#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 -1.90 -1.51 -0.41 0.00 -1.26 -4.81 117.12 107.23 1jvr n MET 1 Ca 0.00 0.72 -0.54 0.00 -0.00 0.00 0.00 57.70 57.88 1jvr n MET 1 Cb 0.00 -5.21 -0.06 0.00 0.00 0.00 0.00 33.22 27.95 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 -1.40 -0.41 3.57 -5.12 0.00 -1.26 -4.75 105.19 95.83 1jvr n GLY 2 Ca -0.08 0.63 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 1jvr n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jvr s GLN 3 N -0.20 3.08 0.00 1.61 1.11 -1.26 -3.36 119.66 120.63 1jvr s GLN 3 Ca 0.82 -1.06 0.00 0.00 0.01 0.00 0.00 55.36 55.13 1jvr s GLN 3 Cb -1.09 -5.28 0.00 0.00 -1.01 0.00 0.00 33.01 25.63 1jvr s GLN 3 CO 0.55 -3.03 0.00 1.51 0.01 0.00 0.00 175.29 174.33 1jvr n ILE 4 N 7.33 0.00 -0.09 1.08 0.00 -1.26 -4.99 119.36 121.43 1jvr n ILE 4 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 62.75 63.06 1jvr n ILE 4 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 39.64 40.04 1jvr n ILE 4 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1jvr h HIS 5 N 0.00 -1.24 0.00 9.51 2.76 -1.92 -3.42 115.15 120.84 1jvr h HIS 5 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1jvr h HIS 5 Cb 0.00 0.57 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1jvr h HIS 5 CO 0.00 -0.36 0.00 0.41 -1.30 0.00 0.00 177.93 176.68 1jvr n GLY 6 N -1.28 0.34 3.78 5.26 0.00 -1.26 -4.67 105.19 107.36 1jvr n GLY 6 Ca -0.03 0.65 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 1jvr n GLY 6 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jvr s LEU 7 N 0.00 -0.09 -0.54 0.99 -0.00 -1.26 -5.11 118.68 112.67 1jvr s LEU 7 Ca 0.00 -0.43 -0.02 0.00 -0.00 0.00 0.00 54.13 53.68 1jvr s LEU 7 Cb 0.00 1.95 0.14 0.00 -0.00 0.00 0.00 46.19 48.28 1jvr s LEU 7 CO 0.00 -0.79 0.34 -0.94 -0.00 0.00 0.00 176.35 174.96 1jvr s SER 8 N -3.13 5.15 0.19 1.48 1.04 -1.26 -5.08 113.70 112.09 1jvr s SER 8 Ca 0.16 -2.58 -0.30 0.00 0.48 0.00 0.00 55.95 53.72 1jvr s SER 8 Cb -0.00 -1.82 -0.08 0.00 0.10 0.00 0.00 66.02 64.21 1jvr s SER 8 CO 0.02 -0.42 1.11 -2.16 0.98 0.00 0.00 173.24 172.78 1jvr s PRO 9 N 0.34 4.59 0.21 4.02 0.04 -1.26 -4.94 135.00 137.99 1jvr s PRO 9 Ca 0.14 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 1jvr s PRO 9 Cb -0.21 -3.26 0.22 0.00 0.04 0.00 0.00 34.50 31.28 1jvr s PRO 9 CO -0.04 0.07 1.61 1.15 0.04 0.00 0.00 177.00 179.83 1jvr h THR 10 N 3.64 0.28 -0.81 1.26 2.02 -1.97 -3.22 112.91 114.10 1jvr h THR 10 Ca -0.45 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.26 1jvr h THR 10 Cb 1.21 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 1jvr h THR 10 CO 0.72 0.00 1.36 -2.16 0.37 0.00 0.00 175.52 175.81 1jvr s PRO 11 N -6.16 3.16 -0.09 6.66 0.04 -1.26 -4.74 135.00 132.61 1jvr s PRO 11 Ca -0.14 -1.10 -0.07 0.00 0.04 0.00 0.00 61.00 59.72 1jvr s PRO 11 Cb 0.19 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 29.46 1jvr s PRO 11 CO 0.73 -2.92 0.23 -1.50 0.04 0.00 0.00 177.00 173.58 1jvr s ILE 12 N 7.50 -0.01 -1.00 0.56 -1.16 -1.22 -5.04 121.20 120.82 1jvr s ILE 12 Ca 0.59 0.04 -0.07 0.00 -0.51 0.00 0.00 60.65 60.70 1jvr s ILE 12 Cb -0.01 -0.34 -0.09 0.00 0.61 0.00 0.00 42.46 42.63 1jvr s ILE 12 CO 0.01 0.02 2.54 -0.81 -2.81 0.00 0.00 174.94 173.89 1jvr n PRO 13 N 3.27 2.55 -2.69 3.50 -0.04 -1.26 -3.65 135.00 136.68 1jvr n PRO 13 Ca -0.16 -1.59 -0.03 0.00 -0.04 0.00 0.00 63.50 61.68 1jvr n PRO 13 Cb 0.57 -2.47 0.12 0.00 -0.04 0.00 0.00 33.50 31.68 1jvr n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jvr n LYS 14 N 3.70 1.36 -1.56 0.54 4.01 -1.26 -4.86 118.16 120.09 1jvr n LYS 14 Ca 0.54 -1.59 0.07 0.00 -0.51 0.00 0.00 58.31 56.82 1jvr n LYS 14 Cb 0.26 0.11 -0.04 0.00 -0.51 0.00 0.00 35.03 34.85 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jvr n ALA 15 N -1.23 -2.75 -0.84 7.82 0.00 -1.24 -4.14 120.51 118.13 1jvr n ALA 15 Ca -0.12 0.69 -0.17 0.00 0.00 0.00 0.00 53.44 53.84 1jvr n ALA 15 Cb 0.87 -1.55 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 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 -3.34 1.98 -0.54 0.00 -0.04 -1.26 -4.86 135.00 126.94 1jvr n PRO 16 Ca -0.04 -1.13 0.07 0.00 -0.04 0.00 0.00 63.50 62.36 1jvr n PRO 16 Cb 0.58 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.11 -1.08 -1.68 0.54 5.12 -1.26 -4.98 116.66 116.42 1jvr n ARG 17 Ca 0.42 0.71 0.00 0.00 -1.93 0.00 0.00 57.85 57.06 1jvr n ARG 17 Cb 0.50 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jvr n GLY 18 N -1.81 -4.72 3.57 -0.13 0.00 -1.26 -4.56 105.19 96.28 1jvr n GLY 18 Ca 0.00 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.58 3.80 0.63 0.99 1.43 -1.26 -4.96 118.68 115.72 1jvr s LEU 19 Ca 0.00 -2.26 -0.16 0.00 -1.03 0.00 0.00 54.13 50.68 1jvr s LEU 19 Cb 0.00 -2.57 -0.14 0.00 0.03 0.00 0.00 46.19 43.51 1jvr s LEU 19 CO 0.00 -1.23 -0.35 -1.54 0.23 0.00 0.00 176.35 173.46 1jvr n SER 20 N 8.45 -4.16 -2.93 2.29 3.41 -1.26 -4.48 113.62 114.94 1jvr n SER 20 Ca 0.46 0.44 -0.21 0.00 -0.26 0.00 0.00 58.87 59.29 1jvr n SER 20 Cb 0.47 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 1jvr n SER 20 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jvr n THR 21 N -1.71 2.68 0.00 6.66 -2.24 -1.26 -3.22 114.28 115.19 1jvr n THR 21 Ca 0.04 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 1jvr n THR 21 Cb 0.46 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 1jvr n THR 21 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jvr n HIS 22 N 3.67 0.00 -0.11 4.78 -0.00 -1.26 -4.60 115.22 117.69 1jvr n HIS 22 Ca 0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 58.04 1jvr n HIS 22 Cb 0.28 0.17 -0.13 0.00 -0.00 0.00 0.00 29.99 30.31 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 -2.34 0.00 -0.01 1.57 -0.00 -1.20 -4.16 115.22 109.09 1jvr n HIS 23 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 1jvr n HIS 23 Cb 0.19 -0.96 -0.11 0.00 -0.00 0.00 0.00 29.99 29.11 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 0.40 0.00 -1.40 2.91 -1.78 -2.95 115.95 113.13 1jvr h TRP 24 Ca -0.54 -0.22 0.00 0.00 1.13 0.00 0.00 58.89 59.26 1jvr h TRP 24 Cb 1.98 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 30.59 1jvr h TRP 24 CO 0.02 1.02 0.34 1.25 -1.03 0.00 0.00 178.44 180.04 1jvr h LEU 25 N -0.33 0.00 -0.30 0.65 5.85 -1.79 1.45 115.31 120.84 1jvr h LEU 25 Ca -0.05 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 1jvr h LEU 25 Cb 1.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1jvr h LEU 25 CO 0.08 0.00 -0.86 -1.13 -0.34 0.00 0.00 178.44 176.19 1jvr h ASN 26 N 0.00 0.06 0.09 1.25 -1.24 -1.68 -3.14 115.58 110.93 1jvr h ASN 26 Ca 0.00 -0.05 -0.24 0.00 0.71 0.00 0.00 56.30 56.71 1jvr h ASN 26 Cb 0.68 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1jvr h ASN 26 CO 0.00 0.89 -1.25 0.15 -1.29 0.00 0.00 177.43 175.93 1jvr h PHE 27 N 0.02 0.36 0.00 0.67 3.57 0.18 -3.20 116.94 118.55 1jvr h PHE 27 Ca -0.02 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1jvr h PHE 27 Cb 1.50 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1jvr h PHE 27 CO 0.01 1.49 0.28 1.25 -2.23 0.00 0.00 178.31 179.10 1jvr h LEU 28 N -0.45 0.00 0.00 0.59 5.85 -0.98 0.64 115.31 120.97 1jvr h LEU 28 Ca -0.28 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1jvr h LEU 28 Cb 1.64 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 1jvr h LEU 28 CO 0.03 0.00 -0.18 1.56 -0.34 0.00 0.00 178.44 179.51 1jvr h GLN 29 N 0.00 0.00 -0.84 1.25 4.20 -1.61 -3.12 115.11 114.99 1jvr h GLN 29 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1jvr h GLN 29 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1jvr h GLN 29 CO 0.00 0.02 0.54 0.00 -0.67 0.00 0.00 178.83 178.71 1jvr h ALA 30 N -0.99 1.12 0.00 3.87 0.00 -1.27 0.31 119.26 122.31 1jvr h ALA 30 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jvr h ALA 30 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1jvr h ALA 30 CO -0.00 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1jvr h ALA 31 N 1.36 1.07 0.00 0.00 0.00 0.08 0.00 119.26 121.77 1jvr h ALA 31 Ca 0.34 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.00 1jvr h ALA 31 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1jvr h ALA 31 CO -0.13 0.01 -1.51 -0.92 0.00 0.00 0.00 179.25 176.70 1jvr h TYR 32 N 0.00 0.00 0.00 0.00 3.20 -0.39 -3.32 116.97 116.46 1jvr h TYR 32 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1jvr h TYR 32 Cb 0.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1jvr h TYR 32 CO 0.00 0.88 -0.19 -0.09 -1.64 0.00 0.00 178.16 177.12 1jvr h ARG 33 N 0.00 0.00 0.00 1.82 1.12 0.75 -3.44 114.38 114.63 1jvr h ARG 33 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 1jvr h ARG 33 Cb 1.86 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.82 1jvr h ARG 33 CO 0.08 0.19 0.00 1.28 -3.11 0.00 0.00 179.97 178.40 1jvr n LEU 34 N -3.32 0.00 -3.97 3.80 4.77 -0.83 -5.02 117.00 112.42 1jvr n LEU 34 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 1jvr n LEU 34 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1jvr n LEU 34 CO 0.33 0.00 0.09 -1.10 -1.33 0.00 0.00 177.39 175.38 1jvr s GLN 35 N 0.55 2.73 -0.72 3.23 -0.21 -1.26 -4.96 119.66 119.02 1jvr s GLN 35 Ca 0.00 -3.33 -0.06 0.00 0.02 0.00 0.00 55.36 51.99 1jvr s GLN 35 Cb 0.00 -3.60 -0.12 0.00 1.00 0.00 0.00 33.01 30.29 1jvr s GLN 35 CO 0.00 -1.28 2.62 -0.35 -2.12 0.00 0.00 175.29 174.16 1jvr n PRO 36 N 2.09 2.25 0.00 2.91 -0.04 -1.26 -4.92 135.00 136.04 1jvr n PRO 36 Ca 0.20 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1jvr n PRO 36 Cb 0.36 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.25 0.94 0.06 0.55 0.00 -1.26 -3.22 105.19 105.52 1jvr n GLY 37 Ca 0.48 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1jvr n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jvr h PRO 38 N 0.00 -0.12 0.00 1.61 0.13 -1.99 -3.43 132.00 128.20 1jvr h PRO 38 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1jvr h PRO 38 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1jvr h PRO 38 CO 0.00 -0.08 0.00 -1.13 -0.23 0.00 0.00 178.00 176.56 1jvr n SER 39 N -3.13 0.68 0.00 1.44 3.41 -1.26 -5.03 113.62 109.73 1jvr n SER 39 Ca -0.02 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1jvr n SER 39 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1jvr n SER 39 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jvr n ASP 40 N -0.15 0.00 -0.04 4.04 3.85 -1.21 -5.10 116.55 117.95 1jvr n ASP 40 Ca 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.06 1jvr n ASP 40 Cb 0.36 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.12 1jvr n ASP 40 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1jvr h PHE 41 N 0.00 0.00 0.00 2.11 3.57 -1.89 -3.45 116.94 117.28 1jvr h PHE 41 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1jvr h PHE 41 Cb 0.00 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.61 1jvr h PHE 41 CO 0.00 0.00 -0.24 -0.25 -2.23 0.00 0.00 178.31 175.59 1jvr n ASP 42 N -3.54 -1.96 0.00 0.41 8.00 -1.26 -4.97 116.55 113.22 1jvr n ASP 42 Ca -0.04 -2.80 0.05 0.00 0.71 0.00 0.00 54.79 52.71 1jvr n ASP 42 Cb 0.14 1.51 0.22 0.00 -0.02 0.00 0.00 41.12 42.97 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jvr n PHE 43 N 0.80 0.00 0.22 1.24 3.72 -1.26 -2.83 117.46 119.35 1jvr n PHE 43 Ca 0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1jvr n PHE 43 Cb 0.71 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 1jvr n PHE 43 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1jvr h GLN 44 N 0.00 -0.56 0.00 -1.08 7.50 -1.99 0.87 115.11 119.84 1jvr h GLN 44 Ca 0.00 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.19 1jvr h GLN 44 Cb 0.14 0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.80 1jvr h GLN 44 CO 0.00 -0.26 0.00 0.00 -1.50 0.00 0.00 178.83 177.07 1jvr n GLN 45 N -5.21 0.05 0.01 1.46 10.64 -1.13 -1.52 117.38 121.69 1jvr n GLN 45 Ca -0.10 0.44 -0.22 0.00 -1.83 0.00 0.00 57.00 55.29 1jvr n GLN 45 Cb 0.29 -1.63 -0.14 0.00 -0.86 0.00 0.00 30.24 27.91 1jvr n GLN 45 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1jvr h LEU 46 N 0.00 0.43 -0.77 2.61 6.46 -1.52 -3.20 115.31 119.32 1jvr h LEU 46 Ca 0.00 -0.91 -0.08 0.00 -0.12 0.00 0.00 57.88 56.77 1jvr h LEU 46 Cb 0.12 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1jvr h LEU 46 CO 0.00 1.80 0.07 -0.09 -0.62 0.00 0.00 178.44 179.59 1jvr h ARG 47 N -0.04 1.00 -0.36 1.25 9.65 0.26 -2.42 114.38 123.73 1jvr h ARG 47 Ca -0.39 -0.27 -0.06 0.00 -1.10 0.00 0.00 59.98 58.15 1jvr h ARG 47 Cb 1.97 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.41 1jvr h ARG 47 CO 0.08 0.94 -0.05 0.07 2.80 0.00 0.00 179.97 183.82 1jvr h ARG 48 N 0.94 0.59 -0.48 0.20 0.11 -1.48 -0.08 114.38 114.17 1jvr h ARG 48 Ca 0.18 -0.15 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 1jvr h ARG 48 Cb 0.45 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 1jvr h ARG 48 CO 0.02 0.65 0.20 0.35 0.10 0.00 0.00 179.97 181.28 1jvr h PHE 49 N 0.55 0.72 -0.02 4.08 3.04 -1.44 0.20 116.94 124.08 1jvr h PHE 49 Ca 0.11 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1jvr h PHE 49 Cb 0.42 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 1jvr h PHE 49 CO 0.02 0.60 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.83 1jvr h LEU 50 N 0.63 0.05 -2.18 0.59 3.38 -1.16 -2.44 115.31 114.18 1jvr h LEU 50 Ca 0.16 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1jvr h LEU 50 Cb 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1jvr h LEU 50 CO -0.01 0.47 0.12 0.11 0.09 0.00 0.00 178.44 179.21 1jvr h LYS 51 N -0.37 0.00 0.20 1.13 1.57 -0.91 -0.53 116.57 117.66 1jvr h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jvr h LYS 51 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1jvr h LYS 51 CO 0.00 0.00 -0.10 1.25 -0.57 0.00 0.00 179.45 180.04 1jvr h LEU 52 N 0.00 -0.23 -1.85 2.94 6.46 -0.26 -2.77 115.31 119.60 1jvr h LEU 52 Ca 0.06 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1jvr h LEU 52 Cb 0.30 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1jvr h LEU 52 CO -0.00 0.11 0.10 0.00 -0.62 0.00 0.00 178.44 178.03 1jvr h ALA 53 N 0.13 1.89 -0.67 1.25 0.00 -0.81 0.30 119.26 121.36 1jvr h ALA 53 Ca -0.03 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1jvr h ALA 53 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1jvr h ALA 53 CO 0.05 0.10 0.50 1.25 0.00 0.00 0.00 179.25 181.14 1jvr h LEU 54 N 0.20 0.00 -0.03 0.00 5.85 -0.84 1.64 115.31 122.13 1jvr h LEU 54 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jvr h LEU 54 Cb -0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jvr h LEU 54 CO -0.01 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.38 1jvr n LYS 55 N -4.26 0.01 -3.79 1.25 2.85 0.10 -3.78 118.16 110.54 1jvr n LYS 55 Ca 0.13 0.33 -0.29 0.00 -1.05 0.00 0.00 58.31 57.43 1jvr n LYS 55 Cb 0.75 -1.51 -0.13 0.00 -0.65 0.00 0.00 35.03 33.50 1jvr n LYS 55 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jvr s THR 56 N -3.01 2.03 -0.47 0.58 2.01 0.56 -4.99 115.64 112.35 1jvr s THR 56 Ca 0.05 -3.29 -0.06 0.00 0.31 0.00 0.00 61.69 58.70 1jvr s THR 56 Cb 0.07 -2.38 -0.15 0.00 0.01 0.00 0.00 72.50 70.05 1jvr s THR 56 CO 0.19 -0.95 2.71 -0.81 -0.69 0.00 0.00 174.62 175.08 1jvr n PRO 57 N 2.87 1.99 -0.00 4.92 -0.04 -1.25 -3.46 135.00 140.03 1jvr n PRO 57 Ca 0.14 -1.14 0.02 0.00 -0.04 0.00 0.00 63.50 62.47 1jvr n PRO 57 Cb 0.36 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.12 0.02 0.02 0.52 0.13 -1.26 -4.34 119.36 117.57 1jvr n ILE 58 Ca 0.43 -0.11 0.10 0.00 -1.10 0.00 0.00 62.75 62.06 1jvr n ILE 58 Cb 0.49 0.30 -0.12 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 -1.70 0.30 0.00 9.51 4.27 -1.22 -3.99 117.44 124.61 1jvr n TRP 59 Ca -0.01 0.09 -0.12 0.00 -3.89 0.00 0.00 57.50 53.56 1jvr n TRP 59 Cb 0.16 -0.67 -0.10 0.00 -1.36 0.00 0.00 31.31 29.34 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 -0.06 -0.11 5.67 4.07 -1.80 0.34 115.31 123.42 1jvr h LEU 60 Ca -0.03 -0.52 0.03 0.00 0.08 0.00 0.00 57.88 57.44 1jvr h LEU 60 Cb 1.08 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 1jvr h LEU 60 CO 0.00 0.52 -0.52 0.78 -1.08 0.00 0.00 178.44 178.14 1jvr h ASN 61 N -0.69 -1.65 0.40 -0.43 4.21 -1.76 0.33 115.58 115.99 1jvr h ASN 61 Ca -0.01 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1jvr h ASN 61 Cb 0.58 0.64 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1jvr h ASN 61 CO 0.01 -0.49 0.00 -0.81 -1.29 0.00 0.00 177.43 174.86 1jvr n PRO 62 N -5.44 0.35 -2.89 0.81 -0.04 -1.25 -4.95 135.00 121.59 1jvr n PRO 62 Ca -0.06 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1jvr n PRO 62 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.27 -1.91 -3.36 0.52 0.13 0.12 -4.98 119.36 108.60 1jvr n ILE 63 Ca 0.11 0.40 0.02 0.00 -1.10 0.00 0.00 62.75 62.18 1jvr n ILE 63 Cb 0.17 -2.67 -0.03 0.00 -0.84 0.00 0.00 39.64 36.28 1jvr n ILE 63 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1jvr s ASP 64 N -0.91 -1.08 0.00 9.51 -0.00 -0.79 -5.00 116.67 118.39 1jvr s ASP 64 Ca 0.04 1.04 0.14 0.00 -0.00 0.00 0.00 52.55 53.77 1jvr s ASP 64 Cb -0.00 2.05 0.74 0.00 -0.00 0.00 0.00 42.92 45.71 1jvr s ASP 64 CO 0.08 -0.20 1.35 0.00 -0.00 0.00 0.00 175.17 176.40 1jvr n TYR 65 N 5.37 0.00 0.39 4.23 9.36 -1.26 -2.02 117.16 133.24 1jvr n TYR 65 Ca -0.07 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.29 1jvr n TYR 65 Cb 0.51 -0.23 0.51 0.00 -0.63 0.00 0.00 39.34 39.50 1jvr n TYR 65 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1jvr h SER 66 N 0.00 0.00 0.72 2.98 0.02 -1.97 -2.09 113.55 113.21 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvr h SER 66 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jvr h SER 66 CO 0.00 0.00 -1.05 -0.11 -1.14 0.00 0.00 176.83 174.53 1jvr n LEU 67 N -2.52 0.67 0.47 5.07 0.00 -0.85 -4.16 117.00 115.67 1jvr n LEU 67 Ca 0.02 0.18 -0.19 0.00 0.00 0.00 0.00 56.01 56.03 1jvr n LEU 67 Cb 0.30 -0.08 -0.09 0.00 0.00 0.00 0.00 43.42 43.55 1jvr n LEU 67 CO 0.24 -0.08 0.48 -0.07 0.00 0.00 0.00 177.39 177.96 1jvr h LEU 68 N 0.00 -1.02 -1.65 -1.96 3.38 -1.52 -1.63 115.31 110.91 1jvr h LEU 68 Ca 0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1jvr h LEU 68 Cb 0.88 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1jvr h LEU 68 CO 0.00 -0.67 0.53 0.00 0.09 0.00 0.00 178.44 178.39 1jvr h ALA 69 N -1.31 1.80 -0.05 1.53 0.00 -1.73 0.57 119.26 120.06 1jvr h ALA 69 Ca -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1jvr h ALA 69 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jvr h ALA 69 CO 0.20 -0.64 -0.32 1.03 0.00 0.00 0.00 179.25 179.52 1jvr h SER 70 N 0.00 0.37 -0.86 0.00 0.87 -1.49 -3.20 113.55 109.24 1jvr h SER 70 Ca 0.10 -0.67 0.09 0.00 -1.23 0.00 0.00 61.79 60.08 1jvr h SER 70 Cb 1.16 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.94 1jvr h SER 70 CO -0.00 0.98 0.51 -0.07 -0.53 0.00 0.00 176.83 177.72 1jvr h LEU 71 N -0.21 0.74 -7.53 2.23 4.07 0.99 -3.41 115.31 112.19 1jvr h LEU 71 Ca -0.02 0.04 -0.46 0.00 0.08 0.00 0.00 57.88 57.52 1jvr h LEU 71 Cb 0.99 -0.10 -0.09 0.00 1.08 0.00 0.00 40.66 42.54 1jvr h LEU 71 CO 0.07 0.43 1.68 -0.38 -1.08 0.00 0.00 178.44 179.15 1jvr n ILE 72 N -4.70 0.00 -2.31 1.22 5.41 -0.93 -4.73 119.36 113.32 1jvr n ILE 72 Ca 0.14 -0.04 -0.35 0.00 1.00 0.00 0.00 62.75 63.51 1jvr n ILE 72 Cb 0.28 -0.43 -0.04 0.00 -0.71 0.00 0.00 39.64 38.73 1jvr n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1jvr s PRO 73 N 8.32 3.05 0.37 0.38 0.04 -1.26 -4.73 135.00 141.18 1jvr s PRO 73 Ca 1.28 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1jvr s PRO 73 Cb -1.16 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 28.35 1jvr s PRO 73 CO 0.47 -2.71 0.00 1.63 0.04 0.00 0.00 177.00 176.42 1jvr n LYS 74 N 8.95 -2.64 -1.19 4.56 4.76 -1.26 -4.71 118.16 126.63 1jvr n LYS 74 Ca 0.32 2.04 -0.48 0.00 -2.87 0.00 0.00 58.31 57.31 1jvr n LYS 74 Cb 0.49 -2.53 -0.08 0.00 -1.84 0.00 0.00 35.03 31.07 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 -2.12 0.08 3.94 0.72 0.00 -1.26 -4.90 105.19 101.65 1jvr n GLY 75 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 46.02 46.54 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jvr s TYR 76 N 2.74 3.47 0.00 1.61 5.04 -1.26 -5.11 117.35 123.83 1jvr s TYR 76 Ca 0.80 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1jvr s TYR 76 Cb -1.10 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 39.27 1jvr s TYR 76 CO 0.57 0.07 0.00 -0.35 -1.34 0.00 0.00 175.55 174.51 1jvr n PRO 77 N -1.81 0.08 -0.44 4.97 -0.04 -1.26 -4.87 135.00 131.64 1jvr n PRO 77 Ca -0.04 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1jvr n PRO 77 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 1jvr n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 78 N 3.75 -0.81 1.46 0.55 0.00 -1.26 -4.15 105.19 104.73 1jvr n GLY 78 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1jvr n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jvr n ARG 79 N -1.93 4.03 -0.07 1.61 5.12 -1.26 -4.52 116.66 119.65 1jvr n ARG 79 Ca 0.00 -3.01 -0.10 0.00 -1.93 0.00 0.00 57.85 52.82 1jvr n ARG 79 Cb 0.20 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.41 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1jvr h VAL 80 N 3.11 1.09 -0.55 1.55 2.07 -1.94 -2.15 116.25 119.43 1jvr h VAL 80 Ca 0.00 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1jvr h VAL 80 Cb 1.72 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1jvr h VAL 80 CO 0.37 0.09 0.02 0.58 0.02 0.00 0.00 177.57 178.64 1jvr h VAL 81 N 0.33 1.25 0.00 2.57 2.07 -1.80 -1.44 116.25 119.25 1jvr h VAL 81 Ca 0.09 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1jvr h VAL 81 Cb 0.00 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1jvr h VAL 81 CO -0.02 0.38 0.10 -0.08 0.02 0.00 0.00 177.57 177.97 1jvr h GLU 82 N 0.86 0.00 0.00 1.57 4.81 -1.69 1.11 114.58 121.24 1jvr h GLU 82 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1jvr h GLU 82 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1jvr h GLU 82 CO 0.02 0.00 -1.08 -0.89 -0.73 0.00 0.00 179.01 176.33 1jvr n ILE 83 N -2.45 0.41 -0.12 2.32 5.41 -0.55 -3.86 119.36 120.52 1jvr n ILE 83 Ca -0.02 -0.43 -0.26 0.00 1.00 0.00 0.00 62.75 63.04 1jvr n ILE 83 Cb 0.14 -0.14 -0.11 0.00 -0.71 0.00 0.00 39.64 38.81 1jvr n ILE 83 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1jvr n ILE 84 N -2.38 1.54 0.06 1.39 5.41 0.32 -3.92 119.36 121.78 1jvr n ILE 84 Ca 0.00 -0.23 0.21 0.00 1.00 0.00 0.00 62.75 63.73 1jvr n ILE 84 Cb 0.51 -1.94 0.63 0.00 -0.71 0.00 0.00 39.64 38.13 1jvr n ILE 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1jvr h ASN 85 N -0.94 0.00 -0.04 4.38 -1.07 0.03 1.37 115.58 119.32 1jvr h ASN 85 Ca -0.53 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 55.60 1jvr h ASN 85 Cb 1.49 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.76 1jvr h ASN 85 CO -0.30 0.00 -0.92 0.40 0.07 0.00 0.00 177.43 176.68 1jvr h ILE 86 N 0.00 1.30 -0.73 6.14 2.04 -1.71 -0.27 117.51 124.28 1jvr h ILE 86 Ca 0.23 -2.15 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 1jvr h ILE 86 Cb 1.57 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 39.93 1jvr h ILE 86 CO -0.00 0.66 0.28 -0.07 0.00 0.00 0.00 178.15 179.02 1jvr h LEU 87 N 0.36 1.02 -0.06 1.44 3.38 0.16 1.48 115.31 123.08 1jvr h LEU 87 Ca -0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1jvr h LEU 87 Cb 1.57 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jvr h LEU 87 CO 0.18 0.92 -0.04 0.58 0.09 0.00 0.00 178.44 180.18 1jvr h VAL 88 N 1.05 1.34 0.00 1.22 2.07 -1.18 -2.49 116.25 118.26 1jvr h VAL 88 Ca 0.24 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1jvr h VAL 88 Cb 0.23 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1jvr h VAL 88 CO -0.02 0.30 0.00 1.17 0.02 0.00 0.00 177.57 179.04 1jvr n LYS 89 N -4.77 0.60 0.20 1.57 0.00 -0.11 -3.29 118.16 112.35 1jvr n LYS 89 Ca -0.07 0.02 0.18 0.00 0.00 0.00 0.00 58.31 58.44 1jvr n LYS 89 Cb 0.26 -1.50 0.79 0.00 0.00 0.00 0.00 35.03 34.59 1jvr n LYS 89 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1jvr h ASN 90 N 0.00 0.00 0.00 3.14 -1.07 0.26 -3.33 115.58 114.57 1jvr h ASN 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1jvr h ASN 90 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 1jvr h ASN 90 CO 0.00 0.00 0.00 1.67 0.07 0.00 0.00 177.43 179.17 1jvr n GLN 91 N -3.40 0.00 0.15 4.14 7.27 -1.21 -5.04 117.38 119.28 1jvr n GLN 91 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1jvr n GLN 91 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 1jvr n GLN 91 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1jvr n VAL 92 N 0.00 0.00 -3.11 1.69 0.31 -1.21 -5.09 118.33 110.92 1jvr n VAL 92 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1jvr n VAL 92 Cb 0.00 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1jvr n SER 93 N -3.36 -6.81 -4.60 4.52 7.64 -1.26 -4.94 113.62 104.80 1jvr n SER 93 Ca 0.00 0.57 -0.29 0.00 1.01 0.00 0.00 58.87 60.16 1jvr n SER 93 Cb 0.00 -2.48 0.15 0.00 -1.01 0.00 0.00 64.21 60.88 1jvr n SER 93 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jvr s PRO 94 N -1.31 0.82 0.00 1.43 0.04 -1.26 -5.01 135.00 129.70 1jvr s PRO 94 Ca 0.04 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1jvr s PRO 94 Cb -0.01 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1jvr s PRO 94 CO 0.27 -2.39 0.00 -1.13 0.04 0.00 0.00 177.00 173.79 1jvr n SER 95 N -3.88 0.00 -0.32 6.66 3.41 -1.26 -4.65 113.62 113.57 1jvr n SER 95 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.66 1jvr n SER 95 Cb 0.59 0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvr h ALA 96 N 0.00 0.03 -0.04 7.33 0.00 -2.03 0.16 119.26 124.71 1jvr h ALA 96 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1jvr h ALA 96 Cb 0.00 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jvr h ALA 96 CO 0.00 -0.67 -0.88 -1.00 0.00 0.00 0.00 179.25 176.69 1jvr h PRO 97 N -0.06 0.51 -6.26 0.00 0.13 -2.02 -3.48 132.00 120.82 1jvr h PRO 97 Ca 0.29 -0.49 -0.43 0.00 -0.87 0.00 0.00 66.00 64.50 1jvr h PRO 97 Cb 0.57 0.13 0.07 0.00 0.13 0.00 0.00 31.00 31.90 1jvr h PRO 97 CO -0.88 1.13 -0.92 0.00 -0.23 0.00 0.00 178.00 177.10 1jvr n ALA 98 N -2.56 -2.57 -1.42 -0.56 0.00 0.55 -4.93 120.51 109.01 1jvr n ALA 98 Ca -0.07 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1jvr n ALA 98 Cb 0.80 -3.79 0.10 0.00 0.00 0.00 0.00 19.45 16.55 1jvr n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvr s ALA 99 N -3.42 2.12 -1.10 0.00 0.00 -1.26 -4.88 121.76 113.21 1jvr s ALA 99 Ca 0.44 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 1jvr s ALA 99 Cb -0.16 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1jvr s ALA 99 CO 0.87 -1.83 2.08 -0.35 0.00 0.00 0.00 175.76 176.53 1jvr n PRO 100 N -3.52 2.16 0.03 0.00 -0.04 -1.26 -4.56 135.00 127.81 1jvr n PRO 100 Ca 0.07 -2.19 -0.19 0.00 -0.04 0.00 0.00 63.50 61.15 1jvr n PRO 100 Cb 0.55 -3.08 -0.12 0.00 -0.04 0.00 0.00 33.50 30.82 1jvr n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jvr h VAL 101 N 4.22 1.39 0.00 0.52 2.07 -2.01 -3.40 116.25 119.04 1jvr h VAL 101 Ca 0.50 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1jvr h VAL 101 Cb 0.64 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1jvr h VAL 101 CO 1.92 0.66 0.00 -0.81 0.02 0.00 0.00 177.57 179.36 1jvr n PRO 102 N -4.08 0.00 -1.27 1.57 -0.04 -1.26 -4.70 135.00 125.22 1jvr n PRO 102 Ca -0.11 0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 1jvr n PRO 102 Cb 0.77 -0.79 -0.14 0.00 -0.04 0.00 0.00 33.50 33.30 1jvr n PRO 102 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 103 N -0.99 0.00 0.00 0.52 5.66 -1.26 -4.79 114.28 113.42 1jvr n THR 103 Ca 0.00 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1jvr n THR 103 Cb 0.00 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1jvr n THR 103 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1jvr n PRO 104 N 6.59 0.00 -1.22 1.09 -0.04 -1.26 -4.68 135.00 135.48 1jvr n PRO 104 Ca 0.56 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 64.17 1jvr n PRO 104 Cb 0.05 -0.76 0.11 0.00 -0.04 0.00 0.00 33.50 32.86 1jvr n PRO 104 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1jvr n ILE 105 N -0.90 1.44 -1.37 0.52 -0.00 -1.26 -5.09 119.36 112.69 1jvr n ILE 105 Ca 0.00 -2.58 -0.38 0.00 -0.00 0.00 0.00 62.75 59.79 1jvr n ILE 105 Cb 0.00 0.19 0.03 0.00 -0.00 0.00 0.00 39.64 39.86 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jvr s PRO 107 N -1.77 4.44 0.00 0.00 0.04 -1.26 -4.88 135.00 131.58 1jvr s PRO 107 Ca 0.64 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1jvr s PRO 107 Cb -0.45 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1jvr s PRO 107 CO 0.59 0.07 0.00 0.25 0.04 0.00 0.00 177.00 177.95 1jvr n THR 108 N 0.66 0.00 -0.49 1.26 -2.24 -1.26 -4.79 114.28 107.42 1jvr n THR 108 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1jvr n THR 108 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1jvr n THR 108 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jvr n THR 109 N 0.00 0.00 -3.79 4.28 5.66 -1.26 -4.82 114.28 114.35 1jvr n THR 109 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1jvr n THR 109 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1jvr n THR 109 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jvr n THR 110 N -0.07 -3.40 -1.53 1.09 -2.24 -1.26 -4.92 114.28 101.95 1jvr n THR 110 Ca 0.00 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1jvr n THR 110 Cb 0.00 -2.97 0.15 0.00 -2.10 0.00 0.00 70.33 65.40 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 -4.90 0.90 -0.33 -0.78 0.04 -1.26 -4.97 135.00 123.71 1jvr s PRO 111 Ca 0.01 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 1jvr s PRO 111 Cb -0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1jvr s PRO 111 CO 0.90 -2.34 1.37 -1.25 0.04 0.00 0.00 177.00 175.71 1jvr s PRO 112 N -5.34 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 127.50 1jvr s PRO 112 Ca 0.65 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1jvr s PRO 112 Cb -0.13 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1jvr s PRO 112 CO 0.53 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 176.42 1jvr s PRO 113 N 4.45 3.80 0.82 0.56 0.04 -1.26 -5.01 135.00 138.40 1jvr s PRO 113 Ca 0.59 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 113 Cb -0.17 -3.94 0.08 0.00 0.04 0.00 0.00 34.50 30.52 1jvr s PRO 113 CO 0.27 -1.27 1.10 -1.25 0.04 0.00 0.00 177.00 175.89 1jvr s PRO 114 N 4.45 1.94 0.62 0.56 0.04 -1.26 -5.04 135.00 136.31 1jvr s PRO 114 Ca 0.59 0.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1jvr s PRO 114 Cb -0.17 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1jvr s PRO 114 CO 0.27 -1.71 1.05 -1.25 0.04 0.00 0.00 177.00 175.40 1jvr s PRO 115 N -5.18 3.25 0.59 0.56 0.04 -1.26 -5.04 135.00 127.96 1jvr s PRO 115 Ca 0.61 1.10 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1jvr s PRO 115 Cb -0.14 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1jvr s PRO 115 CO 0.54 -0.86 1.05 -1.25 0.04 0.00 0.00 177.00 176.52 1jvr s PRO 116 N -4.40 3.36 0.00 0.56 0.04 -1.26 -5.00 135.00 128.30 1jvr s PRO 116 Ca 0.61 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1jvr s PRO 116 Cb -0.15 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1jvr s PRO 116 CO 0.43 -0.78 1.19 -1.25 0.04 0.00 0.00 177.00 176.63 1jvr s PRO 117 N -4.17 4.40 0.74 0.56 0.04 -1.26 -5.01 135.00 130.30 1jvr s PRO 117 Ca 0.62 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1jvr s PRO 117 Cb -0.15 -3.46 0.04 0.00 0.04 0.00 0.00 34.50 30.98 1jvr s PRO 117 CO 0.38 -0.34 1.11 -1.12 0.04 0.00 0.00 177.00 177.07 1jvr s SER 118 N 1.27 4.54 -1.15 6.66 0.01 -1.26 -4.86 113.70 118.91 1jvr s SER 118 Ca 0.57 1.96 -0.13 0.00 1.31 0.00 0.00 55.95 59.67 1jvr s SER 118 Cb -0.27 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.35 1jvr s SER 118 CO 0.26 -2.01 2.27 -0.81 0.41 0.00 0.00 173.24 173.36 1jvr n PRO 119 N -3.14 2.45 0.00 12.44 -0.04 -1.26 -4.75 135.00 140.70 1jvr n PRO 119 Ca 0.10 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1jvr n PRO 119 Cb 0.52 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1jvr n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jvr n GLU 120 N 5.26 0.00 0.05 0.54 -0.58 -1.26 -3.84 120.64 120.81 1jvr n GLU 120 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1jvr n GLU 120 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jvr n ALA 121 N 0.40 0.00 0.00 0.62 0.00 -1.26 -5.04 120.51 115.23 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.01 0.00 -3.86 0.00 8.25 -1.25 -4.44 115.22 110.91 1jvr n HIS 122 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1jvr n HIS 122 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1jvr n HIS 122 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1jvr s VAL 123 N 0.00 3.05 0.60 1.59 -7.23 -1.26 -5.09 120.40 112.05 1jvr s VAL 123 Ca 0.00 -3.48 -0.15 0.00 -1.81 0.00 0.00 61.98 56.54 1jvr s VAL 123 Cb 0.00 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1jvr s VAL 123 CO 0.00 -0.88 1.05 -2.16 -0.31 0.00 0.00 175.10 172.80 1jvr s PRO 124 N -0.56 3.35 0.62 4.82 0.04 -1.26 -5.04 135.00 136.96 1jvr s PRO 124 Ca 0.19 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 1jvr s PRO 124 Cb -0.19 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1jvr s PRO 124 CO -0.05 -0.78 1.05 -1.25 0.04 0.00 0.00 177.00 176.01 1jvr s PRO 125 N -4.18 3.27 -0.71 0.56 0.04 -1.26 -4.90 135.00 127.82 1jvr s PRO 125 Ca 0.62 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 125 Cb -0.15 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1jvr s PRO 125 CO 0.38 -0.84 2.63 -0.35 0.04 0.00 0.00 177.00 178.86 1jvr n PRO 126 N -2.31 2.24 -1.31 0.56 -0.04 -1.26 -4.90 135.00 127.99 1jvr n PRO 126 Ca 0.08 -1.34 -0.29 0.00 -0.04 0.00 0.00 63.50 61.91 1jvr n PRO 126 Cb 0.53 -2.30 0.19 0.00 -0.04 0.00 0.00 33.50 31.88 1jvr n PRO 126 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jvr s TYR 127 N 2.31 1.69 0.00 0.54 -0.85 -1.26 -2.79 117.35 116.99 1jvr s TYR 127 Ca 0.51 0.74 0.00 0.00 -0.52 0.00 0.00 57.07 57.80 1jvr s TYR 127 Cb 0.18 -3.43 0.00 0.00 0.38 0.00 0.00 41.96 39.09 1jvr s TYR 127 CO -0.03 -3.04 0.00 0.28 -1.52 0.00 0.00 175.55 171.24 1jvr n VAL 128 N -4.22 0.00 -3.78 -3.49 0.31 -1.26 -4.14 118.33 101.75 1jvr n VAL 128 Ca 0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.07 1jvr n VAL 128 Cb 0.59 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.41 1jvr n VAL 128 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1jvr s GLU 129 N 0.00 2.34 0.63 5.55 8.01 -1.26 -5.09 118.70 128.88 1jvr s GLU 129 Ca 0.00 -2.43 -0.14 0.00 0.01 0.00 0.00 54.97 52.41 1jvr s GLU 129 Cb 0.00 -3.62 -0.02 0.00 -4.31 0.00 0.00 34.13 26.18 1jvr s GLU 129 CO 0.00 -1.14 1.05 -1.25 0.01 0.00 0.00 175.26 173.93 1jvr s PRO 130 N 0.09 3.21 0.46 0.39 0.04 -1.12 -4.88 135.00 133.20 1jvr s PRO 130 Ca 0.16 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1jvr s PRO 130 Cb -0.22 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1jvr s PRO 130 CO -0.03 -0.88 0.00 0.25 0.04 0.00 0.00 177.00 176.38 1jvr n THR 131 N -2.46 0.00 -3.64 1.26 -2.24 -1.26 -4.94 114.28 100.99 1jvr n THR 131 Ca 0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1jvr n THR 131 Cb 0.53 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1jvr n THR 131 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jvr s THR 132 N 0.00 0.00 0.00 4.28 -1.32 -1.26 -5.14 115.64 112.20 1jvr s THR 132 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1jvr s THR 132 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1jvr s THR 132 CO 0.00 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.76 1jvr n THR 133 N 2.14 0.00 -1.16 5.08 -2.24 -1.26 -4.94 114.28 111.90 1jvr n THR 133 Ca -0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1jvr n THR 133 Cb 0.56 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 -2.78 -0.89 -0.78 1.13 -1.26 -4.88 117.38 107.92 1jvr n GLN 134 Ca 0.00 2.25 -0.29 0.00 -1.94 0.00 0.00 57.00 57.02 1jvr n GLN 134 Cb 0.00 -3.11 0.20 0.00 0.11 0.00 0.00 30.24 27.44 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62