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.92 1jvr h ASN 26 Cb 1.21 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.19 1jvr h ASN 26 CO -0.00 0.02 -2.37 0.33 -1.29 0.00 0.00 177.43 174.12 1jvr n PHE 27 N -3.12 0.10 0.09 0.67 -0.00 0.54 -4.02 117.46 111.72 1jvr n PHE 27 Ca 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 57.45 57.41 1jvr n PHE 27 Cb 0.31 -1.02 0.03 0.00 -0.00 0.00 0.00 39.48 38.81 1jvr n PHE 27 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jvr h LEU 28 N 0.00 0.20 -0.15 -2.13 5.85 -0.18 -2.71 115.31 116.19 1jvr h LEU 28 Ca -0.54 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 1jvr h LEU 28 Cb 2.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1jvr h LEU 28 CO -0.01 0.92 0.08 1.56 -0.34 0.00 0.00 178.44 180.66 1jvr h GLN 29 N 0.10 0.21 -0.31 1.25 4.20 -0.68 0.84 115.11 120.71 1jvr h GLN 29 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1jvr h GLN 29 Cb 1.40 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 1jvr h GLN 29 CO 0.12 0.23 0.19 0.00 -0.67 0.00 0.00 178.83 178.70 1jvr h ALA 30 N 0.97 0.40 -0.81 3.87 0.00 -1.69 -0.13 119.26 121.88 1jvr h ALA 30 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jvr h ALA 30 Cb 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1jvr h ALA 30 CO -0.01 -0.11 0.53 0.00 0.00 0.00 0.00 179.25 179.66 1jvr h ALA 31 N 1.08 1.63 0.00 0.00 0.00 -1.23 0.40 119.26 121.14 1jvr h ALA 31 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jvr h ALA 31 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jvr h ALA 31 CO -0.02 0.24 0.00 0.98 0.00 0.00 0.00 179.25 180.45 1jvr n TYR 32 N -4.49 0.33 0.89 0.00 9.36 0.27 -2.42 117.16 121.09 1jvr n TYR 32 Ca 0.12 0.11 0.11 0.00 3.32 0.00 0.00 57.90 61.56 1jvr n TYR 32 Cb 0.23 -0.67 0.12 0.00 -0.63 0.00 0.00 39.34 38.38 1jvr n TYR 32 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1jvr n ARG 33 N -1.78 0.08 -0.07 2.98 0.63 0.13 -4.15 116.66 114.48 1jvr n ARG 33 Ca 0.05 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.77 1jvr n ARG 33 Cb 0.31 -1.53 -0.12 0.00 0.45 0.00 0.00 32.46 31.57 1jvr n ARG 33 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1jvr h LEU 34 N 0.00 0.14 -2.75 6.15 3.38 -0.97 -3.50 115.31 117.76 1jvr h LEU 34 Ca 0.00 -0.65 -0.14 0.00 0.09 0.00 0.00 57.88 57.18 1jvr h LEU 34 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jvr h LEU 34 CO 0.00 1.61 -0.44 1.67 0.09 0.00 0.00 178.44 181.36 1jvr n GLN 35 N -4.14 -1.64 -1.27 1.13 7.27 -1.13 -4.78 117.38 112.82 1jvr n GLN 35 Ca -0.32 1.47 -0.38 0.00 0.07 0.00 0.00 57.00 57.84 1jvr n GLN 35 Cb 0.80 -4.69 -0.03 0.00 2.41 0.00 0.00 30.24 28.73 1jvr n GLN 35 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1jvr n PRO 36 N -1.51 2.36 0.00 3.69 -0.04 -1.26 -4.85 135.00 133.39 1jvr n PRO 36 Ca -0.05 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1jvr n PRO 36 Cb 0.55 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1jvr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 37 N 4.11 -0.17 0.00 0.55 0.00 -1.26 -4.60 105.19 103.82 1jvr n GLY 37 Ca 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1jvr n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jvr n PRO 38 N 0.80 0.00 -3.64 1.61 -0.04 -1.26 -5.04 135.00 127.43 1jvr n PRO 38 Ca 0.00 0.32 -0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1jvr n PRO 38 Cb 0.00 -0.94 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1jvr n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr s SER 39 N -2.20 -0.19 0.00 3.54 0.15 -1.26 -5.11 113.70 108.63 1jvr s SER 39 Ca 0.00 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1jvr s SER 39 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1jvr s SER 39 CO 0.00 -0.07 0.00 -0.67 1.20 0.00 0.00 173.24 173.70 1jvr n ASP 40 N 1.76 0.00 0.00 5.45 4.64 -1.26 -5.09 116.55 122.05 1jvr n ASP 40 Ca -0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.30 1jvr n ASP 40 Cb 0.57 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.65 1jvr n ASP 40 CO 0.00 0.00 0.00 0.33 -0.82 0.00 0.00 177.20 176.71 1jvr n PHE 41 N -0.74 0.00 1.90 -0.67 7.35 -1.26 -4.99 117.46 119.05 1jvr n PHE 41 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 1jvr n PHE 41 Cb 0.00 0.00 0.90 0.00 0.35 0.00 0.00 39.48 40.73 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1jvr n ASP 42 N 0.00 0.08 0.08 -2.13 5.75 -1.26 -2.91 116.55 116.16 1jvr n ASP 42 Ca 0.00 -0.92 0.13 0.00 -0.01 0.00 0.00 54.79 53.99 1jvr n ASP 42 Cb 0.00 -0.03 0.40 0.00 -1.03 0.00 0.00 41.12 40.46 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jvr n PHE 43 N -0.98 0.74 0.12 2.11 3.01 -1.26 -3.57 117.46 117.63 1jvr n PHE 43 Ca 0.22 0.21 -0.13 0.00 1.01 0.00 0.00 57.45 58.77 1jvr n PHE 43 Cb 0.14 -0.83 -0.08 0.00 -0.01 0.00 0.00 39.48 38.70 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1jvr h GLN 44 N 0.00 -0.32 0.00 -1.08 5.75 -1.92 0.67 115.11 118.21 1jvr h GLN 44 Ca 0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1jvr h GLN 44 Cb 0.70 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.32 1jvr h GLN 44 CO 0.00 0.01 -0.07 1.96 -2.65 0.00 0.00 178.83 178.08 1jvr h GLN 45 N -0.68 0.00 0.00 1.69 7.50 -1.80 -0.91 115.11 120.92 1jvr h GLN 45 Ca -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 1jvr h GLN 45 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 1jvr h GLN 45 CO 0.06 0.07 -0.00 -0.07 -1.50 0.00 0.00 178.83 177.38 1jvr h LEU 46 N 0.00 0.00 -2.16 1.46 3.38 -1.56 -2.96 115.31 113.47 1jvr h LEU 46 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jvr h LEU 46 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jvr h LEU 46 CO 0.01 0.66 0.28 -0.09 0.09 0.00 0.00 178.44 179.39 1jvr h ARG 47 N -1.00 0.00 0.21 1.13 2.43 0.55 0.44 114.38 118.14 1jvr h ARG 47 Ca -0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 1jvr h ARG 47 Cb 0.31 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1jvr h ARG 47 CO -0.00 0.00 -1.40 0.00 -1.51 0.00 0.00 179.97 177.06 1jvr h ARG 48 N 0.00 0.50 0.06 0.20 2.47 -1.21 -2.05 114.38 114.35 1jvr h ARG 48 Ca 0.00 -0.82 -0.24 0.00 -1.26 0.00 0.00 59.98 57.66 1jvr h ARG 48 Cb 0.56 0.30 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 1jvr h ARG 48 CO -0.00 1.39 -1.07 0.35 0.56 0.00 0.00 179.97 181.20 1jvr h PHE 49 N 0.15 0.35 0.15 3.04 3.57 -0.16 -2.93 116.94 121.12 1jvr h PHE 49 Ca -0.22 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1jvr h PHE 49 Cb 2.09 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.81 1jvr h PHE 49 CO 0.11 1.13 -0.07 -0.07 -2.23 0.00 0.00 178.31 177.18 1jvr h LEU 50 N 0.08 -0.17 -2.02 0.59 3.38 -0.57 -2.65 115.31 113.95 1jvr h LEU 50 Ca -0.08 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 57.69 1jvr h LEU 50 Cb 1.77 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1jvr h LEU 50 CO 0.17 0.30 0.38 0.50 0.09 0.00 0.00 178.44 179.87 1jvr h LYS 51 N -0.70 0.00 0.10 1.13 3.64 -1.47 0.65 116.57 119.92 1jvr h LYS 51 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1jvr h LYS 51 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1jvr h LYS 51 CO 0.03 0.00 -0.05 1.25 -2.27 0.00 0.00 179.45 178.42 1jvr h LEU 52 N 0.00 -0.12 -1.64 5.20 6.46 -1.31 -2.64 115.31 121.27 1jvr h LEU 52 Ca 0.22 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1jvr h LEU 52 Cb 0.98 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1jvr h LEU 52 CO -0.00 0.16 -0.04 0.00 -0.62 0.00 0.00 178.44 177.94 1jvr h ALA 53 N 0.47 1.71 -0.72 1.25 0.00 -0.61 -0.89 119.26 120.46 1jvr h ALA 53 Ca -0.01 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1jvr h ALA 53 Cb 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1jvr h ALA 53 CO 0.02 0.22 0.51 1.25 0.00 0.00 0.00 179.25 181.25 1jvr h LEU 54 N 0.18 0.12 0.00 0.00 5.85 -0.64 1.77 115.31 122.58 1jvr h LEU 54 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1jvr h LEU 54 Cb 0.19 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1jvr h LEU 54 CO 0.01 0.06 0.00 1.17 -0.34 0.00 0.00 178.44 179.33 1jvr n LYS 55 N -4.38 0.06 -3.86 1.25 0.00 -0.34 -3.82 118.16 107.06 1jvr n LYS 55 Ca 0.14 0.24 -0.29 0.00 0.00 0.00 0.00 58.31 58.40 1jvr n LYS 55 Cb 0.71 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 34.12 1jvr n LYS 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jvr s THR 56 N -2.88 2.54 -0.39 3.15 2.01 0.60 -4.97 115.64 115.70 1jvr s THR 56 Ca 0.08 -3.82 -0.05 0.00 0.31 0.00 0.00 61.69 58.21 1jvr s THR 56 Cb 0.09 -2.70 -0.16 0.00 0.01 0.00 0.00 72.50 69.74 1jvr s THR 56 CO 0.24 -0.96 2.73 -0.81 -0.69 0.00 0.00 174.62 175.12 1jvr n PRO 57 N 2.42 1.90 -0.00 4.92 -0.04 -1.25 -3.38 135.00 139.57 1jvr n PRO 57 Ca 0.16 -1.07 0.01 0.00 -0.04 0.00 0.00 63.50 62.56 1jvr n PRO 57 Cb 0.35 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1jvr n PRO 57 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 58 N 3.04 0.02 -0.01 0.52 0.13 -1.26 -4.41 119.36 117.39 1jvr n ILE 58 Ca 0.41 -0.07 0.04 0.00 -1.10 0.00 0.00 62.75 62.02 1jvr n ILE 58 Cb 0.53 0.27 -0.13 0.00 -0.84 0.00 0.00 39.64 39.47 1jvr n ILE 58 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 1jvr n TRP 59 N -1.66 0.32 0.14 9.51 4.27 -1.22 -3.99 117.44 124.81 1jvr n TRP 59 Ca -0.01 0.10 -0.13 0.00 -3.89 0.00 0.00 57.50 53.57 1jvr n TRP 59 Cb 0.14 -0.80 -0.08 0.00 -1.36 0.00 0.00 31.31 29.21 1jvr n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1jvr h LEU 60 N 0.00 -0.32 -0.24 5.67 4.07 -1.81 1.36 115.31 124.05 1jvr h LEU 60 Ca -0.17 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 57.63 1jvr h LEU 60 Cb 1.43 0.08 -0.07 0.00 1.08 0.00 0.00 40.66 43.18 1jvr h LEU 60 CO 0.02 0.07 -0.53 0.78 -1.08 0.00 0.00 178.44 177.70 1jvr h ASN 61 N -0.76 -1.72 0.66 -0.43 4.21 -1.77 0.33 115.58 116.11 1jvr h ASN 61 Ca -0.04 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1jvr h ASN 61 Cb 0.50 0.68 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1jvr h ASN 61 CO 0.06 -0.43 0.00 -0.81 -1.29 0.00 0.00 177.43 174.96 1jvr n PRO 62 N -5.29 0.09 -2.83 0.81 -0.04 -1.23 -4.95 135.00 121.56 1jvr n PRO 62 Ca -0.05 0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1jvr n PRO 62 Cb 0.35 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1jvr n PRO 62 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 63 N -1.44 -2.04 -3.50 0.52 0.13 0.46 -4.98 119.36 108.52 1jvr n ILE 63 Ca 0.07 0.33 -0.02 0.00 -1.10 0.00 0.00 62.75 62.03 1jvr n ILE 63 Cb 0.23 -2.60 -0.05 0.00 -0.84 0.00 0.00 39.64 36.38 1jvr n ILE 63 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jvr s ASP 64 N -0.92 -0.91 0.36 9.51 -1.08 -0.92 -5.01 116.67 117.70 1jvr s ASP 64 Ca 0.08 1.17 0.27 0.00 -0.52 0.00 0.00 52.55 53.55 1jvr s ASP 64 Cb -0.01 1.98 1.26 0.00 -1.46 0.00 0.00 42.92 44.70 1jvr s ASP 64 CO 0.18 -0.24 1.80 0.22 0.52 0.00 0.00 175.17 177.65 1jvr h TYR 65 N 8.05 0.00 0.00 -5.34 5.03 -1.93 -1.91 116.97 120.87 1jvr h TYR 65 Ca -0.19 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 1jvr h TYR 65 Cb 1.12 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.40 1jvr h TYR 65 CO 0.17 0.00 -0.03 1.03 -1.32 0.00 0.00 178.16 178.01 1jvr h SER 66 N 0.00 0.00 0.88 -2.11 0.87 -1.95 0.17 113.55 111.41 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jvr h SER 66 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1jvr h SER 66 CO 0.00 0.03 -1.05 -0.11 -0.53 0.00 0.00 176.83 175.17 1jvr n LEU 67 N -3.56 0.76 0.35 2.23 0.00 -0.72 -4.02 117.00 112.04 1jvr n LEU 67 Ca -0.03 0.28 -0.14 0.00 0.00 0.00 0.00 56.01 56.12 1jvr n LEU 67 Cb 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 43.42 43.41 1jvr n LEU 67 CO 0.26 -0.15 0.37 -0.07 0.00 0.00 0.00 177.39 177.80 1jvr h LEU 68 N 0.00 -0.78 -1.57 -1.96 3.38 -0.75 -2.17 115.31 111.47 1jvr h LEU 68 Ca 0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1jvr h LEU 68 Cb 0.96 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1jvr h LEU 68 CO 0.00 -0.40 0.55 0.00 0.09 0.00 0.00 178.44 178.68 1jvr h ALA 69 N -1.27 1.79 -0.05 1.53 0.00 -1.65 0.84 119.26 120.45 1jvr h ALA 69 Ca -0.09 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1jvr h ALA 69 Cb 0.70 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jvr h ALA 69 CO 0.15 -0.65 -0.58 1.03 0.00 0.00 0.00 179.25 179.20 1jvr h SER 70 N 0.00 0.59 -0.99 0.00 0.87 -1.59 -3.18 113.55 109.25 1jvr h SER 70 Ca 0.09 -0.71 0.10 0.00 -1.23 0.00 0.00 61.79 60.04 1jvr h SER 70 Cb 1.20 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.90 1jvr h SER 70 CO -0.00 1.21 0.63 -0.07 -0.53 0.00 0.00 176.83 178.08 1jvr h LEU 71 N 0.03 0.96 -7.27 2.23 4.07 0.13 -3.41 115.31 112.04 1jvr h LEU 71 Ca -0.06 0.03 -0.52 0.00 0.08 0.00 0.00 57.88 57.40 1jvr h LEU 71 Cb 1.26 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.76 1jvr h LEU 71 CO 0.12 0.56 1.48 -0.38 -1.08 0.00 0.00 178.44 179.14 1jvr n ILE 72 N -4.56 0.00 -2.42 1.22 2.08 -0.99 -4.78 119.36 109.91 1jvr n ILE 72 Ca 0.17 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 63.06 1jvr n ILE 72 Cb 0.28 -0.45 -0.02 0.00 -0.75 0.00 0.00 39.64 38.69 1jvr n ILE 72 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1jvr s PRO 73 N 7.40 4.27 -0.96 0.38 0.04 -1.26 -3.75 135.00 141.12 1jvr s PRO 73 Ca 1.19 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.88 1jvr s PRO 73 Cb -1.21 -3.69 0.04 0.00 0.04 0.00 0.00 34.50 29.68 1jvr s PRO 73 CO 0.49 -0.62 0.10 1.63 0.04 0.00 0.00 177.00 178.64 1jvr n LYS 74 N 6.10 -0.93 -2.04 4.56 5.02 -1.26 -3.52 118.16 126.09 1jvr n LYS 74 Ca 0.13 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1jvr n LYS 74 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jvr n GLY 75 N -1.61 -4.78 2.69 0.72 0.00 -1.25 -5.00 105.19 95.96 1jvr n GLY 75 Ca -0.12 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1jvr n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jvr n TYR 76 N 1.70 -3.99 -1.54 1.61 9.36 -1.23 -5.07 117.16 118.01 1jvr n TYR 76 Ca 0.00 -0.82 -0.29 0.00 3.32 0.00 0.00 57.90 60.11 1jvr n TYR 76 Cb 0.00 -0.72 0.14 0.00 -0.63 0.00 0.00 39.34 38.13 1jvr n TYR 76 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1jvr s PRO 77 N -5.03 1.07 1.16 2.98 0.04 -1.26 -4.68 135.00 129.28 1jvr s PRO 77 Ca 0.53 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1jvr s PRO 77 Cb -0.01 -1.83 0.22 0.00 0.04 0.00 0.00 34.50 32.91 1jvr s PRO 77 CO 0.37 -2.24 0.64 0.41 0.04 0.00 0.00 177.00 176.23 1jvr n GLY 78 N -2.22 -2.20 2.70 0.56 0.00 -1.26 -3.12 105.19 99.65 1jvr n GLY 78 Ca 0.07 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1jvr n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jvr n ARG 79 N -3.89 -0.49 0.00 1.61 3.00 -1.26 -4.73 116.66 110.89 1jvr n ARG 79 Ca 0.02 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1jvr n ARG 79 Cb 0.57 -3.57 0.00 0.00 0.00 0.00 0.00 32.46 29.46 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jvr n VAL 80 N -2.42 0.00 -0.37 5.15 0.31 -1.18 -4.09 118.33 115.73 1jvr n VAL 80 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1jvr n VAL 80 Cb 0.12 -0.13 0.17 0.00 -0.91 0.00 0.00 33.84 33.09 1jvr n VAL 80 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1jvr h VAL 81 N 0.00 1.12 -0.13 2.52 2.07 -1.83 0.20 116.25 120.19 1jvr h VAL 81 Ca 0.00 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1jvr h VAL 81 Cb 0.00 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.57 1jvr h VAL 81 CO 0.00 0.22 0.31 -0.08 0.02 0.00 0.00 177.57 178.04 1jvr h GLU 82 N 1.20 0.00 0.05 1.57 4.81 -1.90 1.72 114.58 122.03 1jvr h GLU 82 Ca 0.42 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.31 1jvr h GLU 82 Cb 0.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1jvr h GLU 82 CO -0.15 0.00 -1.97 -0.89 -0.73 0.00 0.00 179.01 175.27 1jvr n ILE 83 N -3.24 1.65 0.04 2.32 5.41 0.59 -4.03 119.36 122.10 1jvr n ILE 83 Ca 0.01 -0.72 -0.12 0.00 1.00 0.00 0.00 62.75 62.91 1jvr n ILE 83 Cb 0.40 -1.30 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1jvr n ILE 83 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1jvr h ILE 84 N 0.03 1.37 -0.62 1.39 2.04 0.58 -2.97 117.51 119.33 1jvr h ILE 84 Ca -0.40 -2.22 0.16 0.00 1.00 0.00 0.00 64.86 63.41 1jvr h ILE 84 Cb 2.04 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 40.28 1jvr h ILE 84 CO 0.06 0.67 0.44 -1.13 0.00 0.00 0.00 178.15 178.19 1jvr h ASN 85 N 0.31 0.11 -0.18 1.72 -1.24 0.22 0.62 115.58 117.13 1jvr h ASN 85 Ca -0.05 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.89 1jvr h ASN 85 Cb 1.42 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.44 1jvr h ASN 85 CO 0.15 0.06 -0.11 0.40 -1.29 0.00 0.00 177.43 176.64 1jvr h ILE 86 N 0.12 1.23 -0.10 2.57 2.04 -1.66 0.55 117.51 122.26 1jvr h ILE 86 Ca 0.30 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 64.98 1jvr h ILE 86 Cb 1.02 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1jvr h ILE 86 CO -0.04 0.34 -0.57 -0.07 0.00 0.00 0.00 178.15 177.81 1jvr h LEU 87 N 0.50 0.67 0.11 1.44 3.38 0.08 -1.83 115.31 119.67 1jvr h LEU 87 Ca 0.09 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1jvr h LEU 87 Cb 0.49 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jvr h LEU 87 CO 0.03 1.22 -0.05 0.58 0.09 0.00 0.00 178.44 180.30 1jvr h VAL 88 N 0.18 1.02 0.00 1.22 2.07 -0.76 -1.31 116.25 118.67 1jvr h VAL 88 Ca -0.04 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1jvr h VAL 88 Cb 1.21 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1jvr h VAL 88 CO 0.12 0.12 0.00 1.17 0.02 0.00 0.00 177.57 179.00 1jvr n LYS 89 N -5.05 0.14 -0.01 1.57 3.00 0.19 -2.66 118.16 115.34 1jvr n LYS 89 Ca -0.08 0.57 -0.01 0.00 -0.00 0.00 0.00 58.31 58.79 1jvr n LYS 89 Cb 0.18 -1.89 -0.00 0.00 0.00 0.00 0.00 35.03 33.32 1jvr n LYS 89 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1jvr h ASN 90 N 0.00 -0.03 0.00 3.14 -0.73 -0.40 -3.49 115.58 114.08 1jvr h ASN 90 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1jvr h ASN 90 Cb 0.09 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1jvr h ASN 90 CO 0.00 0.17 0.00 0.00 -0.37 0.00 0.00 177.43 177.23 1jvr n GLN 91 N -3.14 0.00 -2.79 6.67 0.00 -0.59 -4.99 117.38 112.55 1jvr n GLN 91 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 56.90 1jvr n GLN 91 Cb 0.01 0.00 0.08 0.00 0.00 0.00 0.00 30.24 30.33 1jvr n GLN 91 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1jvr n VAL 92 N 0.00 0.02 0.00 -0.39 3.14 -1.19 -2.96 118.33 116.95 1jvr n VAL 92 Ca 0.00 -2.03 0.00 0.00 -2.96 0.00 0.00 64.34 59.35 1jvr n VAL 92 Cb 0.00 1.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.88 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1jvr n SER 93 N 0.13 0.00 -4.54 6.55 7.64 -1.26 -4.55 113.62 117.59 1jvr n SER 93 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 1jvr n SER 93 Cb 0.73 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.90 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 94 N 0.00 2.41 -1.29 1.43 -0.04 -1.26 -4.82 135.00 131.42 1jvr n PRO 94 Ca 0.00 -2.86 0.15 0.00 -0.04 0.00 0.00 63.50 60.75 1jvr n PRO 94 Cb 0.00 -3.59 -0.07 0.00 -0.04 0.00 0.00 33.50 29.80 1jvr n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jvr n SER 95 N 11.13 -6.83 -3.95 3.54 3.41 -1.26 -4.80 113.62 114.86 1jvr n SER 95 Ca 0.47 1.04 -0.37 0.00 -0.26 0.00 0.00 58.87 59.75 1jvr n SER 95 Cb 0.46 -4.29 0.01 0.00 -0.26 0.00 0.00 64.21 60.13 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvr n ALA 96 N -3.62 -2.70 -0.98 7.33 0.00 -1.26 -4.70 120.51 114.58 1jvr n ALA 96 Ca -0.06 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 1jvr n ALA 96 Cb 0.61 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1jvr n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 97 N -3.99 2.77 -2.61 0.00 -0.04 -1.26 -3.59 135.00 126.29 1jvr n PRO 97 Ca -0.20 -1.77 -0.04 0.00 -0.04 0.00 0.00 63.50 61.44 1jvr n PRO 97 Cb 0.62 -2.60 0.04 0.00 -0.04 0.00 0.00 33.50 31.52 1jvr n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jvr n ALA 98 N 3.93 -0.91 -3.13 0.55 0.00 -1.26 -4.93 120.51 114.75 1jvr n ALA 98 Ca 0.59 -0.72 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jvr n ALA 98 Cb 0.18 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1jvr n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvr n ALA 99 N -0.56 -2.12 -1.43 0.00 0.00 -1.16 -4.94 120.51 110.30 1jvr n ALA 99 Ca -0.18 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1jvr n ALA 99 Cb 0.72 -0.58 0.20 0.00 0.00 0.00 0.00 19.45 19.79 1jvr n ALA 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 100 N 1.29 -1.99 -1.82 0.00 -0.04 -1.26 -5.02 135.00 126.17 1jvr n PRO 100 Ca -0.00 -1.66 -0.33 0.00 -0.04 0.00 0.00 63.50 61.47 1jvr n PRO 100 Cb 0.43 -1.31 0.04 0.00 -0.04 0.00 0.00 33.50 32.62 1jvr n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jvr s VAL 101 N -3.13 3.38 -0.25 0.52 -7.23 -1.26 -4.95 120.40 107.48 1jvr s VAL 101 Ca 0.64 0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 61.16 1jvr s VAL 101 Cb -0.04 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 1jvr s VAL 101 CO 0.47 -0.40 1.33 -2.16 -0.31 0.00 0.00 175.10 174.02 1jvr s PRO 102 N -4.10 4.01 -0.25 4.82 0.04 -1.26 -4.22 135.00 134.04 1jvr s PRO 102 Ca 0.66 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 1jvr s PRO 102 Cb -0.19 -3.86 0.01 0.00 0.04 0.00 0.00 34.50 30.50 1jvr s PRO 102 CO 0.41 -1.01 0.18 2.41 0.04 0.00 0.00 177.00 179.03 1jvr n THR 103 N 5.96 -7.63 -2.31 1.26 -1.04 -1.26 -4.76 114.28 104.50 1jvr n THR 103 Ca 0.15 1.05 -0.34 0.00 -2.04 0.00 0.00 64.05 62.86 1jvr n THR 103 Cb 0.46 -5.29 -0.04 0.00 -1.82 0.00 0.00 70.33 63.64 1jvr n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 104 N -1.69 3.11 0.56 -2.82 0.04 -1.26 -4.96 135.00 127.99 1jvr s PRO 104 Ca 0.09 -0.90 -0.21 0.00 0.04 0.00 0.00 61.00 60.02 1jvr s PRO 104 Cb -0.02 -5.25 -0.04 0.00 0.04 0.00 0.00 34.50 29.23 1jvr s PRO 104 CO 0.54 -2.86 1.32 0.42 0.04 0.00 0.00 177.00 176.46 1jvr s ILE 105 N 7.53 2.19 -0.31 0.56 1.01 -1.26 -5.00 121.20 125.92 1jvr s ILE 105 Ca 0.59 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.28 1jvr s ILE 105 Cb -0.02 -3.06 0.19 0.00 0.01 0.00 0.00 42.46 39.57 1jvr s ILE 105 CO -0.02 -0.01 1.02 0.00 0.00 0.00 0.00 174.94 175.93 1jvr s PRO 107 N 2.47 4.45 0.57 0.00 0.04 -1.26 -4.76 135.00 136.51 1jvr s PRO 107 Ca 0.21 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1jvr s PRO 107 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1jvr s PRO 107 CO -0.19 -0.23 0.00 2.41 0.04 0.00 0.00 177.00 179.04 1jvr n THR 108 N 3.92 -4.10 0.00 1.26 -1.04 -1.26 -5.04 114.28 108.03 1jvr n THR 108 Ca 0.08 1.94 0.00 0.00 -2.04 0.00 0.00 64.05 64.03 1jvr n THR 108 Cb 0.47 -2.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.09 1jvr n THR 108 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jvr n THR 109 N -1.82 0.00 -3.86 12.58 -2.24 -1.26 -5.07 114.28 112.61 1jvr n THR 109 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1jvr n THR 109 Cb 0.26 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1jvr n THR 109 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvr n THR 110 N -1.93 -2.85 -1.80 4.28 -2.24 -1.26 -4.89 114.28 103.59 1jvr n THR 110 Ca 0.00 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1jvr n THR 110 Cb 0.00 -2.50 0.03 0.00 -2.10 0.00 0.00 70.33 65.76 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1jvr s PRO 111 N -5.73 3.14 -0.33 -0.78 0.04 -1.26 -4.98 135.00 125.12 1jvr s PRO 111 Ca 0.16 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 1jvr s PRO 111 Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1jvr s PRO 111 CO 0.88 -0.94 1.36 -1.25 0.04 0.00 0.00 177.00 177.09 1jvr s PRO 112 N -4.63 3.80 0.81 0.56 0.04 -1.26 -5.01 135.00 129.32 1jvr s PRO 112 Ca 0.60 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1jvr s PRO 112 Cb -0.14 -3.94 0.08 0.00 0.04 0.00 0.00 34.50 30.54 1jvr s PRO 112 CO 0.47 -1.27 1.10 -1.25 0.04 0.00 0.00 177.00 176.10 1jvr s PRO 113 N 4.44 1.97 0.87 0.56 0.04 -1.26 -5.05 135.00 136.56 1jvr s PRO 113 Ca 0.59 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 1jvr s PRO 113 Cb -0.16 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.58 1jvr s PRO 113 CO 0.26 -1.69 1.12 -1.25 0.04 0.00 0.00 177.00 175.49 1jvr s PRO 114 N -5.18 1.49 -0.33 0.56 0.04 -1.26 -4.97 135.00 125.36 1jvr s PRO 114 Ca 0.61 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1jvr s PRO 114 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1jvr s PRO 114 CO 0.54 -1.98 1.36 -1.25 0.04 0.00 0.00 177.00 175.71 1jvr s PRO 115 N -5.23 3.80 0.94 0.56 0.04 -1.26 -5.01 135.00 128.83 1jvr s PRO 115 Ca 0.63 1.19 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1jvr s PRO 115 Cb -0.15 -3.94 0.15 0.00 0.04 0.00 0.00 34.50 30.61 1jvr s PRO 115 CO 0.54 -1.27 1.15 -1.25 0.04 0.00 0.00 177.00 176.21 1jvr s PRO 116 N 4.45 0.92 0.06 0.56 0.04 -1.26 -4.90 135.00 134.86 1jvr s PRO 116 Ca 0.59 0.20 -0.16 0.00 0.04 0.00 0.00 61.00 61.68 1jvr s PRO 116 Cb -0.17 -1.82 -0.21 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 116 CO 0.27 -2.33 1.20 -1.00 0.04 0.00 0.00 177.00 175.17 1jvr h PRO 117 N -1.59 0.63 -0.88 0.56 0.13 -1.98 -2.42 132.00 126.44 1jvr h PRO 117 Ca -0.50 -0.61 0.09 0.00 -0.87 0.00 0.00 66.00 64.11 1jvr h PRO 117 Cb 1.32 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.50 1jvr h PRO 117 CO 0.58 1.22 -0.49 0.45 -0.23 0.00 0.00 178.00 179.53 1jvr n SER 118 N -4.02 -0.87 0.02 1.44 2.88 -1.26 -2.80 113.62 109.02 1jvr n SER 118 Ca -0.10 1.56 -0.01 0.00 -1.33 0.00 0.00 58.87 58.99 1jvr n SER 118 Cb 0.76 -0.23 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1jvr n SER 118 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jvr h PRO 119 N 0.00 -0.08 -1.87 -1.46 0.13 -1.97 -3.50 132.00 123.25 1jvr h PRO 119 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1jvr h PRO 119 Cb 0.39 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1jvr h PRO 119 CO -0.84 -0.05 -0.48 -1.91 -0.23 0.00 0.00 178.00 174.49 1jvr n GLU 120 N -2.70 -2.10 -3.49 0.86 2.13 -0.91 -5.08 120.64 109.35 1jvr n GLU 120 Ca -0.01 1.62 0.03 0.00 0.66 0.00 0.00 57.16 59.46 1jvr n GLU 120 Cb 0.03 -1.99 -0.05 0.00 0.27 0.00 0.00 31.44 29.69 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jvr s ALA 121 N -4.41 -2.86 0.00 4.31 0.00 -1.26 -5.07 121.76 112.47 1jvr s ALA 121 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1jvr s ALA 121 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1jvr s ALA 121 CO 0.00 -0.55 0.94 -2.39 0.00 0.00 0.00 175.76 173.75 1jvr n HIS 122 N 3.66 0.00 0.00 0.00 1.44 -1.26 -4.90 115.22 114.16 1jvr n HIS 122 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1jvr n HIS 122 Cb 0.56 -0.44 0.00 0.00 0.12 0.00 0.00 29.99 30.23 1jvr n HIS 122 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1jvr n VAL 123 N -2.78 0.00 -2.00 0.61 0.31 -1.26 -5.14 118.33 108.06 1jvr n VAL 123 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1jvr n VAL 123 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jvr s PRO 124 N 0.00 3.32 0.60 5.55 0.04 -1.26 -5.04 135.00 138.21 1jvr s PRO 124 Ca 0.00 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 1jvr s PRO 124 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1jvr s PRO 124 CO 0.00 -0.80 1.05 -1.25 0.04 0.00 0.00 177.00 176.04 1jvr s PRO 125 N -4.23 3.35 -1.17 0.56 0.04 -1.26 -4.91 135.00 127.38 1jvr s PRO 125 Ca 0.62 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 125 Cb -0.15 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1jvr s PRO 125 CO 0.39 -0.78 2.30 -0.35 0.04 0.00 0.00 177.00 178.61 1jvr n PRO 126 N -2.12 2.51 0.00 0.56 -0.04 -1.26 -4.92 135.00 129.74 1jvr n PRO 126 Ca 0.08 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1jvr n PRO 126 Cb 0.53 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1jvr n PRO 126 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1jvr n TYR 127 N 5.18 -0.33 0.00 0.54 0.18 -1.26 -4.94 117.16 116.53 1jvr n TYR 127 Ca 0.56 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.34 1jvr n TYR 127 Cb 0.27 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 1jvr n TYR 127 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 1jvr n VAL 128 N -0.01 0.00 -0.37 -3.48 3.14 -1.26 -5.00 118.33 111.35 1jvr n VAL 128 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 1jvr n VAL 128 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1jvr n VAL 128 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jvr n GLU 129 N 0.00 -0.28 -2.32 1.45 4.71 -1.26 -2.74 120.64 120.20 1jvr n GLU 129 Ca 0.00 1.44 -0.35 0.00 -0.01 0.00 0.00 57.16 58.24 1jvr n GLU 129 Cb 0.00 -2.13 -0.03 0.00 -1.01 0.00 0.00 31.44 28.26 1jvr n GLU 129 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1jvr s PRO 130 N -5.77 3.22 0.55 3.49 0.04 -1.26 -4.95 135.00 130.32 1jvr s PRO 130 Ca -0.12 -1.49 -0.18 0.00 0.04 0.00 0.00 61.00 59.24 1jvr s PRO 130 Cb 0.17 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 29.28 1jvr s PRO 130 CO 0.65 -3.09 1.07 0.95 0.04 0.00 0.00 177.00 176.62 1jvr s THR 131 N 7.63 3.58 0.35 1.26 -4.23 -1.11 -4.89 115.64 118.22 1jvr s THR 131 Ca 0.61 0.88 0.15 0.00 -1.18 0.00 0.00 61.69 62.15 1jvr s THR 131 Cb 0.01 -3.35 0.37 0.00 1.34 0.00 0.00 72.50 70.87 1jvr s THR 131 CO 0.09 -0.31 1.58 0.71 -0.54 0.00 0.00 174.62 176.15 1jvr h THR 132 N 0.96 0.03 -2.19 3.99 1.35 -1.92 -3.40 112.91 111.74 1jvr h THR 132 Ca -0.49 -0.01 -0.44 0.00 -0.55 0.00 0.00 66.41 64.93 1jvr h THR 132 Cb 1.23 0.00 0.23 0.00 -1.73 0.00 0.00 68.15 67.88 1jvr h THR 132 CO 0.57 0.01 -1.12 0.35 -0.25 0.00 0.00 175.52 175.08 1jvr n THR 133 N -5.31 0.00 -2.24 6.82 -2.24 -1.26 -4.65 114.28 105.40 1jvr n THR 133 Ca 0.33 -0.26 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1jvr n THR 133 Cb 1.11 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1jvr n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jvr n GLN 134 N -1.85 -3.03 0.14 -0.78 1.13 -1.26 -5.05 117.38 106.68 1jvr n GLN 134 Ca 0.01 2.45 0.00 0.00 -1.94 0.00 0.00 57.00 57.52 1jvr n GLN 134 Cb 0.61 -3.77 0.00 0.00 0.11 0.00 0.00 30.24 27.19 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62