#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 0.77 -0.75 -1.40 -2.45 -1.26 -4.93 119.30 109.27 1jvr s MET 1 Ca 0.00 -1.32 -0.04 0.00 -1.25 0.00 0.00 55.69 53.09 1jvr s MET 1 Cb 0.00 0.09 -0.04 0.00 1.25 0.00 0.00 34.83 36.13 1jvr s MET 1 CO 0.00 -0.12 0.67 0.41 1.05 0.00 0.00 175.02 177.02 1jvr n GLY 2 N 0.01 -0.73 3.61 2.11 0.00 -1.26 -5.04 105.19 103.89 1jvr n GLY 2 Ca -0.11 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.87 0.21 0.00 1.61 -1.52 -1.26 -5.02 119.66 109.81 1jvr s GLN 3 Ca 0.29 -0.06 0.00 0.00 -1.95 0.00 0.00 55.36 53.64 1jvr s GLN 3 Cb -0.04 0.10 0.00 0.00 -0.22 0.00 0.00 33.01 32.85 1jvr s GLN 3 CO 0.56 -0.09 0.00 -0.89 -0.25 0.00 0.00 175.29 174.63 1jvr n ILE 4 N 0.04 0.00 0.00 1.08 2.08 -1.26 -4.84 119.36 116.46 1jvr n ILE 4 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1jvr n ILE 4 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.47 1jvr n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jvr n HIS 5 N 0.00 0.00 0.00 1.39 1.44 -1.26 -4.77 115.22 112.02 1jvr n HIS 5 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1jvr n HIS 5 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jvr n GLY 6 N 0.00 1.32 2.72 -1.39 0.00 -1.26 -4.77 105.19 101.80 1jvr n GLY 6 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 1jvr n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jvr n LEU 7 N 0.00 0.00 -2.62 0.99 7.99 -1.26 -4.68 117.00 117.41 1jvr n LEU 7 Ca 0.00 -0.85 -0.05 0.00 -0.01 0.00 0.00 56.01 55.10 1jvr n LEU 7 Cb 0.00 -0.80 0.01 0.00 -0.11 0.00 0.00 43.42 42.51 1jvr n LEU 7 CO 0.00 -2.19 -0.09 -0.24 -1.51 0.00 0.00 177.39 173.36 1jvr n SER 8 N -4.80 -7.14 -3.19 -1.43 2.88 -1.26 -4.79 113.62 93.90 1jvr n SER 8 Ca 0.12 0.68 -0.28 0.00 -1.33 0.00 0.00 58.87 58.06 1jvr n SER 8 Cb 0.48 -4.77 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 1jvr n SER 8 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jvr n PRO 9 N -0.07 2.72 -0.02 -1.46 -0.04 -1.26 -4.47 135.00 130.40 1jvr n PRO 9 Ca 0.07 -1.73 -0.12 0.00 -0.04 0.00 0.00 63.50 61.68 1jvr n PRO 9 Cb 0.28 -2.57 -0.10 0.00 -0.04 0.00 0.00 33.50 31.07 1jvr n PRO 9 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jvr h THR 10 N 3.21 1.38 -4.12 0.52 2.02 -1.95 -3.45 112.91 110.52 1jvr h THR 10 Ca 0.64 -1.57 -0.48 0.00 0.77 0.00 0.00 66.41 65.77 1jvr h THR 10 Cb 0.25 2.38 0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1jvr h THR 10 CO 1.54 0.38 0.38 -2.16 0.37 0.00 0.00 175.52 176.03 1jvr s PRO 11 N -3.27 3.67 -0.05 6.66 0.04 -1.26 -4.99 135.00 135.80 1jvr s PRO 11 Ca -0.16 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1jvr s PRO 11 Cb -0.00 -2.08 -0.24 0.00 0.04 0.00 0.00 34.50 32.22 1jvr s PRO 11 CO 0.62 -0.53 1.02 0.82 0.04 0.00 0.00 177.00 178.97 1jvr h ILE 12 N 1.20 1.55 -3.00 0.56 1.08 -2.00 -3.43 117.51 113.46 1jvr h ILE 12 Ca -0.49 -2.00 -0.57 0.00 -0.39 0.00 0.00 64.86 61.42 1jvr h ILE 12 Cb 1.22 2.80 -0.04 0.00 -3.07 0.00 0.00 36.82 37.72 1jvr h ILE 12 CO 0.59 0.55 0.95 -2.16 -0.69 0.00 0.00 178.15 177.39 1jvr s PRO 13 N -3.07 4.06 0.06 2.37 0.04 -1.26 -4.72 135.00 132.48 1jvr s PRO 13 Ca -0.16 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1jvr s PRO 13 Cb 0.01 -3.84 -0.00 0.00 0.04 0.00 0.00 34.50 30.71 1jvr s PRO 13 CO 0.75 -0.94 0.00 0.36 0.04 0.00 0.00 177.00 177.21 1jvr n LYS 14 N 7.01 1.77 -0.36 4.56 2.85 -1.26 -4.90 118.16 127.83 1jvr n LYS 14 Ca 0.15 -0.46 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 1jvr n LYS 14 Cb 0.46 0.13 0.06 0.00 -0.65 0.00 0.00 35.03 35.03 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jvr h ALA 15 N 1.04 0.25 0.04 0.58 0.00 -1.99 -1.32 119.26 117.86 1jvr h ALA 15 Ca -0.05 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jvr h ALA 15 Cb 0.16 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jvr h ALA 15 CO 0.09 -0.57 -0.02 -1.00 0.00 0.00 0.00 179.25 177.74 1jvr h PRO 16 N -0.01 -0.05 -4.40 0.00 0.13 -1.98 -3.49 132.00 122.20 1jvr h PRO 16 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 1jvr h PRO 16 Cb 0.62 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1jvr h PRO 16 CO -0.97 0.60 -0.15 0.54 -0.23 0.00 0.00 178.00 177.80 1jvr n ARG 17 N -4.77 -1.10 0.00 0.86 1.74 -0.50 -5.02 116.66 107.86 1jvr n ARG 17 Ca -0.08 1.28 0.00 0.00 -0.77 0.00 0.00 57.85 58.28 1jvr n ARG 17 Cb 0.33 -4.04 0.00 0.00 -1.02 0.00 0.00 32.46 27.73 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 -0.94 4.26 2.53 -0.13 0.00 -1.26 -4.91 105.19 104.73 1jvr n GLY 18 Ca 0.03 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1jvr n GLY 18 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jvr n LEU 19 N 0.00 4.98 -3.01 0.99 7.94 -1.26 -4.99 117.00 121.65 1jvr n LEU 19 Ca 0.00 -5.19 -0.01 0.00 -1.11 0.00 0.00 56.01 49.70 1jvr n LEU 19 Cb 0.00 -0.52 -0.01 0.00 0.53 0.00 0.00 43.42 43.42 1jvr n LEU 19 CO 0.00 2.20 -0.37 -1.20 -1.11 0.00 0.00 177.39 176.91 1jvr n SER 20 N -0.48 -6.40 -0.27 1.96 7.64 -1.26 -3.88 113.62 110.92 1jvr n SER 20 Ca 0.40 0.85 0.08 0.00 1.01 0.00 0.00 58.87 61.22 1jvr n SER 20 Cb 0.62 -2.59 0.22 0.00 -1.01 0.00 0.00 64.21 61.45 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 4.04 0.44 -0.89 0.44 2.02 -1.98 0.58 112.91 117.54 1jvr h THR 21 Ca -0.07 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1jvr h THR 21 Cb 0.57 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1jvr h THR 21 CO 0.02 0.05 0.55 0.45 0.37 0.00 0.00 175.52 176.95 1jvr h HIS 22 N 0.25 1.17 -0.43 3.16 3.86 -1.86 1.52 115.15 122.82 1jvr h HIS 22 Ca 0.47 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1jvr h HIS 22 Cb 0.86 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1jvr h HIS 22 CO -0.27 0.77 0.25 1.25 0.86 0.00 0.00 177.93 180.80 1jvr h HIS 23 N 1.23 0.57 -0.21 2.45 6.17 -0.21 0.13 115.15 125.29 1jvr h HIS 23 Ca 0.32 -0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.28 1jvr h HIS 23 Cb -0.06 -0.19 -0.00 0.00 2.52 0.00 0.00 27.41 29.68 1jvr h HIS 23 CO -0.00 0.42 -0.32 2.35 0.71 0.00 0.00 177.93 181.09 1jvr h TRP 24 N 0.56 0.72 -0.77 5.26 -0.00 -0.18 -2.71 115.95 118.83 1jvr h TRP 24 Ca 0.15 -0.24 0.21 0.00 -0.00 0.00 0.00 58.89 59.01 1jvr h TRP 24 Cb 0.02 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.00 1jvr h TRP 24 CO -0.03 0.97 0.55 1.25 -0.00 0.00 0.00 178.44 181.18 1jvr h LEU 25 N 0.26 0.09 -1.49 0.65 5.85 0.25 1.61 115.31 122.52 1jvr h LEU 25 Ca 0.02 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1jvr h LEU 25 Cb 0.90 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1jvr h LEU 25 CO 0.07 0.04 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.88 1jvr h ASN 26 N 0.09 0.00 0.20 1.25 -1.24 -0.64 0.37 115.58 115.61 1jvr h ASN 26 Ca 0.38 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 57.04 1jvr h ASN 26 Cb 1.35 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.35 1jvr h ASN 26 CO -0.04 0.20 -2.06 0.33 -1.29 0.00 0.00 177.43 174.56 1jvr n PHE 27 N -3.56 0.68 0.56 0.67 -0.00 0.50 -3.57 117.46 112.73 1jvr n PHE 27 Ca -0.01 0.20 0.12 0.00 -0.00 0.00 0.00 57.45 57.76 1jvr n PHE 27 Cb 0.34 -1.11 0.45 0.00 -0.00 0.00 0.00 39.48 39.17 1jvr n PHE 27 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1jvr n LEU 28 N -3.13 0.62 -0.03 -2.13 7.94 0.17 -2.26 117.00 118.18 1jvr n LEU 28 Ca -0.29 0.60 -0.01 0.00 -1.11 0.00 0.00 56.01 55.20 1jvr n LEU 28 Cb 1.07 -0.45 -0.00 0.00 0.53 0.00 0.00 43.42 44.56 1jvr n LEU 28 CO 0.41 -0.33 -0.05 1.56 -1.11 0.00 0.00 177.39 177.88 1jvr h GLN 29 N 0.00 0.00 -0.90 1.96 4.20 -1.05 -2.85 115.11 116.47 1jvr h GLN 29 Ca 0.00 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.94 1jvr h GLN 29 Cb 0.53 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1jvr h GLN 29 CO 0.00 0.00 0.62 0.00 -0.67 0.00 0.00 178.83 178.78 1jvr h ALA 30 N -1.51 2.54 -0.06 3.87 0.00 -1.64 1.29 119.26 123.74 1jvr h ALA 30 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1jvr h ALA 30 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jvr h ALA 30 CO 0.00 -0.81 -0.49 0.00 0.00 0.00 0.00 179.25 177.95 1jvr h ALA 31 N 1.59 1.07 0.00 0.00 0.00 -1.58 -2.50 119.26 117.84 1jvr h ALA 31 Ca 0.45 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jvr h ALA 31 Cb 1.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1jvr h ALA 31 CO -0.10 0.64 -0.09 -0.92 0.00 0.00 0.00 179.25 178.78 1jvr h TYR 32 N 0.12 0.00 -0.00 0.00 5.03 0.18 -3.04 116.97 119.26 1jvr h TYR 32 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jvr h TYR 32 Cb 0.91 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1jvr h TYR 32 CO 0.01 0.00 -0.11 -2.13 -1.32 0.00 0.00 178.16 174.61 1jvr n ARG 33 N -2.83 0.26 -0.11 1.82 0.63 0.28 -3.67 116.66 113.04 1jvr n ARG 33 Ca 0.04 -0.06 -0.24 0.00 -0.92 0.00 0.00 57.85 56.67 1jvr n ARG 33 Cb 0.50 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.80 1jvr n ARG 33 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1jvr n LEU 34 N -1.32 2.30 0.00 6.15 4.77 -1.14 -5.08 117.00 122.67 1jvr n LEU 34 Ca 0.10 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1jvr n LEU 34 Cb 0.30 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1jvr n LEU 34 CO 0.27 0.64 0.00 0.00 -1.33 0.00 0.00 177.39 176.97 1jvr n GLN 35 N -3.92 0.00 -1.56 3.23 10.64 -1.17 -5.01 117.38 119.58 1jvr n GLN 35 Ca -0.44 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.42 1jvr n GLN 35 Cb 0.89 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 30.34 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1jvr s PRO 36 N -3.84 2.67 0.00 2.61 0.04 -1.26 -5.03 135.00 130.19 1jvr s PRO 36 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1jvr s PRO 36 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1jvr s PRO 36 CO 0.00 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1jvr n GLY 37 N -2.02 0.23 1.09 0.56 0.00 -1.26 -5.14 105.19 98.64 1jvr n GLY 37 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.49 -1.01 -0.03 1.61 -0.04 -1.26 -4.93 135.00 128.85 1jvr n PRO 38 Ca 0.00 -0.56 0.03 0.00 -0.04 0.00 0.00 63.50 62.93 1jvr n PRO 38 Cb 0.00 -0.44 0.38 0.00 -0.04 0.00 0.00 33.50 33.39 1jvr n PRO 38 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jvr h SER 39 N -1.01 0.52 -2.23 3.54 0.87 -2.06 -3.43 113.55 109.74 1jvr h SER 39 Ca -0.12 -0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 59.79 1jvr h SER 39 Cb 0.36 -0.13 0.11 0.00 -0.44 0.00 0.00 62.40 62.30 1jvr h SER 39 CO 0.08 0.42 -0.01 0.47 -0.53 0.00 0.00 176.83 177.27 1jvr n ASP 40 N -4.43 0.77 0.00 6.23 10.43 -1.26 -4.81 116.55 123.48 1jvr n ASP 40 Ca 0.03 1.16 0.12 0.00 2.57 0.00 0.00 54.79 58.67 1jvr n ASP 40 Cb 0.09 -1.23 0.69 0.00 1.84 0.00 0.00 41.12 42.51 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1jvr n PHE 41 N 0.11 0.00 -1.45 1.24 3.01 -1.26 -4.70 117.46 114.42 1jvr n PHE 41 Ca 0.11 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.42 1jvr n PHE 41 Cb 0.31 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.72 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jvr n ASP 42 N -0.88 -4.02 -0.00 4.37 5.68 -1.26 -4.70 116.55 115.73 1jvr n ASP 42 Ca 0.17 0.38 0.03 0.00 -0.50 0.00 0.00 54.79 54.87 1jvr n ASP 42 Cb 0.08 -3.69 -0.04 0.00 -1.14 0.00 0.00 41.12 36.34 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1jvr n PHE 43 N -2.01 0.00 0.16 2.11 3.72 -1.26 -4.54 117.46 115.63 1jvr n PHE 43 Ca -0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.12 1jvr n PHE 43 Cb 0.50 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1jvr h GLN 44 N 0.00 -0.42 0.00 -1.08 5.75 -1.98 0.34 115.11 117.73 1jvr h GLN 44 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1jvr h GLN 44 Cb 0.18 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1jvr h GLN 44 CO 0.00 -0.09 0.01 -0.56 -2.65 0.00 0.00 178.83 175.54 1jvr h GLN 45 N -0.84 0.00 0.00 1.69 -0.00 -1.98 -0.30 115.11 113.68 1jvr h GLN 45 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.57 1jvr h GLN 45 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.00 1jvr h GLN 45 CO 0.07 0.00 -0.44 -0.07 -0.00 0.00 0.00 178.83 178.40 1jvr h LEU 46 N 0.00 0.00 -2.08 0.06 3.38 -1.74 -3.04 115.31 111.89 1jvr h LEU 46 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jvr h LEU 46 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jvr h LEU 46 CO 0.00 0.82 0.24 -0.09 0.09 0.00 0.00 178.44 179.50 1jvr h ARG 47 N -1.00 0.00 0.00 1.13 9.65 0.14 0.25 114.38 124.55 1jvr h ARG 47 Ca -0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1jvr h ARG 47 Cb 0.53 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1jvr h ARG 47 CO -0.03 0.00 -0.07 -0.09 2.80 0.00 0.00 179.97 182.57 1jvr h ARG 48 N 0.00 0.00 -0.81 0.20 2.43 -1.18 -2.51 114.38 112.51 1jvr h ARG 48 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1jvr h ARG 48 Cb 0.48 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1jvr h ARG 48 CO 0.00 0.93 0.45 0.35 -1.51 0.00 0.00 179.97 180.20 1jvr h PHE 49 N -1.00 1.09 0.23 2.20 3.57 -0.97 0.69 116.94 122.76 1jvr h PHE 49 Ca -0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1jvr h PHE 49 Cb 0.95 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1jvr h PHE 49 CO 0.25 0.75 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.90 1jvr h LEU 50 N 1.12 -0.27 -2.24 0.59 3.38 -1.15 -0.68 115.31 116.06 1jvr h LEU 50 Ca 0.29 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1jvr h LEU 50 Cb 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jvr h LEU 50 CO -0.05 0.04 0.13 0.50 0.09 0.00 0.00 178.44 179.15 1jvr h LYS 51 N -0.59 0.00 0.22 1.13 3.64 -1.20 0.22 116.57 119.99 1jvr h LYS 51 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1jvr h LYS 51 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1jvr h LYS 51 CO 0.05 0.00 -0.11 1.25 -2.27 0.00 0.00 179.45 178.38 1jvr h LEU 52 N 0.00 -0.25 -1.82 5.20 6.46 -0.36 -3.08 115.31 121.45 1jvr h LEU 52 Ca 0.06 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1jvr h LEU 52 Cb 0.32 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1jvr h LEU 52 CO -0.00 0.22 0.00 0.00 -0.62 0.00 0.00 178.44 178.04 1jvr h ALA 53 N -0.27 1.86 -0.69 1.25 0.00 -0.17 -0.25 119.26 121.00 1jvr h ALA 53 Ca -0.03 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.02 1jvr h ALA 53 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1jvr h ALA 53 CO 0.05 0.11 0.49 -0.07 0.00 0.00 0.00 179.25 179.83 1jvr h LEU 54 N 0.11 0.04 0.00 0.00 4.07 -0.52 1.74 115.31 120.74 1jvr h LEU 54 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1jvr h LEU 54 Cb 0.08 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1jvr h LEU 54 CO 0.00 0.02 0.00 0.29 -1.08 0.00 0.00 178.44 177.67 1jvr n LYS 55 N -4.35 0.08 -3.82 1.13 4.76 -0.10 -3.82 118.16 112.03 1jvr n LYS 55 Ca 0.13 0.22 -0.29 0.00 -2.87 0.00 0.00 58.31 55.51 1jvr n LYS 55 Cb 0.73 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.30 1jvr n LYS 55 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1jvr s THR 56 N -2.83 2.30 -0.44 -0.18 2.01 0.59 -4.98 115.64 112.12 1jvr s THR 56 Ca 0.09 -3.64 -0.06 0.00 0.31 0.00 0.00 61.69 58.40 1jvr s THR 56 Cb 0.09 -2.55 -0.15 0.00 0.01 0.00 0.00 72.50 69.90 1jvr s THR 56 CO 0.24 -0.98 2.72 -0.81 -0.69 0.00 0.00 174.62 175.10 1jvr n PRO 57 N 2.53 1.96 -0.00 4.92 -0.04 -1.25 -3.38 135.00 139.74 1jvr n PRO 57 Ca 0.16 -1.12 0.01 0.00 -0.04 0.00 0.00 63.50 62.52 1jvr n PRO 57 Cb 0.36 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.09 0.02 -0.00 0.52 0.13 -1.26 -4.43 119.36 117.43 1jvr n ILE 58 Ca 0.42 -0.07 0.04 0.00 -1.10 0.00 0.00 62.75 62.05 1jvr n ILE 58 Cb 0.51 0.26 -0.12 0.00 -0.84 0.00 0.00 39.64 39.45 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 0.37 0.14 9.51 4.27 -1.22 -3.99 117.44 124.87 1jvr n TRP 59 Ca -0.01 0.12 -0.13 0.00 -3.89 0.00 0.00 57.50 53.59 1jvr n TRP 59 Cb 0.13 -0.81 -0.08 0.00 -1.36 0.00 0.00 31.31 29.20 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 -0.26 5.67 4.07 -1.81 1.46 115.31 124.12 1jvr h LEU 60 Ca -0.15 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 57.64 1jvr h LEU 60 Cb 1.40 0.08 -0.07 0.00 1.08 0.00 0.00 40.66 43.15 1jvr h LEU 60 CO 0.02 0.07 -0.53 0.78 -1.08 0.00 0.00 178.44 177.69 1jvr h ASN 61 N -0.77 -1.74 0.77 -0.43 2.35 -1.77 0.33 115.58 114.32 1jvr h ASN 61 Ca -0.04 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1jvr h ASN 61 Cb 0.50 0.69 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1jvr h ASN 61 CO 0.06 -0.43 0.00 -0.81 -1.65 0.00 0.00 177.43 174.60 1jvr n PRO 62 N -5.30 0.01 -2.84 0.81 -0.04 -1.23 -4.96 135.00 121.45 1jvr n PRO 62 Ca -0.05 0.14 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1jvr n PRO 62 Cb 0.35 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.54 -1.95 -3.55 0.52 0.13 0.50 -4.98 119.36 108.49 1jvr n ILE 63 Ca 0.05 0.37 -0.03 0.00 -1.10 0.00 0.00 62.75 62.04 1jvr n ILE 63 Cb 0.26 -2.61 -0.05 0.00 -0.84 0.00 0.00 39.64 36.39 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 -0.82 0.00 9.51 1.11 -0.98 -5.00 116.67 119.58 1jvr s ASP 64 Ca 0.05 1.20 0.07 0.00 0.18 0.00 0.00 52.55 54.05 1jvr s ASP 64 Cb -0.01 1.92 0.28 0.00 1.07 0.00 0.00 42.92 46.19 1jvr s ASP 64 CO 0.12 -0.24 1.20 0.00 1.18 0.00 0.00 175.17 177.44 1jvr n TYR 65 N 5.42 0.00 0.05 4.23 4.19 -1.26 -1.80 117.16 128.00 1jvr n TYR 65 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 1jvr n TYR 65 Cb 0.50 -0.49 0.31 0.00 0.49 0.00 0.00 39.34 40.14 1jvr n TYR 65 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jvr h SER 66 N 0.00 0.37 1.41 2.98 4.64 -1.94 -1.32 113.55 119.69 1jvr h SER 66 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1jvr h SER 66 Cb 0.11 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1jvr h SER 66 CO 0.00 0.53 -0.34 0.25 -0.87 0.00 0.00 176.83 176.39 1jvr h LEU 67 N 0.36 0.00 0.62 5.97 6.46 -1.75 -3.28 115.31 123.69 1jvr h LEU 67 Ca 0.07 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1jvr h LEU 67 Cb 0.44 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1jvr h LEU 67 CO 0.02 0.02 -0.30 -0.07 -0.62 0.00 0.00 178.44 177.50 1jvr h LEU 68 N 0.00 -0.71 -2.11 2.25 3.38 -1.30 -1.73 115.31 115.09 1jvr h LEU 68 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jvr h LEU 68 Cb 0.88 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jvr h LEU 68 CO 0.00 -0.38 0.25 0.00 0.09 0.00 0.00 178.44 178.40 1jvr h ALA 69 N -1.37 1.25 -0.07 1.53 0.00 -1.61 0.20 119.26 119.18 1jvr h ALA 69 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1jvr h ALA 69 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1jvr h ALA 69 CO 0.14 -0.25 -0.36 1.03 0.00 0.00 0.00 179.25 179.81 1jvr h SER 70 N 0.00 0.43 -0.81 0.00 0.87 -1.51 -3.09 113.55 109.44 1jvr h SER 70 Ca 0.00 -0.66 0.17 0.00 -1.23 0.00 0.00 61.79 60.07 1jvr h SER 70 Cb 0.50 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 1jvr h SER 70 CO 0.00 1.02 0.54 -0.07 -0.53 0.00 0.00 176.83 177.79 1jvr h LEU 71 N -0.13 0.39 -9.13 2.23 4.07 0.29 -3.41 115.31 109.63 1jvr h LEU 71 Ca -0.03 0.03 -0.66 0.00 0.08 0.00 0.00 57.88 57.30 1jvr h LEU 71 Cb 1.02 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.73 1jvr h LEU 71 CO 0.07 0.19 1.10 -0.38 -1.08 0.00 0.00 178.44 178.34 1jvr n ILE 72 N -4.48 0.45 -0.70 1.22 5.41 -1.13 -4.77 119.36 115.35 1jvr n ILE 72 Ca 0.16 -0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.71 1jvr n ILE 72 Cb 0.59 -1.69 -0.11 0.00 -0.71 0.00 0.00 39.64 37.73 1jvr n ILE 72 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1jvr n PRO 73 N 6.59 1.40 -1.52 0.38 -0.04 -1.26 -4.79 135.00 135.75 1jvr n PRO 73 Ca 0.26 -0.64 -0.01 0.00 -0.04 0.00 0.00 63.50 63.07 1jvr n PRO 73 Cb 0.24 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1jvr n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jvr n LYS 74 N 2.48 -0.15 0.00 0.54 3.00 -1.26 -4.13 118.16 118.64 1jvr n LYS 74 Ca 0.28 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 1jvr n LYS 74 Cb 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.29 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jvr n GLY 75 N 0.71 0.13 2.61 3.14 0.00 -1.26 -5.12 105.19 105.40 1jvr n GLY 75 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -1.94 -0.64 1.61 9.36 -1.26 -4.94 117.16 119.34 1jvr n TYR 76 Ca 0.00 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1jvr n TYR 76 Cb 0.00 -1.39 0.00 0.00 -0.63 0.00 0.00 39.34 37.32 1jvr n TYR 76 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jvr n PRO 77 N 1.12 -0.29 -0.33 2.98 -0.04 -1.26 -4.84 135.00 132.34 1jvr n PRO 77 Ca 0.08 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1jvr n PRO 77 Cb 0.34 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.77 1.86 0.55 0.00 -1.26 -3.98 105.19 105.34 1jvr n GLY 78 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.79 4.31 -0.27 1.61 3.00 -1.26 -4.47 116.66 117.80 1jvr n ARG 79 Ca 0.00 -3.13 -0.03 0.00 -0.01 0.00 0.00 57.85 54.69 1jvr n ARG 79 Cb 0.15 -2.22 0.09 0.00 0.00 0.00 0.00 32.46 30.48 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jvr h VAL 80 N 3.32 1.10 -0.38 1.55 2.07 -1.84 -0.92 116.25 121.16 1jvr h VAL 80 Ca 0.10 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.16 1jvr h VAL 80 Cb 2.08 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1jvr h VAL 80 CO 0.57 0.17 -0.36 0.58 0.02 0.00 0.00 177.57 178.55 1jvr h VAL 81 N 0.91 1.28 -0.26 2.57 2.07 -1.80 -0.70 116.25 120.31 1jvr h VAL 81 Ca 0.30 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 66.36 1jvr h VAL 81 Cb 0.02 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1jvr h VAL 81 CO -0.11 0.51 0.19 -0.08 0.02 0.00 0.00 177.57 178.10 1jvr h GLU 82 N 0.72 0.03 0.00 1.57 4.81 -1.59 1.82 114.58 121.94 1jvr h GLU 82 Ca 0.07 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1jvr h GLU 82 Cb 0.93 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1jvr h GLU 82 CO 0.09 0.02 -0.28 0.82 -0.73 0.00 0.00 179.01 178.92 1jvr h ILE 83 N 0.03 1.26 0.00 2.32 2.04 -0.84 -3.28 117.51 119.04 1jvr h ILE 83 Ca 0.12 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.92 1jvr h ILE 83 Cb 0.46 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1jvr h ILE 83 CO -0.01 0.43 -0.09 0.40 0.00 0.00 0.00 178.15 178.88 1jvr h ILE 84 N -1.00 0.95 -0.41 -0.67 2.04 -0.62 -0.41 117.51 117.40 1jvr h ILE 84 Ca -0.07 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1jvr h ILE 84 Cb 0.89 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1jvr h ILE 84 CO -0.04 0.09 0.27 -1.13 0.00 0.00 0.00 178.15 177.33 1jvr h ASN 85 N 0.00 0.46 -0.20 1.72 -1.24 0.27 0.67 115.58 117.26 1jvr h ASN 85 Ca -0.00 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1jvr h ASN 85 Cb 0.16 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1jvr h ASN 85 CO 0.01 0.33 -0.01 0.40 -1.29 0.00 0.00 177.43 176.87 1jvr h ILE 86 N 0.54 1.19 -0.14 2.57 2.04 -1.12 1.53 117.51 124.12 1jvr h ILE 86 Ca 0.15 -0.78 -0.13 0.00 1.00 0.00 0.00 64.86 65.10 1jvr h ILE 86 Cb -0.04 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1jvr h ILE 86 CO -0.03 0.26 -0.43 -0.07 0.00 0.00 0.00 178.15 177.88 1jvr h LEU 87 N 0.47 0.63 -0.02 1.44 3.38 -0.94 -2.45 115.31 117.83 1jvr h LEU 87 Ca 0.10 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1jvr h LEU 87 Cb 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jvr h LEU 87 CO 0.01 1.12 -0.03 0.58 0.09 0.00 0.00 178.44 180.21 1jvr h VAL 88 N 0.18 1.40 -0.04 1.22 2.07 -0.69 -2.04 116.25 118.35 1jvr h VAL 88 Ca -0.01 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1jvr h VAL 88 Cb 1.05 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1jvr h VAL 88 CO 0.09 0.33 0.30 0.50 0.02 0.00 0.00 177.57 178.81 1jvr h LYS 89 N -0.43 0.00 0.00 1.57 1.63 0.21 -2.32 116.57 117.23 1jvr h LYS 89 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jvr h LYS 89 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1jvr h LYS 89 CO 0.01 0.00 -0.00 -0.97 -3.45 0.00 0.00 179.45 175.03 1jvr h ASN 90 N 0.00 0.00 0.00 4.20 -0.73 -1.06 -3.49 115.58 114.50 1jvr h ASN 90 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1jvr h ASN 90 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1jvr h ASN 90 CO -0.00 0.15 0.00 0.00 -0.37 0.00 0.00 177.43 177.21 1jvr n GLN 91 N -2.82 0.00 -1.80 6.67 1.13 -0.82 -4.89 117.38 114.85 1jvr n GLN 91 Ca -0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1jvr n GLN 91 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1jvr n GLN 91 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1jvr n VAL 92 N 0.00 -0.22 -1.21 5.09 3.14 -0.86 -4.81 118.33 119.46 1jvr n VAL 92 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 1jvr n VAL 92 Cb 0.00 -1.25 0.01 0.00 -1.06 0.00 0.00 33.84 31.53 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1jvr n SER 93 N -0.88 -3.32 -3.38 6.55 3.41 -1.25 -4.94 113.62 109.81 1jvr n SER 93 Ca -0.12 0.67 -0.23 0.00 -0.26 0.00 0.00 58.87 58.94 1jvr n SER 93 Cb 0.46 -0.82 0.17 0.00 -0.26 0.00 0.00 64.21 63.76 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1jvr n PRO 94 N 1.40 -1.80 -2.86 4.33 -0.04 -1.26 -4.96 135.00 129.81 1jvr n PRO 94 Ca 0.08 -1.46 -0.43 0.00 -0.04 0.00 0.00 63.50 61.66 1jvr n PRO 94 Cb 0.43 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 -4.03 6.06 -2.82 3.54 7.64 -1.26 -4.73 113.62 118.01 1jvr n SER 95 Ca 0.12 -3.32 0.01 0.00 1.01 0.00 0.00 58.87 56.69 1jvr n SER 95 Cb 0.45 -1.33 0.01 0.00 -1.01 0.00 0.00 64.21 62.32 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jvr s ALA 96 N -1.92 -4.12 0.85 -0.43 0.00 -1.26 -4.63 121.76 110.24 1jvr s ALA 96 Ca 0.33 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1jvr s ALA 96 Cb 0.05 -2.97 0.10 0.00 0.00 0.00 0.00 23.12 20.30 1jvr s ALA 96 CO 0.07 -2.46 1.12 -1.25 0.00 0.00 0.00 175.76 173.24 1jvr s PRO 97 N 1.86 1.64 0.36 0.00 0.04 -1.26 -4.89 135.00 132.75 1jvr s PRO 97 Ca 0.16 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1jvr s PRO 97 Cb 0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1jvr s PRO 97 CO -0.13 -1.89 0.00 0.00 0.04 0.00 0.00 177.00 175.01 1jvr n ALA 98 N -3.59 -3.19 -1.31 8.56 0.00 -1.26 -5.02 120.51 114.70 1jvr n ALA 98 Ca 0.07 0.51 0.10 0.00 0.00 0.00 0.00 53.44 54.12 1jvr n ALA 98 Cb 0.58 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.75 -2.82 0.07 0.00 0.00 -1.26 -4.76 120.51 108.99 1jvr n ALA 99 Ca -0.02 0.70 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 1jvr n ALA 99 Cb 0.57 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1jvr n ALA 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 100 N -0.78 -0.27 -1.63 0.00 0.13 -1.95 -3.43 132.00 124.07 1jvr h PRO 100 Ca -0.12 0.02 -0.40 0.00 -0.87 0.00 0.00 66.00 64.63 1jvr h PRO 100 Cb 1.10 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1jvr h PRO 100 CO 0.04 -0.05 -0.78 1.55 -0.23 0.00 0.00 178.00 178.54 1jvr n VAL 101 N -4.95 -0.63 -0.88 1.56 3.14 -1.26 -5.02 118.33 110.29 1jvr n VAL 101 Ca -0.05 -2.47 -0.21 0.00 -2.96 0.00 0.00 64.34 58.65 1jvr n VAL 101 Cb 0.17 -0.48 -0.07 0.00 -1.06 0.00 0.00 33.84 32.41 1jvr n VAL 101 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1jvr n PRO 102 N 2.60 2.23 -3.06 1.45 -0.04 -1.26 -4.43 135.00 132.49 1jvr n PRO 102 Ca 0.23 -1.33 -0.14 0.00 -0.04 0.00 0.00 63.50 62.22 1jvr n PRO 102 Cb 0.53 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 1jvr n PRO 102 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jvr s THR 103 N 2.30 -0.43 1.03 0.52 2.01 -1.26 -5.08 115.64 114.74 1jvr s THR 103 Ca 0.51 -1.64 -0.16 0.00 0.31 0.00 0.00 61.69 60.71 1jvr s THR 103 Cb 0.18 -0.54 0.21 0.00 0.01 0.00 0.00 72.50 72.36 1jvr s THR 103 CO -0.03 -0.53 1.20 -2.16 -0.69 0.00 0.00 174.62 172.41 1jvr s PRO 104 N 0.60 0.11 -0.02 4.92 0.04 -1.26 -5.09 135.00 134.30 1jvr s PRO 104 Ca 0.30 -0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.26 1jvr s PRO 104 Cb 0.01 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1jvr s PRO 104 CO -0.11 -2.82 -0.04 0.42 0.04 0.00 0.00 177.00 174.49 1jvr s ILE 105 N -3.41 0.42 0.09 0.56 -1.09 -1.26 -5.15 121.20 111.36 1jvr s ILE 105 Ca 0.70 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.98 1jvr s ILE 105 Cb -0.09 -0.40 -0.04 0.00 -1.58 0.00 0.00 42.46 40.35 1jvr s ILE 105 CO 0.54 0.15 0.16 0.00 -1.23 0.00 0.00 174.94 174.56 1jvr n PRO 107 N 0.17 0.00 0.12 0.00 -0.04 -1.26 -5.01 135.00 128.98 1jvr n PRO 107 Ca -0.07 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1jvr n PRO 107 Cb 0.52 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1jvr n PRO 107 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jvr n THR 108 N -1.98 0.00 -0.32 0.52 -1.04 -1.26 -4.93 114.28 105.26 1jvr n THR 108 Ca 0.00 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.30 1jvr n THR 108 Cb 0.00 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.05 1jvr n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvr h THR 109 N 0.00 0.00 -6.82 12.58 1.03 -2.05 -3.44 112.91 114.22 1jvr h THR 109 Ca 0.00 -0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.07 1jvr h THR 109 Cb 0.00 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.07 1jvr h THR 109 CO 0.00 0.00 -0.60 1.07 -0.01 0.00 0.00 175.52 175.98 1jvr n THR 110 N -5.30 -1.58 -2.05 0.00 5.66 -1.26 -4.85 114.28 104.90 1jvr n THR 110 Ca 0.36 -0.23 -0.33 0.00 -3.05 0.00 0.00 64.05 60.80 1jvr n THR 110 Cb 1.20 -1.37 0.01 0.00 -1.55 0.00 0.00 70.33 68.62 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jvr s PRO 111 N -5.58 3.36 -0.32 1.09 0.04 -1.26 -4.98 135.00 127.35 1jvr s PRO 111 Ca 0.20 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1jvr s PRO 111 Cb -0.11 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1jvr s PRO 111 CO 0.54 -0.77 1.36 -1.25 0.04 0.00 0.00 177.00 176.92 1jvr s PRO 112 N -4.13 3.81 0.91 0.56 0.04 -1.26 -5.01 135.00 129.91 1jvr s PRO 112 Ca 0.63 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1jvr s PRO 112 Cb -0.15 -3.94 0.14 0.00 0.04 0.00 0.00 34.50 30.59 1jvr s PRO 112 CO 0.37 -1.27 1.14 -1.25 0.04 0.00 0.00 177.00 176.04 1jvr s PRO 113 N 4.44 1.16 0.59 0.56 0.04 -1.26 -5.04 135.00 135.49 1jvr s PRO 113 Ca 0.59 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.77 1jvr s PRO 113 Cb -0.17 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1jvr s PRO 113 CO 0.26 -2.18 1.05 -1.25 0.04 0.00 0.00 177.00 174.92 1jvr s PRO 114 N -5.28 3.37 0.76 0.56 0.04 -1.26 -5.04 135.00 128.15 1jvr s PRO 114 Ca 0.64 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1jvr s PRO 114 Cb -0.15 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1jvr s PRO 114 CO 0.53 -0.76 1.08 -1.25 0.04 0.00 0.00 177.00 176.64 1jvr s PRO 115 N -4.15 2.38 0.87 0.56 0.04 -1.26 -5.05 135.00 128.39 1jvr s PRO 115 Ca 0.63 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1jvr s PRO 115 Cb -0.15 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.56 1jvr s PRO 115 CO 0.38 -1.44 1.12 -1.25 0.04 0.00 0.00 177.00 175.85 1jvr s PRO 116 N -5.11 1.52 0.05 0.56 0.04 -1.26 -5.00 135.00 125.79 1jvr s PRO 116 Ca 0.60 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1jvr s PRO 116 Cb -0.14 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1jvr s PRO 116 CO 0.55 -1.97 1.17 -1.25 0.04 0.00 0.00 177.00 175.53 1jvr s PRO 117 N -5.23 4.45 0.29 0.56 0.04 -1.26 -5.03 135.00 128.81 1jvr s PRO 117 Ca 0.63 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 1jvr s PRO 117 Cb -0.15 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1jvr s PRO 117 CO 0.54 -0.24 0.55 -1.54 0.04 0.00 0.00 177.00 176.35 1jvr s SER 118 N 1.08 6.45 1.10 6.66 1.04 -1.26 -5.10 113.70 123.67 1jvr s SER 118 Ca 0.58 0.71 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 1jvr s SER 118 Cb -0.28 -2.14 0.21 0.00 0.10 0.00 0.00 66.02 63.91 1jvr s SER 118 CO 0.29 -0.19 0.97 -0.81 0.98 0.00 0.00 173.24 174.48 1jvr n PRO 119 N -0.91 -1.88 -2.68 4.02 -0.04 -1.26 -5.06 135.00 127.19 1jvr n PRO 119 Ca -0.02 -1.52 -0.05 0.00 -0.04 0.00 0.00 63.50 61.87 1jvr n PRO 119 Cb 0.54 -1.20 0.08 0.00 -0.04 0.00 0.00 33.50 32.88 1jvr n PRO 119 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jvr n GLU 120 N -3.71 0.48 0.00 0.54 0.00 -1.26 -5.00 120.64 111.68 1jvr n GLU 120 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 57.16 56.16 1jvr n GLU 120 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 31.44 31.58 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jvr n ALA 121 N 0.14 0.00 -3.69 -1.84 0.00 -1.26 -4.67 120.51 109.19 1jvr n ALA 121 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 1jvr n ALA 121 Cb 0.73 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.04 1jvr n ALA 121 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jvr s HIS 122 N 0.00 3.14 0.05 0.00 3.76 -1.26 -5.10 115.29 115.88 1jvr s HIS 122 Ca 0.00 -1.67 0.06 0.00 -0.15 0.00 0.00 55.06 53.30 1jvr s HIS 122 Cb 0.00 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.59 1jvr s HIS 122 CO 0.00 -0.75 -0.17 0.54 -0.85 0.00 0.00 174.74 173.50 1jvr s VAL 123 N 1.30 1.37 -0.33 -0.90 0.11 -1.26 -5.07 120.40 115.62 1jvr s VAL 123 Ca -0.02 -1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 57.61 1jvr s VAL 123 Cb -0.18 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1jvr s VAL 123 CO -0.03 0.07 1.37 -2.16 -3.33 0.00 0.00 175.10 171.01 1jvr s PRO 124 N -1.23 3.80 0.76 1.54 0.04 -1.26 -5.01 135.00 133.64 1jvr s PRO 124 Ca 0.04 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1jvr s PRO 124 Cb -0.08 -3.94 0.05 0.00 0.04 0.00 0.00 34.50 30.56 1jvr s PRO 124 CO 0.02 -1.28 1.08 -1.25 0.04 0.00 0.00 177.00 175.61 1jvr s PRO 125 N 4.46 2.38 0.36 0.56 0.04 -1.26 -5.02 135.00 136.52 1jvr s PRO 125 Ca 0.59 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 1jvr s PRO 125 Cb -0.17 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 125 CO 0.27 -1.44 1.06 -1.25 0.04 0.00 0.00 177.00 175.68 1jvr s PRO 126 N -5.12 4.30 -0.43 0.56 0.04 -1.26 -5.02 135.00 128.08 1jvr s PRO 126 Ca 0.60 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1jvr s PRO 126 Cb -0.14 -2.73 0.20 0.00 0.04 0.00 0.00 34.50 31.86 1jvr s PRO 126 CO 0.54 -0.04 0.50 0.98 0.04 0.00 0.00 177.00 179.03 1jvr n TYR 127 N 0.30 -1.59 -4.21 0.56 4.19 -1.26 -5.12 117.16 110.04 1jvr n TYR 127 Ca 0.03 -2.85 -0.14 0.00 3.31 0.00 0.00 57.90 58.25 1jvr n TYR 127 Cb 0.48 0.48 -0.09 0.00 0.49 0.00 0.00 39.34 40.70 1jvr n TYR 127 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1jvr s VAL 128 N 0.00 0.00 0.00 2.97 0.11 -1.26 -5.03 120.40 117.20 1jvr s VAL 128 Ca 0.33 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.42 1jvr s VAL 128 Cb 0.08 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.44 1jvr s VAL 128 CO -0.16 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 170.99 1jvr n GLU 129 N -0.37 0.00 -1.55 1.54 1.02 -1.26 -5.12 120.64 114.90 1jvr n GLU 129 Ca 0.03 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 1jvr n GLU 129 Cb 0.65 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.17 1jvr n GLU 129 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jvr s PRO 130 N 0.00 1.92 0.00 3.49 0.04 -1.26 -3.74 135.00 135.45 1jvr s PRO 130 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1jvr s PRO 130 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1jvr s PRO 130 CO 0.00 -1.72 0.00 2.41 0.04 0.00 0.00 177.00 177.73 1jvr n THR 131 N -3.49 0.00 -3.13 1.26 -1.04 -1.26 -4.41 114.28 102.21 1jvr n THR 131 Ca 0.07 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.63 1jvr n THR 131 Cb 0.57 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.05 1jvr n THR 131 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1jvr s THR 132 N 0.00 5.14 0.78 12.58 -4.23 -1.26 -5.03 115.64 123.61 1jvr s THR 132 Ca 0.00 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 1jvr s THR 132 Cb 0.00 -4.61 0.06 0.00 1.34 0.00 0.00 72.50 69.29 1jvr s THR 132 CO 0.00 -1.26 1.12 0.42 -0.54 0.00 0.00 174.62 174.37 1jvr s THR 133 N 1.53 2.85 0.03 3.99 -4.23 -1.24 -4.35 115.64 114.21 1jvr s THR 133 Ca 0.24 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1jvr s THR 133 Cb -0.09 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1jvr s THR 133 CO -0.08 -0.36 0.00 0.00 -0.54 0.00 0.00 174.62 173.64 1jvr n GLN 134 N -3.27 -0.22 -0.88 3.99 10.64 -1.26 -4.68 117.38 121.71 1jvr n GLN 134 Ca 0.07 0.14 -0.29 0.00 -1.83 0.00 0.00 57.00 55.09 1jvr n GLN 134 Cb 0.58 -0.27 0.18 0.00 -0.86 0.00 0.00 30.24 29.88 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23