#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvr s MET 1 N 0.00 3.33 0.00 -0.41 1.00 -1.26 -4.62 119.30 117.34 1jvr s MET 1 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 55.69 55.42 1jvr s MET 1 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 34.83 30.88 1jvr s MET 1 CO 0.00 -1.07 0.00 0.41 0.00 0.00 0.00 175.02 174.36 1jvr n GLY 2 N 5.02 -2.08 1.13 -0.03 0.00 -1.26 -5.17 105.19 102.80 1jvr n GLY 2 Ca -0.00 0.74 0.15 0.00 0.00 0.00 0.00 46.02 46.91 1jvr n GLY 2 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jvr n GLN 3 N 0.00 -2.43 -3.64 1.61 1.13 -1.26 -5.00 117.38 107.78 1jvr n GLN 3 Ca 0.00 1.79 -0.11 0.00 -1.94 0.00 0.00 57.00 56.75 1jvr n GLN 3 Cb 0.00 -2.91 -0.07 0.00 0.11 0.00 0.00 30.24 27.36 1jvr n GLN 3 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1jvr s ILE 4 N -2.86 -0.00 0.15 5.09 1.10 -1.26 -5.06 121.20 118.37 1jvr s ILE 4 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 59.84 1jvr s ILE 4 Cb 0.00 -0.97 -0.07 0.00 0.15 0.00 0.00 42.46 41.57 1jvr s ILE 4 CO 0.00 0.00 1.53 1.12 -2.11 0.00 0.00 174.94 175.48 1jvr h HIS 5 N 5.99 -1.84 -2.21 3.50 2.07 -2.10 -3.19 115.15 117.36 1jvr h HIS 5 Ca -0.30 0.12 -0.60 0.00 -2.85 0.00 0.00 60.37 56.74 1jvr h HIS 5 Cb 1.19 0.92 -0.12 0.00 2.57 0.00 0.00 27.41 31.98 1jvr h HIS 5 CO 0.23 -0.38 0.95 0.20 -3.07 0.00 0.00 177.93 175.86 1jvr s GLY 6 N -2.46 1.27 -0.11 6.13 0.00 -1.26 -4.93 107.32 105.96 1jvr s GLY 6 Ca -0.12 -1.90 -0.30 0.00 0.00 0.00 0.00 44.72 42.40 1jvr s GLY 6 CO 0.61 2.38 0.73 -2.27 0.00 0.00 0.00 173.10 174.55 1jvr s LEU 7 N 4.61 -0.64 -0.31 0.66 0.20 -1.21 -5.11 118.68 116.88 1jvr s LEU 7 Ca 0.33 0.82 -0.08 0.00 0.69 0.00 0.00 54.13 55.89 1jvr s LEU 7 Cb -0.09 2.43 0.23 0.00 -0.43 0.00 0.00 46.19 48.33 1jvr s LEU 7 CO 0.05 -0.50 1.18 -1.54 -0.29 0.00 0.00 176.35 175.26 1jvr n SER 8 N 1.26 -1.11 0.02 3.68 3.41 -1.26 -5.06 113.62 114.55 1jvr n SER 8 Ca -0.17 -0.76 -0.10 0.00 -0.26 0.00 0.00 58.87 57.58 1jvr n SER 8 Cb 0.57 0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 65.00 1jvr n SER 8 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1jvr h PRO 9 N 3.90 -0.14 0.00 4.33 0.13 -2.02 -3.49 132.00 134.71 1jvr h PRO 9 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1jvr h PRO 9 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jvr h PRO 9 CO -0.15 0.34 0.00 2.41 -0.23 0.00 0.00 178.00 180.37 1jvr n THR 10 N -4.84 0.00 -0.38 1.56 -1.04 -1.26 -5.15 114.28 103.17 1jvr n THR 10 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1jvr n THR 10 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1jvr n THR 10 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1jvr n PRO 11 N 0.00 0.24 0.00 -2.82 -0.04 -1.26 -5.01 135.00 126.11 1jvr n PRO 11 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jvr n PRO 11 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1jvr n PRO 11 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 12 N -1.26 0.00 -0.20 0.52 3.06 -1.26 -5.05 119.36 115.17 1jvr n ILE 12 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1jvr n ILE 12 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1jvr n ILE 12 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1jvr n PRO 13 N -0.20 0.60 0.00 9.51 -0.04 -1.26 -4.89 135.00 138.72 1jvr n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jvr n PRO 13 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1jvr n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jvr n LYS 14 N -0.33 0.00 -0.74 0.54 2.85 -1.26 -4.98 118.16 114.24 1jvr n LYS 14 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1jvr n LYS 14 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jvr n ALA 15 N 3.04 -1.50 -0.88 0.58 0.00 -1.26 -4.33 120.51 116.16 1jvr n ALA 15 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 1jvr n ALA 15 Cb 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 1jvr n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 16 N -2.54 2.23 0.00 0.00 -0.04 -1.26 -4.60 135.00 128.79 1jvr n PRO 16 Ca -0.02 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1jvr n PRO 16 Cb 0.28 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1jvr n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jvr n ARG 17 N 3.38 0.00 0.00 0.54 1.74 -1.26 -5.12 116.66 115.94 1jvr n ARG 17 Ca 0.48 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1jvr n ARG 17 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jvr n GLY 18 N 0.00 -1.85 2.70 -0.13 0.00 -1.26 -4.81 105.19 99.84 1jvr n GLY 18 Ca 0.00 0.85 -0.23 0.00 0.00 0.00 0.00 46.02 46.64 1jvr n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jvr n LEU 19 N 0.00 4.45 -2.07 0.99 -0.00 -1.26 -4.64 117.00 114.48 1jvr n LEU 19 Ca 0.00 -2.74 0.00 0.00 -0.00 0.00 0.00 56.01 53.27 1jvr n LEU 19 Cb 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 43.42 42.37 1jvr n LEU 19 CO 0.00 0.36 -0.49 -1.20 -0.00 0.00 0.00 177.39 176.06 1jvr n SER 20 N 4.65 -9.15 0.20 1.45 7.64 -1.26 -4.20 113.62 112.96 1jvr n SER 20 Ca 0.42 1.40 -0.08 0.00 1.01 0.00 0.00 58.87 61.61 1jvr n SER 20 Cb 0.15 -5.14 -0.04 0.00 -1.01 0.00 0.00 64.21 58.17 1jvr n SER 20 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1jvr h THR 21 N 4.22 0.00 -1.00 0.44 2.02 -1.99 -1.15 112.91 115.45 1jvr h THR 21 Ca 0.00 -0.06 0.39 0.00 0.77 0.00 0.00 66.41 67.51 1jvr h THR 21 Cb 0.00 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.24 1jvr h THR 21 CO 0.00 0.00 0.54 -0.74 0.37 0.00 0.00 175.52 175.69 1jvr h HIS 22 N -0.58 0.85 -0.17 3.16 -0.00 -1.97 2.03 115.15 118.47 1jvr h HIS 22 Ca -0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1jvr h HIS 22 Cb 0.40 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1jvr h HIS 22 CO 0.11 -0.40 0.08 0.45 -0.00 0.00 0.00 177.93 178.17 1jvr h HIS 23 N 0.08 0.25 -0.34 5.26 -0.00 -1.76 0.20 115.15 118.84 1jvr h HIS 23 Ca 0.82 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 61.08 1jvr h HIS 23 Cb 2.09 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 29.42 1jvr h HIS 23 CO -0.01 0.28 -0.16 2.35 -0.00 0.00 0.00 177.93 180.39 1jvr h TRP 24 N 0.14 0.81 -0.89 2.45 -0.00 0.33 -2.57 115.95 116.23 1jvr h TRP 24 Ca 0.06 -0.20 0.18 0.00 -0.00 0.00 0.00 58.89 58.93 1jvr h TRP 24 Cb 0.13 -0.19 -0.07 0.00 -0.00 0.00 0.00 29.16 29.03 1jvr h TRP 24 CO -0.02 0.91 0.58 1.25 -0.00 0.00 0.00 178.44 181.15 1jvr h LEU 25 N 0.48 0.51 -2.01 0.65 5.85 0.28 1.61 115.31 122.67 1jvr h LEU 25 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jvr h LEU 25 Cb 0.69 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1jvr h LEU 25 CO 0.05 0.22 0.00 -1.13 -0.34 0.00 0.00 178.44 177.24 1jvr h ASN 26 N 0.52 0.00 0.00 1.25 -1.24 -0.53 0.29 115.58 115.87 1jvr h ASN 26 Ca 0.46 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 57.13 1jvr h ASN 26 Cb 0.99 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 1jvr h ASN 26 CO -0.20 0.00 -2.30 0.33 -1.29 0.00 0.00 177.43 173.97 1jvr n PHE 27 N -2.84 0.00 0.21 0.67 -0.00 0.49 -4.01 117.46 111.98 1jvr n PHE 27 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.53 1jvr n PHE 27 Cb 0.15 -0.91 0.39 0.00 -0.00 0.00 0.00 39.48 39.11 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 0.00 0.43 -2.13 5.85 0.59 -2.28 115.31 117.77 1jvr h LEU 28 Ca -0.51 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1jvr h LEU 28 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 1jvr h LEU 28 CO -0.02 0.26 -0.21 1.56 -0.34 0.00 0.00 178.44 179.69 1jvr h GLN 29 N 0.00 -0.56 -0.57 1.25 4.20 -0.62 -0.62 115.11 118.19 1jvr h GLN 29 Ca -0.00 0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.86 1jvr h GLN 29 Cb 0.84 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1jvr h GLN 29 CO 0.03 -0.35 0.39 0.00 -0.67 0.00 0.00 178.83 178.24 1jvr h ALA 30 N -1.09 2.17 -0.42 3.87 0.00 -1.69 0.17 119.26 122.27 1jvr h ALA 30 Ca -0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1jvr h ALA 30 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jvr h ALA 30 CO 0.10 -0.32 -0.27 0.00 0.00 0.00 0.00 179.25 178.77 1jvr h ALA 31 N 1.72 0.59 0.00 0.00 0.00 -1.39 -2.24 119.26 117.94 1jvr h ALA 31 Ca 0.27 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jvr h ALA 31 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jvr h ALA 31 CO -0.06 0.61 0.00 0.98 0.00 0.00 0.00 179.25 180.78 1jvr n TYR 32 N -4.14 0.00 1.12 0.00 9.36 0.53 0.93 117.16 124.95 1jvr n TYR 32 Ca -0.01 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.33 1jvr n TYR 32 Cb 0.48 -0.50 0.18 0.00 -0.63 0.00 0.00 39.34 38.86 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 -1.50 1.38 0.00 2.98 3.00 -0.85 -4.32 116.66 117.36 1jvr n ARG 33 Ca 0.02 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.83 1jvr n ARG 33 Cb 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1jvr n ARG 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jvr n LEU 34 N 0.11 1.87 -0.35 6.15 4.77 0.10 -4.76 117.00 124.89 1jvr n LEU 34 Ca 0.12 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1jvr n LEU 34 Cb 0.45 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1jvr n LEU 34 CO 0.24 0.29 0.57 1.67 -1.33 0.00 0.00 177.39 178.83 1jvr n GLN 35 N -2.55 -0.17 -2.31 3.23 7.27 0.26 -3.43 117.38 119.69 1jvr n GLN 35 Ca 0.00 1.44 -0.38 0.00 0.07 0.00 0.00 57.00 58.13 1jvr n GLN 35 Cb 0.44 -2.14 -0.03 0.00 2.41 0.00 0.00 30.24 30.92 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1jvr s PRO 36 N -5.98 2.98 0.00 3.69 0.04 -1.26 -4.39 135.00 130.08 1jvr s PRO 36 Ca -0.13 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1jvr s PRO 36 Cb 0.21 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1jvr s PRO 36 CO 0.68 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1jvr n GLY 37 N 6.04 -1.20 2.50 0.56 0.00 -1.22 -5.00 105.19 106.87 1jvr n GLY 37 Ca 0.21 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.02 2.76 0.00 1.61 -0.04 -1.26 -4.01 135.00 134.04 1jvr n PRO 38 Ca 0.00 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1jvr n PRO 38 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 1jvr n PRO 38 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jvr n SER 39 N 4.06 0.00 -3.20 3.54 3.41 -1.26 -5.18 113.62 114.99 1jvr n SER 39 Ca 0.59 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 59.01 1jvr n SER 39 Cb 0.18 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1jvr n SER 39 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jvr n ASP 40 N 0.00 -0.57 -2.23 4.04 4.64 -1.26 -4.64 116.55 116.53 1jvr n ASP 40 Ca 0.00 -1.17 -0.07 0.00 -1.38 0.00 0.00 54.79 52.17 1jvr n ASP 40 Cb 0.00 -0.65 0.04 0.00 -1.04 0.00 0.00 41.12 39.47 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1jvr n PHE 41 N -3.48 -1.09 -1.31 -0.67 3.72 -1.26 -4.96 117.46 108.42 1jvr n PHE 41 Ca 0.10 0.41 -0.06 0.00 -0.05 0.00 0.00 57.45 57.86 1jvr n PHE 41 Cb 0.37 -3.32 0.21 0.00 -0.94 0.00 0.00 39.48 35.80 1jvr n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jvr n ASP 42 N -2.17 3.10 -0.03 4.37 2.03 -1.26 -4.39 116.55 118.21 1jvr n ASP 42 Ca -0.07 -3.59 -0.03 0.00 0.52 0.00 0.00 54.79 51.62 1jvr n ASP 42 Cb 0.56 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 40.26 1jvr n ASP 42 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1jvr n PHE 43 N -0.96 0.00 0.08 -0.67 -0.00 -1.26 -4.37 117.46 110.28 1jvr n PHE 43 Ca 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.69 1jvr n PHE 43 Cb 1.16 -0.24 -0.09 0.00 -0.00 0.00 0.00 39.48 40.31 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1jvr h GLN 44 N 0.00 -0.19 0.00 -4.13 4.15 -1.99 0.50 115.11 113.45 1jvr h GLN 44 Ca -0.13 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1jvr h GLN 44 Cb 1.28 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1jvr h GLN 44 CO 0.00 0.14 0.00 0.94 -1.93 0.00 0.00 178.83 177.98 1jvr n GLN 45 N -5.03 0.32 -0.12 1.69 0.00 -1.26 -2.38 117.38 110.60 1jvr n GLN 45 Ca -0.09 0.10 -0.18 0.00 -0.00 0.00 0.00 57.00 56.83 1jvr n GLN 45 Cb 0.22 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.83 1jvr n GLN 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1jvr n LEU 46 N -1.22 2.75 0.03 1.69 0.00 -0.94 -4.14 117.00 115.17 1jvr n LEU 46 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 56.01 56.06 1jvr n LEU 46 Cb 0.12 -0.82 0.29 0.00 0.00 0.00 0.00 43.42 43.00 1jvr n LEU 46 CO 0.12 0.90 0.71 -1.14 0.00 0.00 0.00 177.39 177.98 1jvr n ARG 47 N -3.24 0.03 0.07 1.96 0.63 0.17 -2.10 116.66 114.19 1jvr n ARG 47 Ca -0.44 0.34 -0.23 0.00 -0.92 0.00 0.00 57.85 56.61 1jvr n ARG 47 Cb 1.01 -1.57 -0.15 0.00 0.45 0.00 0.00 32.46 32.19 1jvr n ARG 47 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1jvr h ARG 48 N 0.00 0.38 -0.29 -0.14 0.11 -1.68 -2.76 114.38 110.00 1jvr h ARG 48 Ca 0.00 -0.66 -0.08 0.00 0.10 0.00 0.00 59.98 59.34 1jvr h ARG 48 Cb 0.20 0.24 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 1jvr h ARG 48 CO 0.00 1.31 -0.18 0.35 0.10 0.00 0.00 179.97 181.55 1jvr h PHE 49 N -0.07 0.56 0.33 4.08 3.57 -1.58 -0.93 116.94 122.90 1jvr h PHE 49 Ca -0.27 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 1jvr h PHE 49 Cb 1.95 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.55 1jvr h PHE 49 CO 0.13 0.67 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.65 1jvr h LEU 50 N 0.47 -0.38 -2.08 0.59 3.38 -1.61 -2.23 115.31 113.46 1jvr h LEU 50 Ca 0.08 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1jvr h LEU 50 Cb 0.58 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1jvr h LEU 50 CO 0.04 0.06 0.33 0.11 0.09 0.00 0.00 178.44 179.08 1jvr h LYS 51 N -0.93 0.00 0.30 1.13 1.57 -1.45 -0.32 116.57 116.87 1jvr h LYS 51 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1jvr h LYS 51 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jvr h LYS 51 CO 0.07 0.00 -0.14 1.25 -0.57 0.00 0.00 179.45 180.06 1jvr h LEU 52 N 0.00 -0.34 -1.94 2.94 6.46 -0.98 -2.81 115.31 118.64 1jvr h LEU 52 Ca 0.16 -0.18 0.14 0.00 -0.12 0.00 0.00 57.88 57.88 1jvr h LEU 52 Cb 0.83 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 1jvr h LEU 52 CO -0.00 0.04 0.37 0.00 -0.62 0.00 0.00 178.44 178.23 1jvr h ALA 53 N -0.24 2.42 0.00 1.25 0.00 -0.48 0.91 119.26 123.12 1jvr h ALA 53 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jvr h ALA 53 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jvr h ALA 53 CO 0.07 -0.56 0.00 -0.11 0.00 0.00 0.00 179.25 178.64 1jvr n LEU 54 N -4.40 0.49 0.00 0.00 7.94 -0.61 -0.26 117.00 120.17 1jvr n LEU 54 Ca 0.09 0.70 0.11 0.00 -1.11 0.00 0.00 56.01 55.80 1jvr n LEU 54 Cb 0.56 -0.73 0.59 0.00 0.53 0.00 0.00 43.42 44.37 1jvr n LEU 54 CO 0.36 -0.79 0.85 0.29 -1.11 0.00 0.00 177.39 176.99 1jvr n LYS 55 N -2.13 0.45 -3.34 1.96 5.02 0.32 -4.25 118.16 116.18 1jvr n LYS 55 Ca -0.00 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1jvr n LYS 55 Cb 0.07 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jvr s THR 56 N -2.37 -0.48 -1.14 -0.18 -1.32 0.65 -5.05 115.64 105.75 1jvr s THR 56 Ca 0.25 -0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 59.98 1jvr s THR 56 Cb 0.15 -0.80 -0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1jvr s THR 56 CO 0.31 -0.43 2.19 -0.81 -2.21 0.00 0.00 174.62 173.66 1jvr n PRO 57 N 4.85 2.33 -0.00 7.08 -0.04 -1.26 -3.93 135.00 144.02 1jvr n PRO 57 Ca 0.05 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1jvr n PRO 57 Cb 0.47 -2.96 -0.01 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.11 0.01 0.05 0.52 0.13 -1.26 -4.47 119.36 119.45 1jvr n ILE 58 Ca 0.53 -0.02 0.10 0.00 -1.10 0.00 0.00 62.75 62.26 1jvr n ILE 58 Cb 0.33 0.15 -0.08 0.00 -0.84 0.00 0.00 39.64 39.20 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 -1.64 0.53 0.16 9.51 4.27 -1.25 -3.99 117.44 125.02 1jvr n TRP 59 Ca -0.00 0.16 -0.11 0.00 -3.89 0.00 0.00 57.50 53.65 1jvr n TRP 59 Cb 0.13 -0.77 -0.07 0.00 -1.36 0.00 0.00 31.31 29.25 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 -0.39 -0.57 5.67 4.07 -1.84 1.17 115.31 123.42 1jvr h LEU 60 Ca -0.02 -0.15 0.07 0.00 0.08 0.00 0.00 57.88 57.85 1jvr h LEU 60 Cb 1.06 0.10 -0.09 0.00 1.08 0.00 0.00 40.66 42.81 1jvr h LEU 60 CO 0.00 0.06 -0.54 0.78 -1.08 0.00 0.00 178.44 177.65 1jvr h ASN 61 N -0.96 -1.87 1.08 -0.43 2.35 -1.78 0.61 115.58 114.58 1jvr h ASN 61 Ca -0.05 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1jvr h ASN 61 Cb 0.52 0.79 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1jvr h ASN 61 CO 0.08 -0.36 0.00 -0.81 -1.65 0.00 0.00 177.43 174.69 1jvr n PRO 62 N -5.36 0.21 -2.96 0.81 -0.04 -1.24 -4.97 135.00 121.46 1jvr n PRO 62 Ca -0.01 0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1jvr n PRO 62 Cb 0.33 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -2.20 -1.86 -3.37 0.52 0.13 0.40 -4.99 119.36 107.99 1jvr n ILE 63 Ca 0.04 0.45 0.02 0.00 -1.10 0.00 0.00 62.75 62.16 1jvr n ILE 63 Cb 0.32 -2.75 -0.03 0.00 -0.84 0.00 0.00 39.64 36.35 1jvr n ILE 63 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1jvr s ASP 64 N -0.92 -0.93 0.12 9.51 3.84 -1.07 -5.00 116.67 122.22 1jvr s ASP 64 Ca 0.01 0.97 0.10 0.00 -0.00 0.00 0.00 52.55 53.62 1jvr s ASP 64 Cb -0.00 1.94 0.49 0.00 -1.38 0.00 0.00 42.92 43.97 1jvr s ASP 64 CO 0.02 -0.18 1.29 0.00 -0.00 0.00 0.00 175.17 176.30 1jvr n TYR 65 N 5.31 0.29 0.29 2.11 4.19 -1.26 -1.23 117.16 126.86 1jvr n TYR 65 Ca -0.08 0.15 0.17 0.00 3.31 0.00 0.00 57.90 61.45 1jvr n TYR 65 Cb 0.51 -0.73 0.85 0.00 0.49 0.00 0.00 39.34 40.46 1jvr n TYR 65 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1jvr h SER 66 N 0.00 0.00 0.54 2.98 0.87 -1.98 0.13 113.55 116.09 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 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1jvr h SER 66 CO 0.00 0.00 -1.21 -0.11 -0.53 0.00 0.00 176.83 174.98 1jvr n LEU 67 N -2.76 0.57 0.28 2.23 0.00 -0.36 -4.03 117.00 112.93 1jvr n LEU 67 Ca -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 56.01 55.99 1jvr n LEU 67 Cb 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 43.42 43.44 1jvr n LEU 67 CO 0.19 -0.04 0.35 -0.07 0.00 0.00 0.00 177.39 177.82 1jvr h LEU 68 N 0.00 -0.64 -1.79 -1.96 3.38 -0.86 -2.68 115.31 110.77 1jvr h LEU 68 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1jvr h LEU 68 Cb 0.87 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1jvr h LEU 68 CO 0.00 -0.32 0.48 0.00 0.09 0.00 0.00 178.44 178.70 1jvr h ALA 69 N -1.38 1.81 -0.60 1.53 0.00 -1.72 0.71 119.26 119.62 1jvr h ALA 69 Ca -0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1jvr h ALA 69 Cb 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jvr h ALA 69 CO 0.13 -0.60 0.01 1.03 0.00 0.00 0.00 179.25 179.81 1jvr h SER 70 N 0.00 1.02 0.02 0.00 0.87 -1.62 -1.39 113.55 112.46 1jvr h SER 70 Ca 0.11 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1jvr h SER 70 Cb 1.07 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1jvr h SER 70 CO -0.00 1.07 0.00 -0.07 -0.53 0.00 0.00 176.83 177.30 1jvr h LEU 71 N 0.96 0.00 -7.15 2.23 4.07 0.63 -3.15 115.31 112.90 1jvr h LEU 71 Ca 0.17 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.49 1jvr h LEU 71 Cb 0.54 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.88 1jvr h LEU 71 CO 0.03 0.00 -0.43 -0.63 -1.08 0.00 0.00 178.44 176.33 1jvr s ILE 72 N -3.60 3.32 -0.65 1.22 1.01 -0.52 -4.96 121.20 117.02 1jvr s ILE 72 Ca -0.02 -4.17 -0.06 0.00 0.00 0.00 0.00 60.65 56.39 1jvr s ILE 72 Cb 0.07 -3.14 -0.13 0.00 0.01 0.00 0.00 42.46 39.27 1jvr s ILE 72 CO 0.22 -1.03 2.64 -0.81 0.00 0.00 0.00 174.94 175.97 1jvr n PRO 73 N 2.07 2.17 -4.43 2.79 -0.04 -1.19 -4.54 135.00 131.83 1jvr n PRO 73 Ca 0.20 -1.29 -0.40 0.00 -0.04 0.00 0.00 63.50 61.97 1jvr n PRO 73 Cb 0.36 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 1jvr n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jvr n LYS 74 N 3.32 -1.52 0.00 0.54 4.76 -1.26 -4.72 118.16 119.28 1jvr n LYS 74 Ca 0.46 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1jvr n LYS 74 Cb 0.41 -4.77 0.00 0.00 -1.84 0.00 0.00 35.03 28.84 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jvr n GLY 75 N -1.27 -0.09 2.54 0.72 0.00 -1.26 -4.90 105.19 100.93 1jvr n GLY 75 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.03 -2.22 -1.53 1.61 9.36 -1.26 -5.15 117.16 117.94 1jvr n TYR 76 Ca 0.00 -2.44 -0.29 0.00 3.32 0.00 0.00 57.90 58.49 1jvr n TYR 76 Cb 0.19 0.84 0.15 0.00 -0.63 0.00 0.00 39.34 39.88 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 -0.01 0.91 0.00 2.98 0.04 -1.26 -4.76 135.00 132.90 1jvr s PRO 77 Ca 0.33 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1jvr s PRO 77 Cb 0.20 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1jvr s PRO 77 CO -0.19 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1jvr n GLY 78 N -2.23 -1.54 0.34 0.56 0.00 -1.26 -4.86 105.19 96.19 1jvr n GLY 78 Ca 0.08 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.98 1jvr n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jvr h ARG 79 N 0.05 0.21 0.40 1.61 -0.00 -1.96 0.65 114.38 115.34 1jvr h ARG 79 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.45 1jvr h ARG 79 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.93 1jvr h ARG 79 CO 0.00 0.14 -0.19 0.28 0.00 0.00 0.00 179.97 180.20 1jvr h VAL 80 N 0.21 0.25 -0.96 2.04 2.07 -1.92 -2.11 116.25 115.84 1jvr h VAL 80 Ca 0.20 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1jvr h VAL 80 Cb 0.50 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1jvr h VAL 80 CO -0.03 0.06 0.62 0.58 0.02 0.00 0.00 177.57 178.81 1jvr h VAL 81 N -1.06 1.01 -0.98 2.57 2.07 -1.73 0.46 116.25 118.59 1jvr h VAL 81 Ca -0.05 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1jvr h VAL 81 Cb 0.50 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1jvr h VAL 81 CO 0.09 0.19 0.64 -0.08 0.02 0.00 0.00 177.57 178.42 1jvr h GLU 82 N 1.03 1.15 -0.04 1.57 4.57 0.30 1.60 114.58 124.76 1jvr h GLU 82 Ca 0.44 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.43 1jvr h GLU 82 Cb 0.32 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1jvr h GLU 82 CO -0.19 0.76 -0.53 0.82 -1.18 0.00 0.00 179.01 178.69 1jvr h ILE 83 N 1.18 1.37 0.00 2.32 2.04 -0.25 -2.64 117.51 121.53 1jvr h ILE 83 Ca 0.40 -1.81 -0.18 0.00 1.00 0.00 0.00 64.86 64.28 1jvr h ILE 83 Cb 0.09 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1jvr h ILE 83 CO -0.14 0.53 -0.90 0.40 0.00 0.00 0.00 178.15 178.03 1jvr h ILE 84 N 0.09 1.35 -0.61 -0.67 2.04 0.43 -3.22 117.51 116.93 1jvr h ILE 84 Ca -0.00 -2.95 -0.04 0.00 1.00 0.00 0.00 64.86 62.87 1jvr h ILE 84 Cb 0.96 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.67 1jvr h ILE 84 CO 0.07 0.77 0.22 0.78 0.00 0.00 0.00 178.15 179.99 1jvr h ASN 85 N 0.00 0.83 -0.73 1.72 4.21 0.26 -1.54 115.58 120.33 1jvr h ASN 85 Ca -0.03 -0.12 0.01 0.00 1.21 0.00 0.00 56.30 57.36 1jvr h ASN 85 Cb 1.66 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 38.61 1jvr h ASN 85 CO 0.10 0.76 0.48 0.40 -1.29 0.00 0.00 177.43 177.88 1jvr h ILE 86 N 0.88 1.19 -0.47 2.81 2.04 -1.49 0.86 117.51 123.33 1jvr h ILE 86 Ca 0.20 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1jvr h ILE 86 Cb 0.21 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1jvr h ILE 86 CO -0.01 0.18 0.16 -0.07 0.00 0.00 0.00 178.15 178.41 1jvr h LEU 87 N 0.99 0.67 0.04 1.44 3.38 -1.38 0.36 115.31 120.81 1jvr h LEU 87 Ca 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jvr h LEU 87 Cb -0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1jvr h LEU 87 CO -0.06 0.69 -0.02 0.58 0.09 0.00 0.00 178.44 179.72 1jvr h VAL 88 N 0.62 1.28 -0.55 1.22 2.07 -0.78 -2.93 116.25 117.18 1jvr h VAL 88 Ca 0.15 -1.09 0.11 0.00 0.82 0.00 0.00 66.70 66.70 1jvr h VAL 88 Cb 0.24 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1jvr h VAL 88 CO -0.01 0.27 0.38 0.50 0.02 0.00 0.00 177.57 178.73 1jvr h LYS 89 N -0.54 0.25 0.00 1.57 3.64 0.80 0.82 116.57 123.12 1jvr h LYS 89 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jvr h LYS 89 Cb 0.49 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1jvr h LYS 89 CO 0.01 0.17 0.00 -0.97 -2.27 0.00 0.00 179.45 176.39 1jvr h ASN 90 N 0.26 0.00 0.08 4.20 -1.24 -0.09 0.32 115.58 119.12 1jvr h ASN 90 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1jvr h ASN 90 Cb 0.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.72 1jvr h ASN 90 CO -0.05 0.00 -0.18 0.00 -1.29 0.00 0.00 177.43 175.91 1jvr n GLN 91 N -2.66 1.35 -3.17 6.67 1.13 0.28 -4.95 117.38 116.04 1jvr n GLN 91 Ca -0.01 -0.91 -0.14 0.00 -1.94 0.00 0.00 57.00 54.00 1jvr n GLN 91 Cb 0.12 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.06 1jvr n GLN 91 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1jvr n VAL 92 N -0.04 -4.81 -2.62 5.09 0.31 0.11 -4.99 118.33 111.39 1jvr n VAL 92 Ca 0.14 -0.40 -0.32 0.00 -0.01 0.00 0.00 64.34 63.75 1jvr n VAL 92 Cb 0.40 -4.50 -0.05 0.00 -0.91 0.00 0.00 33.84 28.78 1jvr n VAL 92 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1jvr s SER 93 N -4.08 6.76 0.26 4.52 0.01 -1.25 -5.07 113.70 114.86 1jvr s SER 93 Ca 0.01 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1jvr s SER 93 Cb -0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1jvr s SER 93 CO 0.59 -0.47 0.00 -0.81 0.41 0.00 0.00 173.24 172.96 1jvr n PRO 94 N -1.13 0.61 0.00 12.44 -0.04 -1.26 -4.43 135.00 141.20 1jvr n PRO 94 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1jvr n PRO 94 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1jvr n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jvr n SER 95 N -0.78 0.00 -2.83 3.54 7.64 -1.26 -4.77 113.62 115.16 1jvr n SER 95 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1jvr n SER 95 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jvr n ALA 96 N 0.37 -3.18 -1.35 -0.43 0.00 -1.26 -5.00 120.51 109.65 1jvr n ALA 96 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 1jvr n ALA 96 Cb 0.00 -1.40 0.16 0.00 0.00 0.00 0.00 19.45 18.21 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 0.61 -1.70 -1.49 0.00 -0.04 -1.26 -4.92 135.00 126.21 1jvr n PRO 97 Ca 0.02 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1jvr n PRO 97 Cb 0.16 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -3.95 -1.94 -2.69 0.55 0.00 -1.26 -5.03 120.51 106.19 1jvr n ALA 98 Ca -0.15 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 1jvr n ALA 98 Cb 0.41 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.82 -3.01 -1.57 0.00 0.00 -1.26 -5.16 120.51 108.69 1jvr n ALA 99 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1jvr n ALA 99 Cb 0.00 -2.72 0.06 0.00 0.00 0.00 0.00 19.45 16.79 1jvr n ALA 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jvr s PRO 100 N 0.34 2.82 -0.06 0.00 0.04 -1.26 -5.00 135.00 131.89 1jvr s PRO 100 Ca 0.27 0.91 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 1jvr s PRO 100 Cb 0.20 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.57 1jvr s PRO 100 CO -0.12 -1.17 1.01 0.28 0.04 0.00 0.00 177.00 177.04 1jvr h VAL 101 N -0.77 1.24 -1.13 -0.36 2.07 -2.07 -3.39 116.25 111.84 1jvr h VAL 101 Ca -0.44 -1.35 -0.46 0.00 0.82 0.00 0.00 66.70 65.26 1jvr h VAL 101 Cb 1.22 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.99 1jvr h VAL 101 CO 0.57 0.32 1.14 -2.16 0.02 0.00 0.00 177.57 177.46 1jvr s PRO 102 N -3.54 3.06 -0.65 1.57 0.04 -1.26 -4.90 135.00 129.32 1jvr s PRO 102 Ca -0.15 -0.57 0.01 0.00 0.04 0.00 0.00 61.00 60.33 1jvr s PRO 102 Cb 0.00 -5.06 0.16 0.00 0.04 0.00 0.00 34.50 29.64 1jvr s PRO 102 CO 0.59 -2.71 0.45 0.95 0.04 0.00 0.00 177.00 176.32 1jvr s THR 103 N 7.41 3.28 0.43 1.26 -4.23 -1.26 -5.08 115.64 117.46 1jvr s THR 103 Ca 0.56 -3.52 -0.07 0.00 -1.18 0.00 0.00 61.69 57.48 1jvr s THR 103 Cb -0.04 -3.16 0.10 0.00 1.34 0.00 0.00 72.50 70.74 1jvr s THR 103 CO -0.02 -0.92 0.48 -0.81 -0.54 0.00 0.00 174.62 172.81 1jvr n PRO 104 N 2.84 -1.17 -1.27 3.99 -0.04 -1.26 -4.93 135.00 133.15 1jvr n PRO 104 Ca 0.12 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1jvr n PRO 104 Cb 0.35 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 1jvr n PRO 104 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1jvr n ILE 105 N -3.07 -4.33 -1.07 0.52 5.41 -1.26 -5.00 119.36 110.56 1jvr n ILE 105 Ca 0.06 1.85 0.04 0.00 1.00 0.00 0.00 62.75 65.70 1jvr n ILE 105 Cb 0.23 -2.64 -0.02 0.00 -0.71 0.00 0.00 39.64 36.50 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jvr h PRO 107 N -0.23 0.72 0.00 0.00 0.13 -1.96 -3.49 132.00 127.17 1jvr h PRO 107 Ca -0.04 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1jvr h PRO 107 Cb 0.77 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1jvr h PRO 107 CO 0.02 1.29 0.00 0.25 -0.23 0.00 0.00 178.00 179.33 1jvr n THR 108 N -3.88 0.00 -3.24 1.56 -2.24 -1.26 -4.89 114.28 100.33 1jvr n THR 108 Ca -0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1jvr n THR 108 Cb 0.83 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1jvr n THR 108 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jvr n THR 109 N -0.40 -9.05 -2.43 4.28 -1.04 -1.26 -5.00 114.28 99.38 1jvr n THR 109 Ca 0.00 -0.85 -0.28 0.00 -2.04 0.00 0.00 64.05 60.88 1jvr n THR 109 Cb 0.00 -6.35 0.00 0.00 -1.82 0.00 0.00 70.33 62.17 1jvr n THR 109 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1jvr s THR 110 N -3.23 4.74 -0.33 12.58 -4.23 -1.26 -5.01 115.64 118.90 1jvr s THR 110 Ca 0.27 0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.83 1jvr s THR 110 Cb -0.05 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1jvr s THR 110 CO 0.76 -0.88 1.36 -2.16 -0.54 0.00 0.00 174.62 173.16 1jvr s PRO 111 N -4.87 3.80 -0.32 3.99 0.04 -1.26 -4.97 135.00 131.40 1jvr s PRO 111 Ca 0.50 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1jvr s PRO 111 Cb -0.10 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1jvr s PRO 111 CO 0.47 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.35 1jvr s PRO 112 N 4.45 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.30 1jvr s PRO 112 Ca 0.59 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1jvr s PRO 112 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 112 CO 0.27 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.15 1jvr s PRO 113 N 4.44 3.80 0.96 0.56 0.04 -1.26 -5.01 135.00 138.53 1jvr s PRO 113 Ca 0.59 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 113 Cb -0.17 -3.94 0.17 0.00 0.04 0.00 0.00 34.50 30.61 1jvr s PRO 113 CO 0.26 -1.27 1.16 -1.25 0.04 0.00 0.00 177.00 175.95 1jvr s PRO 114 N 4.44 0.71 0.89 0.56 0.04 -1.26 -5.06 135.00 135.32 1jvr s PRO 114 Ca 0.59 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1jvr s PRO 114 Cb -0.16 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.70 1jvr s PRO 114 CO 0.26 -2.46 1.13 -1.25 0.04 0.00 0.00 177.00 174.72 1jvr s PRO 115 N -5.40 1.33 0.71 0.56 0.04 -1.26 -5.04 135.00 125.93 1jvr s PRO 115 Ca 0.66 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1jvr s PRO 115 Cb -0.12 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1jvr s PRO 115 CO 0.54 -2.08 1.07 -1.25 0.04 0.00 0.00 177.00 175.31 1jvr s PRO 116 N -5.26 2.81 0.93 0.56 0.04 -1.26 -5.06 135.00 127.77 1jvr s PRO 116 Ca 0.63 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1jvr s PRO 116 Cb -0.15 -1.98 0.22 0.00 0.04 0.00 0.00 34.50 32.64 1jvr s PRO 116 CO 0.53 -1.17 1.04 -0.35 0.04 0.00 0.00 177.00 177.09 1jvr n PRO 117 N -3.17 -1.93 -1.28 0.56 -0.04 -1.26 -4.96 135.00 122.91 1jvr n PRO 117 Ca 0.07 -1.62 -0.38 0.00 -0.04 0.00 0.00 63.50 61.53 1jvr n PRO 117 Cb 0.54 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1jvr n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr n SER 118 N -4.14 -2.95 -4.77 3.54 2.88 -1.26 -4.88 113.62 102.03 1jvr n SER 118 Ca 0.14 0.63 -0.38 0.00 -1.33 0.00 0.00 58.87 57.92 1jvr n SER 118 Cb 0.50 -0.96 -0.04 0.00 -0.75 0.00 0.00 64.21 62.95 1jvr n SER 118 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jvr s PRO 119 N -1.57 4.34 0.00 -1.46 0.04 -1.26 -4.68 135.00 130.41 1jvr s PRO 119 Ca 0.59 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1jvr s PRO 119 Cb -0.44 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1jvr s PRO 119 CO 0.64 -0.01 0.00 -1.91 0.04 0.00 0.00 177.00 175.76 1jvr n GLU 120 N 0.38 0.00 0.00 4.56 2.13 -1.26 -5.02 120.64 121.43 1jvr n GLU 120 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1jvr n GLU 120 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jvr n ALA 121 N 0.00 -0.01 0.00 4.31 0.00 -1.26 -4.80 120.51 118.75 1jvr n ALA 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jvr n ALA 121 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1jvr n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jvr n HIS 122 N -2.78 -1.72 -1.28 0.00 8.25 -1.26 -5.17 115.22 111.26 1jvr n HIS 122 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1jvr n HIS 122 Cb 0.00 0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.38 1jvr n HIS 122 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1jvr n VAL 123 N -2.19 -0.81 -2.37 1.59 0.24 -1.26 -4.60 118.33 108.93 1jvr n VAL 123 Ca 0.00 0.79 -0.43 0.00 -2.04 0.00 0.00 64.34 62.66 1jvr n VAL 123 Cb 0.00 -1.19 -0.02 0.00 -1.47 0.00 0.00 33.84 31.16 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1jvr s PRO 124 N -4.51 3.80 -0.33 7.34 0.04 -1.26 -4.97 135.00 135.11 1jvr s PRO 124 Ca 0.00 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 1jvr s PRO 124 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1jvr s PRO 124 CO 0.00 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 175.88 1jvr s PRO 125 N 4.45 3.80 0.00 0.56 0.04 -1.26 -5.01 135.00 137.58 1jvr s PRO 125 Ca 0.59 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1jvr s PRO 125 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 125 CO 0.27 -1.27 0.00 -0.35 0.04 0.00 0.00 177.00 175.68 1jvr n PRO 126 N 7.58 0.61 -1.21 0.56 -0.04 -1.26 -4.92 135.00 136.32 1jvr n PRO 126 Ca 0.16 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1jvr n PRO 126 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.87 1jvr n PRO 126 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1jvr n TYR 127 N -0.77 -2.80 -3.53 0.54 9.36 -1.26 -4.64 117.16 114.07 1jvr n TYR 127 Ca 0.00 1.49 -0.23 0.00 3.32 0.00 0.00 57.90 62.48 1jvr n TYR 127 Cb 0.00 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.13 1jvr n TYR 127 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1jvr n VAL 128 N -3.78 -0.19 -0.02 2.97 3.14 -1.26 -4.78 118.33 114.41 1jvr n VAL 128 Ca -0.04 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.25 1jvr n VAL 128 Cb 0.60 -0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 32.79 1jvr n VAL 128 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1jvr h GLU 129 N -0.55 -0.27 0.00 1.45 4.39 -1.91 -3.42 114.58 114.26 1jvr h GLU 129 Ca -0.34 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1jvr h GLU 129 Cb 1.22 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.95 1jvr h GLU 129 CO 0.48 -0.18 0.03 -0.35 -1.16 0.00 0.00 179.01 177.83 1jvr n PRO 130 N -5.37 -0.69 -3.56 2.33 -0.04 -1.26 -5.11 135.00 121.30 1jvr n PRO 130 Ca -0.02 -0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.08 1jvr n PRO 130 Cb 0.29 -0.16 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1jvr n PRO 130 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1jvr s THR 131 N -1.26 0.00 -0.46 0.52 -1.32 -1.26 -5.10 115.64 106.76 1jvr s THR 131 Ca 0.08 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.29 1jvr s THR 131 Cb -0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.91 1jvr s THR 131 CO 0.06 0.00 2.39 0.41 -2.21 0.00 0.00 174.62 175.27 1jvr n THR 132 N 1.41 0.00 -1.22 5.08 -1.04 -1.26 -4.88 114.28 112.37 1jvr n THR 132 Ca -0.17 -0.69 -0.38 0.00 -2.04 0.00 0.00 64.05 60.77 1jvr n THR 132 Cb 0.57 -2.64 0.02 0.00 -1.82 0.00 0.00 70.33 66.46 1jvr n THR 132 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jvr n THR 133 N 7.92 0.33 -2.66 12.58 -2.24 -1.26 -4.96 114.28 124.00 1jvr n THR 133 Ca 0.37 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1jvr n THR 133 Cb 0.50 -0.12 0.08 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.37 0.09 -2.62 -0.78 1.13 -1.26 -5.15 117.38 110.15 1jvr n GLN 134 Ca 0.07 -0.64 -0.34 0.00 -1.94 0.00 0.00 57.00 54.15 1jvr n GLN 134 Cb 0.49 -0.16 -0.04 0.00 0.11 0.00 0.00 30.24 30.63 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62