#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 0.01 -0.67 -1.40 1.00 -1.26 -5.11 119.30 111.87 1jvr s MET 1 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 55.69 55.58 1jvr s MET 1 Cb 0.00 0.01 0.17 0.00 0.00 0.00 0.00 34.83 35.01 1jvr s MET 1 CO 0.00 -0.02 0.60 0.20 0.00 0.00 0.00 175.02 175.80 1jvr s GLY 2 N 3.00 2.40 0.32 -0.03 0.00 -1.26 -4.92 107.32 106.82 1jvr s GLY 2 Ca 0.20 -2.99 0.08 0.00 0.00 0.00 0.00 44.72 42.01 1jvr s GLY 2 CO -0.17 1.20 1.52 -1.06 0.00 0.00 0.00 173.10 174.59 1jvr n GLN 3 N 4.40 -0.07 -0.32 2.90 3.00 -1.26 0.16 117.38 126.19 1jvr n GLN 3 Ca 0.02 1.41 0.14 0.00 -0.01 0.00 0.00 57.00 58.56 1jvr n GLN 3 Cb 0.43 -2.33 0.29 0.00 0.00 0.00 0.00 30.24 28.62 1jvr n GLN 3 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1jvr h ILE 4 N 0.00 0.10 -1.79 5.09 2.10 -2.08 -3.40 117.51 117.53 1jvr h ILE 4 Ca 0.66 -0.02 -0.39 0.00 1.08 0.00 0.00 64.86 66.20 1jvr h ILE 4 Cb 1.52 0.05 0.20 0.00 -1.09 0.00 0.00 36.82 37.50 1jvr h ILE 4 CO -0.86 0.01 -1.30 0.00 -1.08 0.00 0.00 178.15 174.92 1jvr n HIS 5 N -5.43 -1.58 0.00 2.19 1.44 0.42 -4.68 115.22 107.58 1jvr n HIS 5 Ca 0.22 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 56.21 1jvr n HIS 5 Cb 0.73 -1.46 0.00 0.00 0.12 0.00 0.00 29.99 29.38 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 2.58 0.98 0.25 -1.39 0.00 -1.26 -4.95 105.19 101.39 1jvr n GLY 6 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1jvr n GLY 6 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jvr h LEU 7 N 0.00 -1.22 -2.40 0.99 4.07 -1.96 -3.46 115.31 111.33 1jvr h LEU 7 Ca 0.00 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1jvr h LEU 7 Cb 0.00 0.53 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1jvr h LEU 7 CO 0.00 -0.16 -0.06 -1.20 -1.08 0.00 0.00 178.44 175.93 1jvr n SER 8 N -4.30 -7.42 0.03 -0.43 7.64 -1.26 -5.00 113.62 102.88 1jvr n SER 8 Ca 0.00 0.01 -0.02 0.00 1.01 0.00 0.00 58.87 59.88 1jvr n SER 8 Cb 0.17 -5.02 -0.01 0.00 -1.01 0.00 0.00 64.21 58.33 1jvr n SER 8 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jvr h PRO 9 N 0.61 -0.10 -0.84 1.43 0.13 -2.05 -3.35 132.00 127.84 1jvr h PRO 9 Ca 0.00 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.30 1jvr h PRO 9 Cb 0.99 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.99 1jvr h PRO 9 CO 0.27 -0.07 -0.26 1.15 -0.23 0.00 0.00 178.00 178.86 1jvr h THR 10 N -0.33 0.12 -3.93 1.56 2.02 -2.03 -3.39 112.91 106.93 1jvr h THR 10 Ca -0.01 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.68 1jvr h THR 10 Cb 0.08 0.12 0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1jvr h THR 10 CO 0.02 0.00 0.42 -2.16 0.37 0.00 0.00 175.52 174.17 1jvr s PRO 11 N -6.16 4.25 -0.51 6.66 0.04 -1.26 -5.01 135.00 133.01 1jvr s PRO 11 Ca -0.15 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 11 Cb 0.22 -2.66 0.23 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 11 CO 0.74 -0.08 0.58 0.44 0.04 0.00 0.00 177.00 178.73 1jvr n ILE 12 N 0.16 0.56 0.08 0.56 -5.35 -1.26 -4.87 119.36 109.23 1jvr n ILE 12 Ca 0.04 -4.46 -0.06 0.00 -0.27 0.00 0.00 62.75 58.00 1jvr n ILE 12 Cb 0.49 -2.00 -0.04 0.00 -1.74 0.00 0.00 39.64 36.36 1jvr n ILE 12 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1jvr h PRO 13 N 4.37 -0.29 -3.35 6.28 0.13 -1.95 -3.50 132.00 133.69 1jvr h PRO 13 Ca 0.15 0.02 0.36 0.00 -0.87 0.00 0.00 66.00 65.66 1jvr h PRO 13 Cb 0.79 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 31.84 1jvr h PRO 13 CO 0.61 -0.11 -0.89 1.17 -0.23 0.00 0.00 178.00 178.55 1jvr n LYS 14 N -4.97 -3.08 -2.57 0.86 3.00 -1.26 -4.99 118.16 105.15 1jvr n LYS 14 Ca -0.05 2.30 -0.01 0.00 -0.00 0.00 0.00 58.31 60.56 1jvr n LYS 14 Cb 0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 35.03 31.49 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jvr n ALA 15 N -3.31 -3.48 -1.00 3.14 0.00 -1.26 -5.03 120.51 109.57 1jvr n ALA 15 Ca -0.04 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1jvr n ALA 15 Cb 0.68 -1.45 0.00 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 0.78 0.00 -2.66 0.00 -0.04 -1.26 -5.00 135.00 126.82 1jvr n PRO 16 Ca -0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 1jvr n PRO 16 Cb 0.10 -0.15 0.02 0.00 -0.04 0.00 0.00 33.50 33.42 1jvr n PRO 16 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1jvr n ARG 17 N -0.02 0.22 -1.03 0.54 0.63 -1.26 -4.93 116.66 110.81 1jvr n ARG 17 Ca 0.00 -0.75 -0.01 0.00 -0.92 0.00 0.00 57.85 56.17 1jvr n ARG 17 Cb 0.00 -0.05 -0.00 0.00 0.45 0.00 0.00 32.46 32.86 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jvr n GLY 18 N -0.31 0.19 2.94 5.14 0.00 -1.26 -4.88 105.19 107.01 1jvr n GLY 18 Ca -0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1jvr n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jvr s LEU 19 N -0.21 -0.82 0.63 0.99 2.96 -1.26 -4.89 118.68 116.08 1jvr s LEU 19 Ca 0.00 -0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 53.17 1jvr s LEU 19 Cb 0.00 1.18 -0.01 0.00 0.50 0.00 0.00 46.19 47.86 1jvr s LEU 19 CO 0.00 -0.32 1.19 -0.55 -1.32 0.00 0.00 176.35 175.35 1jvr s SER 20 N 2.33 4.96 0.00 3.68 0.15 -1.26 -4.90 113.70 118.66 1jvr s SER 20 Ca 0.11 2.32 -0.21 0.00 0.70 0.00 0.00 55.95 58.87 1jvr s SER 20 Cb -0.12 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.49 1jvr s SER 20 CO -0.24 -1.74 0.98 0.74 1.20 0.00 0.00 173.24 174.17 1jvr h THR 21 N 0.49 0.00 -1.00 6.45 2.02 -2.01 -2.17 112.91 116.69 1jvr h THR 21 Ca -0.49 -0.29 0.38 0.00 0.77 0.00 0.00 66.41 66.78 1jvr h THR 21 Cb 1.29 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.53 1jvr h THR 21 CO 0.54 0.00 0.55 -0.74 0.37 0.00 0.00 175.52 176.23 1jvr h HIS 22 N -1.05 0.86 -0.30 3.16 -0.00 -1.97 2.11 115.15 117.96 1jvr h HIS 22 Ca -0.08 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 1jvr h HIS 22 Cb 0.58 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1jvr h HIS 22 CO 0.02 -0.35 0.13 0.45 -0.00 0.00 0.00 177.93 178.18 1jvr h HIS 23 N 0.13 0.45 -0.28 5.26 -0.00 -1.92 -0.60 115.15 118.20 1jvr h HIS 23 Ca 0.80 -0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 61.03 1jvr h HIS 23 Cb 2.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 29.27 1jvr h HIS 23 CO -0.01 0.43 -0.25 2.35 -0.00 0.00 0.00 177.93 180.45 1jvr h TRP 24 N 0.34 0.78 -0.88 2.45 2.91 0.28 -2.66 115.95 119.18 1jvr h TRP 24 Ca 0.10 -0.23 0.21 0.00 1.13 0.00 0.00 58.89 60.10 1jvr h TRP 24 Cb 0.16 -0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 1jvr h TRP 24 CO -0.01 0.95 0.59 1.25 -1.03 0.00 0.00 178.44 180.19 1jvr h LEU 25 N 0.39 0.31 -1.88 0.65 5.85 0.29 1.44 115.31 122.35 1jvr h LEU 25 Ca 0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1jvr h LEU 25 Cb 0.81 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1jvr h LEU 25 CO 0.06 0.12 -0.13 -1.13 -0.34 0.00 0.00 178.44 177.03 1jvr h ASN 26 N 0.31 0.00 0.33 1.25 -1.24 -0.74 0.71 115.58 116.19 1jvr h ASN 26 Ca 0.45 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.14 1jvr h ASN 26 Cb 1.26 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.27 1jvr h ASN 26 CO -0.14 0.13 -1.89 0.33 -1.29 0.00 0.00 177.43 174.58 1jvr n PHE 27 N -3.86 0.92 0.22 0.67 -0.00 0.46 -3.62 117.46 112.25 1jvr n PHE 27 Ca -0.02 0.29 0.12 0.00 -0.00 0.00 0.00 57.45 57.83 1jvr n PHE 27 Cb 0.23 -1.15 0.23 0.00 -0.00 0.00 0.00 39.48 38.79 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 0.02 0.00 0.38 -2.13 5.85 0.04 -2.90 115.31 116.56 1jvr h LEU 28 Ca -0.36 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1jvr h LEU 28 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1jvr h LEU 28 CO 0.07 0.06 -0.18 1.56 -0.34 0.00 0.00 178.44 179.60 1jvr h GLN 29 N 0.00 -0.49 -0.71 1.25 4.20 0.29 -2.06 115.11 117.58 1jvr h GLN 29 Ca -0.00 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.86 1jvr h GLN 29 Cb 0.97 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 1jvr h GLN 29 CO 0.01 -0.28 0.47 0.00 -0.67 0.00 0.00 178.83 178.36 1jvr h ALA 30 N -1.02 2.01 0.00 3.87 0.00 -1.65 1.12 119.26 123.59 1jvr h ALA 30 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jvr h ALA 30 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jvr h ALA 30 CO 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1jvr h ALA 31 N 1.65 1.00 0.00 0.00 0.00 -1.52 -1.85 119.26 118.54 1jvr h ALA 31 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jvr h ALA 31 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jvr h ALA 31 CO -0.11 0.00 -1.28 0.98 0.00 0.00 0.00 179.25 178.84 1jvr n TYR 32 N -2.54 0.25 0.09 0.00 9.36 0.36 -4.04 117.16 120.65 1jvr n TYR 32 Ca 0.02 0.07 0.11 0.00 3.32 0.00 0.00 57.90 61.43 1jvr n TYR 32 Cb 0.30 -0.47 -0.03 0.00 -0.63 0.00 0.00 39.34 38.51 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 -2.08 0.61 0.32 2.98 0.00 0.10 -4.24 116.66 114.35 1jvr n ARG 33 Ca 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 57.85 57.80 1jvr n ARG 33 Cb 0.47 -1.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.10 1jvr n ARG 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1jvr h LEU 34 N 0.00 -0.69 0.00 6.15 3.38 -1.50 -3.47 115.31 119.19 1jvr h LEU 34 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jvr h LEU 34 Cb 1.00 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1jvr h LEU 34 CO 0.00 -0.45 0.00 1.67 0.09 0.00 0.00 178.44 179.75 1jvr n GLN 35 N -4.40 0.00 -0.87 1.13 -0.06 -1.26 -5.04 117.38 106.88 1jvr n GLN 35 Ca -0.10 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.70 1jvr n GLN 35 Cb 0.32 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.43 1jvr n GLN 35 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1jvr n PRO 36 N 0.00 2.17 -0.23 3.69 -0.04 -1.26 -4.60 135.00 134.72 1jvr n PRO 36 Ca 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1jvr n PRO 36 Cb 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 3.18 6.76 0.00 0.55 0.00 -1.26 -5.00 105.19 109.41 1jvr n GLY 37 Ca 0.46 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 0.75 -0.65 1.61 -0.04 -1.26 -3.21 135.00 132.20 1jvr n PRO 38 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1jvr n PRO 38 Cb 0.00 -1.43 0.09 0.00 -0.04 0.00 0.00 33.50 32.12 1jvr n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr n SER 39 N -0.93 3.54 0.00 3.54 2.88 -1.26 -4.83 113.62 116.56 1jvr n SER 39 Ca 0.16 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 1jvr n SER 39 Cb 0.07 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1jvr n SER 39 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1jvr n ASP 40 N -0.32 0.00 0.00 -3.46 5.75 -1.20 -4.99 116.55 112.33 1jvr n ASP 40 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1jvr n ASP 40 Cb 1.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jvr n PHE 41 N -0.65 0.00 0.00 2.11 3.72 -1.26 -4.67 117.46 116.71 1jvr n PHE 41 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jvr n PHE 41 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1jvr n ASP 42 N 0.00 0.00 0.00 4.37 5.75 -1.26 -4.98 116.55 120.43 1jvr n ASP 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jvr n ASP 42 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jvr n ASP 42 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1jvr n PHE 43 N -0.64 0.00 -0.06 2.11 7.35 -1.26 -4.79 117.46 120.17 1jvr n PHE 43 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1jvr n PHE 43 Cb 0.00 -0.28 -0.08 0.00 0.35 0.00 0.00 39.48 39.47 1jvr n PHE 43 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1jvr h GLN 44 N 1.53 0.00 0.00 -4.13 3.07 -1.99 -2.49 115.11 111.09 1jvr h GLN 44 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1jvr h GLN 44 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1jvr h GLN 44 CO 0.00 0.63 0.00 1.04 0.09 0.00 0.00 178.83 180.59 1jvr n GLN 45 N -4.67 0.02 0.01 0.06 1.13 -1.26 -1.66 117.38 111.01 1jvr n GLN 45 Ca -0.07 0.39 -0.22 0.00 -1.94 0.00 0.00 57.00 55.17 1jvr n GLN 45 Cb 0.31 -1.56 -0.14 0.00 0.11 0.00 0.00 30.24 28.96 1jvr n GLN 45 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1jvr h LEU 46 N 0.00 0.41 -1.54 1.08 6.46 -1.94 -3.31 115.31 116.47 1jvr h LEU 46 Ca 0.00 -0.91 -0.05 0.00 -0.12 0.00 0.00 57.88 56.80 1jvr h LEU 46 Cb 0.14 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1jvr h LEU 46 CO 0.00 1.81 -0.22 -0.09 -0.62 0.00 0.00 178.44 179.31 1jvr h ARG 47 N -0.03 0.00 -0.32 1.25 1.12 -0.83 -2.71 114.38 112.85 1jvr h ARG 47 Ca -0.40 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.42 1jvr h ARG 47 Cb 1.97 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.92 1jvr h ARG 47 CO 0.08 0.22 0.00 -0.09 -3.11 0.00 0.00 179.97 177.07 1jvr h ARG 48 N 0.00 0.57 -0.49 0.20 9.65 -1.51 -0.55 114.38 122.26 1jvr h ARG 48 Ca -0.00 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.72 1jvr h ARG 48 Cb 0.52 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 1jvr h ARG 48 CO 0.03 0.70 0.32 0.35 2.80 0.00 0.00 179.97 184.17 1jvr h PHE 49 N 0.37 0.56 0.23 2.20 3.57 -1.57 0.32 116.94 122.63 1jvr h PHE 49 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1jvr h PHE 49 Cb 0.44 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1jvr h PHE 49 CO 0.04 0.34 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.28 1jvr h LEU 50 N 0.60 -0.26 -2.12 0.59 3.38 -1.38 -2.19 115.31 113.92 1jvr h LEU 50 Ca 0.19 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1jvr h LEU 50 Cb 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jvr h LEU 50 CO -0.05 0.24 0.23 0.11 0.09 0.00 0.00 178.44 179.07 1jvr h LYS 51 N -0.91 0.00 0.33 1.13 1.79 -0.81 -1.09 116.57 117.01 1jvr h LYS 51 Ca -0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1jvr h LYS 51 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1jvr h LYS 51 CO 0.05 0.00 -0.16 1.25 -1.08 0.00 0.00 179.45 179.51 1jvr h LEU 52 N 0.00 -0.38 -2.05 2.94 6.46 -0.27 -2.74 115.31 119.27 1jvr h LEU 52 Ca 0.12 -0.17 0.11 0.00 -0.12 0.00 0.00 57.88 57.83 1jvr h LEU 52 Cb 0.57 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1jvr h LEU 52 CO -0.00 0.00 0.32 0.00 -0.62 0.00 0.00 178.44 178.14 1jvr h ALA 53 N -0.31 2.23 0.00 1.25 0.00 -0.58 0.94 119.26 122.78 1jvr h ALA 53 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jvr h ALA 53 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jvr h ALA 53 CO 0.07 -0.52 0.00 -0.11 0.00 0.00 0.00 179.25 178.69 1jvr n LEU 54 N -4.14 0.30 0.00 0.00 7.94 -0.57 -0.60 117.00 119.93 1jvr n LEU 54 Ca 0.06 0.61 0.12 0.00 -1.11 0.00 0.00 56.01 55.70 1jvr n LEU 54 Cb 0.51 -0.61 0.68 0.00 0.53 0.00 0.00 43.42 44.52 1jvr n LEU 54 CO 0.33 -0.59 0.91 1.17 -1.11 0.00 0.00 177.39 178.09 1jvr n LYS 55 N -1.87 0.59 -3.32 1.96 3.00 0.32 -4.30 118.16 114.55 1jvr n LYS 55 Ca 0.01 0.03 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 1jvr n LYS 55 Cb 0.09 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.56 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1jvr s THR 56 N -2.24 -0.57 -1.11 3.15 -1.32 0.23 -5.05 115.64 108.72 1jvr s THR 56 Ca 0.31 -0.46 -0.16 0.00 -1.21 0.00 0.00 61.69 60.17 1jvr s THR 56 Cb 0.17 -0.82 -0.07 0.00 -1.51 0.00 0.00 72.50 70.27 1jvr s THR 56 CO 0.32 -0.35 2.14 -0.81 -2.21 0.00 0.00 174.62 173.71 1jvr n PRO 57 N 4.98 2.24 -0.00 7.08 -0.04 -1.26 -3.96 135.00 144.04 1jvr n PRO 57 Ca 0.04 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1jvr n PRO 57 Cb 0.49 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 30.94 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 5.28 0.02 0.00 0.52 0.13 -1.26 -4.43 119.36 119.62 1jvr n ILE 58 Ca 0.52 -0.02 0.03 0.00 -1.10 0.00 0.00 62.75 62.18 1jvr n ILE 58 Cb 0.36 0.04 -0.11 0.00 -0.84 0.00 0.00 39.64 39.09 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 -1.68 0.48 0.12 9.51 4.27 -1.25 -3.98 117.44 124.90 1jvr n TRP 59 Ca -0.00 0.15 -0.12 0.00 -3.89 0.00 0.00 57.50 53.63 1jvr n TRP 59 Cb 0.17 -0.87 -0.08 0.00 -1.36 0.00 0.00 31.31 29.17 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 -0.28 -0.44 5.67 4.07 -1.84 0.97 115.31 123.45 1jvr h LEU 60 Ca -0.17 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 57.60 1jvr h LEU 60 Cb 1.46 0.07 -0.08 0.00 1.08 0.00 0.00 40.66 43.19 1jvr h LEU 60 CO 0.02 0.15 -0.56 0.78 -1.08 0.00 0.00 178.44 177.75 1jvr h ASN 61 N -0.78 -1.88 0.80 -0.43 2.35 -1.77 0.57 115.58 114.44 1jvr h ASN 61 Ca -0.03 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1jvr h ASN 61 Cb 0.50 0.77 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1jvr h ASN 61 CO 0.06 -0.39 0.00 -0.81 -1.65 0.00 0.00 177.43 174.63 1jvr n PRO 62 N -5.35 0.03 -2.94 0.81 -0.04 -1.23 -4.96 135.00 121.31 1jvr n PRO 62 Ca -0.03 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1jvr n PRO 62 Cb 0.34 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.61 -1.76 -3.34 0.52 0.13 0.33 -4.99 119.36 108.64 1jvr n ILE 63 Ca 0.05 0.43 0.02 0.00 -1.10 0.00 0.00 62.75 62.15 1jvr n ILE 63 Cb 0.27 -2.71 -0.02 0.00 -0.84 0.00 0.00 39.64 36.34 1jvr n ILE 63 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jvr s ASP 64 N -0.85 -1.06 0.00 9.51 2.15 -1.01 -5.00 116.67 120.42 1jvr s ASP 64 Ca 0.00 0.99 0.06 0.00 0.43 0.00 0.00 52.55 54.03 1jvr s ASP 64 Cb 0.00 2.02 0.25 0.00 -0.30 0.00 0.00 42.92 44.88 1jvr s ASP 64 CO 0.00 -0.20 1.17 0.00 -0.17 0.00 0.00 175.17 175.97 1jvr n TYR 65 N 5.37 0.00 0.27 -5.34 4.19 -1.26 -1.52 117.16 118.87 1jvr n TYR 65 Ca -0.06 0.00 0.15 0.00 3.31 0.00 0.00 57.90 61.30 1jvr n TYR 65 Cb 0.51 -0.48 0.77 0.00 0.49 0.00 0.00 39.34 40.63 1jvr n TYR 65 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1jvr h SER 66 N 0.00 0.00 0.94 2.98 0.02 -1.96 -0.45 113.55 115.08 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 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1jvr h SER 66 CO 0.00 0.09 -0.79 0.25 -1.14 0.00 0.00 176.83 175.24 1jvr h LEU 67 N 0.00 0.00 0.53 5.07 6.46 -1.60 -3.33 115.31 122.44 1jvr h LEU 67 Ca -0.00 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1jvr h LEU 67 Cb 0.36 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1jvr h LEU 67 CO 0.01 0.06 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.57 1jvr h LEU 68 N 0.00 -0.60 -1.75 2.25 3.38 -1.19 -2.72 115.31 114.67 1jvr h LEU 68 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jvr h LEU 68 Cb 0.86 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1jvr h LEU 68 CO 0.00 -0.27 0.47 0.00 0.09 0.00 0.00 178.44 178.74 1jvr h ALA 69 N -1.34 1.70 -0.41 1.53 0.00 -1.68 0.76 119.26 119.82 1jvr h ALA 69 Ca -0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1jvr h ALA 69 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jvr h ALA 69 CO 0.12 -0.56 -0.32 1.03 0.00 0.00 0.00 179.25 179.52 1jvr h SER 70 N 0.00 0.99 -0.97 0.00 0.87 -1.60 -2.93 113.55 109.92 1jvr h SER 70 Ca 0.08 -0.44 0.05 0.00 -1.23 0.00 0.00 61.79 60.25 1jvr h SER 70 Cb 1.02 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 1jvr h SER 70 CO -0.00 1.23 0.63 -0.07 -0.53 0.00 0.00 176.83 178.08 1jvr h LEU 71 N 0.76 1.02 -8.96 2.23 4.07 0.80 -3.41 115.31 111.82 1jvr h LEU 71 Ca 0.07 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.37 1jvr h LEU 71 Cb 0.91 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1jvr h LEU 71 CO 0.08 0.67 1.18 -0.38 -1.08 0.00 0.00 178.44 178.91 1jvr n ILE 72 N -4.50 0.35 -0.66 1.22 5.41 -1.11 -4.77 119.36 115.31 1jvr n ILE 72 Ca 0.14 -0.16 -0.07 0.00 1.00 0.00 0.00 62.75 63.66 1jvr n ILE 72 Cb 0.14 -1.63 -0.10 0.00 -0.71 0.00 0.00 39.64 37.34 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 6.95 1.31 -1.85 0.38 -0.04 -1.26 -4.79 135.00 135.70 1jvr n PRO 73 Ca 0.31 -0.56 -0.03 0.00 -0.04 0.00 0.00 63.50 63.18 1jvr n PRO 73 Cb 0.23 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 2.37 -0.25 0.00 0.54 4.81 -1.26 -4.15 118.16 120.21 1jvr n LYS 74 Ca 0.24 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1jvr n LYS 74 Cb 0.61 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 35.12 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jvr n GLY 75 N 0.72 0.21 2.59 3.14 0.00 -1.26 -5.12 105.19 105.46 1jvr n GLY 75 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.05 -0.59 1.61 9.36 -1.26 -4.95 117.16 118.28 1jvr n TYR 76 Ca 0.00 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1jvr n TYR 76 Cb 0.00 -1.31 0.00 0.00 -0.63 0.00 0.00 39.34 37.40 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 1.52 -0.18 -0.24 2.98 -0.04 -1.26 -4.83 135.00 132.95 1jvr n PRO 77 Ca 0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1jvr n PRO 77 Cb 0.41 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.86 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 3.76 -0.69 1.66 0.55 0.00 -1.26 -4.01 105.19 105.20 1jvr n GLY 78 Ca 0.00 -0.59 0.06 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 -1.59 4.32 -0.09 1.61 1.74 -1.26 -4.50 116.66 116.89 1jvr n ARG 79 Ca 0.00 -3.09 -0.09 0.00 -0.77 0.00 0.00 57.85 53.90 1jvr n ARG 79 Cb 0.11 -2.17 -0.01 0.00 -1.02 0.00 0.00 32.46 29.37 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jvr h VAL 80 N 3.33 1.08 -0.47 1.55 2.07 -1.91 -1.63 116.25 120.28 1jvr h VAL 80 Ca 0.03 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 1jvr h VAL 80 Cb 1.89 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1jvr h VAL 80 CO 0.45 0.08 -0.20 0.58 0.02 0.00 0.00 177.57 178.50 1jvr h VAL 81 N 0.43 1.27 -0.28 2.57 2.07 -1.79 -0.14 116.25 120.39 1jvr h VAL 81 Ca 0.12 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.36 1jvr h VAL 81 Cb -0.05 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1jvr h VAL 81 CO -0.02 0.47 0.27 -0.08 0.02 0.00 0.00 177.57 178.23 1jvr h GLU 82 N 0.82 0.00 0.00 1.57 4.57 -1.70 1.98 114.58 121.82 1jvr h GLU 82 Ca 0.11 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.11 1jvr h GLU 82 Cb 0.76 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 1jvr h GLU 82 CO 0.06 0.00 -1.05 0.82 -1.18 0.00 0.00 179.01 177.66 1jvr h ILE 83 N 0.00 0.80 0.00 2.32 2.04 -0.74 -3.33 117.51 118.60 1jvr h ILE 83 Ca 0.13 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 1jvr h ILE 83 Cb 0.68 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1jvr h ILE 83 CO -0.00 0.27 -0.05 0.40 0.00 0.00 0.00 178.15 178.77 1jvr h ILE 84 N -1.00 0.52 -0.25 -0.67 2.04 -0.38 -0.07 117.51 117.71 1jvr h ILE 84 Ca -0.27 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1jvr h ILE 84 Cb 1.14 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1jvr h ILE 84 CO -0.16 0.05 -0.07 0.78 0.00 0.00 0.00 178.15 178.74 1jvr h ASN 85 N 0.00 0.37 -0.38 1.72 -0.26 0.30 -1.46 115.58 115.86 1jvr h ASN 85 Ca -0.00 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.63 1jvr h ASN 85 Cb 0.14 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1jvr h ASN 85 CO 0.01 0.49 0.14 0.40 -1.06 0.00 0.00 177.43 177.41 1jvr h ILE 86 N 0.37 1.18 -0.38 2.81 2.04 -1.11 0.31 117.51 122.73 1jvr h ILE 86 Ca 0.08 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 1jvr h ILE 86 Cb 0.37 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1jvr h ILE 86 CO 0.02 0.23 -0.11 -0.07 0.00 0.00 0.00 178.15 178.22 1jvr h LEU 87 N 0.63 0.75 0.04 1.44 3.38 -1.30 0.43 115.31 120.68 1jvr h LEU 87 Ca 0.15 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1jvr h LEU 87 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jvr h LEU 87 CO -0.01 0.95 -0.02 0.58 0.09 0.00 0.00 178.44 180.03 1jvr h VAL 88 N 0.55 1.16 0.00 1.22 2.07 -0.87 0.37 116.25 120.74 1jvr h VAL 88 Ca 0.09 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jvr h VAL 88 Cb 0.63 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1jvr h VAL 88 CO 0.04 0.16 0.00 0.50 0.02 0.00 0.00 177.57 178.29 1jvr h LYS 89 N -0.32 0.00 0.00 1.57 1.63 -0.37 0.61 116.57 119.69 1jvr h LYS 89 Ca -0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1jvr h LYS 89 Cb 0.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1jvr h LYS 89 CO 0.01 0.00 -0.04 -0.97 -3.45 0.00 0.00 179.45 175.00 1jvr h ASN 90 N 0.00 0.00 0.20 4.20 -1.24 0.52 -3.38 115.58 115.88 1jvr h ASN 90 Ca 0.00 -0.43 -0.01 0.00 0.71 0.00 0.00 56.30 56.57 1jvr h ASN 90 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1jvr h ASN 90 CO 0.00 0.74 -0.09 0.06 -1.29 0.00 0.00 177.43 176.84 1jvr h GLN 91 N -1.00 -0.26 -1.26 6.67 3.07 -0.08 -3.46 115.11 118.79 1jvr h GLN 91 Ca -0.01 0.02 -0.30 0.00 0.09 0.00 0.00 58.65 58.45 1jvr h GLN 91 Cb 0.46 0.06 -0.12 0.00 0.08 0.00 0.00 27.48 27.96 1jvr h GLN 91 CO -0.00 0.09 -0.27 1.33 0.09 0.00 0.00 178.83 180.06 1jvr n VAL 92 N -5.04 0.00 -1.22 1.86 0.24 0.21 -4.84 118.33 109.54 1jvr n VAL 92 Ca -0.09 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.83 1jvr n VAL 92 Cb 0.24 -1.42 0.01 0.00 -1.47 0.00 0.00 33.84 31.21 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1jvr n SER 93 N -0.69 -3.62 -4.80 -1.34 7.64 -1.26 -4.88 113.62 104.68 1jvr n SER 93 Ca -0.15 0.64 -0.34 0.00 1.01 0.00 0.00 58.87 60.03 1jvr n SER 93 Cb 0.49 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.00 3.77 -0.08 1.43 0.04 -1.26 -5.06 135.00 132.85 1jvr s PRO 94 Ca 0.55 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1jvr s PRO 94 Cb -0.48 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 1jvr s PRO 94 CO 0.65 -0.45 -0.20 -1.54 0.04 0.00 0.00 177.00 175.50 1jvr s SER 95 N -2.05 3.51 0.00 6.66 1.04 -1.26 -4.81 113.70 116.78 1jvr s SER 95 Ca 0.67 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1jvr s SER 95 Cb -0.16 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1jvr s SER 95 CO 0.21 0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.66 1jvr n ALA 96 N 3.07 0.00 -1.32 5.32 0.00 -1.26 -5.03 120.51 121.29 1jvr n ALA 96 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 1jvr n ALA 96 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 2.28 -2.20 0.00 -0.04 -1.26 -4.92 135.00 128.86 1jvr n PRO 97 Ca 0.00 -2.10 -0.31 0.00 -0.04 0.00 0.00 63.50 61.05 1jvr n PRO 97 Cb 0.00 -2.98 -0.01 0.00 -0.04 0.00 0.00 33.50 30.47 1jvr n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jvr s ALA 98 N 3.87 3.15 0.00 0.55 0.00 -1.26 -4.79 121.76 123.28 1jvr s ALA 98 Ca 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1jvr s ALA 98 Cb 0.14 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1jvr s ALA 98 CO 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 175.76 175.31 1jvr n ALA 99 N -2.22 0.00 -1.00 0.00 0.00 -1.26 -5.05 120.51 110.98 1jvr n ALA 99 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1jvr n ALA 99 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1jvr n ALA 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 100 N 0.00 0.00 -2.68 0.00 -0.04 -1.26 -4.86 135.00 126.16 1jvr n PRO 100 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1jvr n PRO 100 Cb 0.00 -0.32 0.09 0.00 -0.04 0.00 0.00 33.50 33.23 1jvr n PRO 100 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1jvr n VAL 101 N -0.20 0.00 0.14 0.52 3.14 -1.26 -4.80 118.33 115.86 1jvr n VAL 101 Ca 0.00 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.58 1jvr n VAL 101 Cb 0.00 1.15 0.14 0.00 -1.06 0.00 0.00 33.84 34.07 1jvr n VAL 101 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1jvr h PRO 102 N 2.76 0.00 0.00 1.45 0.13 -1.93 -3.46 132.00 130.95 1jvr h PRO 102 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1jvr h PRO 102 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jvr h PRO 102 CO -0.03 0.60 0.00 2.41 -0.23 0.00 0.00 178.00 180.75 1jvr n THR 103 N -3.54 0.00 -2.31 1.56 -1.04 -1.26 -5.07 114.28 102.62 1jvr n THR 103 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1jvr n THR 103 Cb 0.67 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1jvr n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 104 N 0.00 2.92 -0.15 -2.82 0.04 -1.26 -4.93 135.00 128.81 1jvr s PRO 104 Ca 0.00 0.15 -0.41 0.00 0.04 0.00 0.00 61.00 60.77 1jvr s PRO 104 Cb 0.00 -4.30 -0.19 0.00 0.04 0.00 0.00 34.50 30.05 1jvr s PRO 104 CO 0.00 -2.44 1.31 -0.89 0.04 0.00 0.00 177.00 175.03 1jvr n ILE 105 N 6.79 0.03 -1.33 0.56 2.08 -1.26 -4.77 119.36 121.46 1jvr n ILE 105 Ca 0.12 -0.00 -0.39 0.00 0.56 0.00 0.00 62.75 63.03 1jvr n ILE 105 Cb 0.50 -0.36 0.02 0.00 -0.75 0.00 0.00 39.64 39.05 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jvr h PRO 107 N 0.13 -0.30 0.00 0.00 0.13 -1.98 -3.40 132.00 126.59 1jvr h PRO 107 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1jvr h PRO 107 Cb 1.43 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1jvr h PRO 107 CO 0.44 -0.20 0.00 -2.37 -0.23 0.00 0.00 178.00 175.65 1jvr n THR 108 N -4.70 0.00 -3.21 1.56 5.66 -1.26 -4.85 114.28 107.48 1jvr n THR 108 Ca -0.04 0.70 -0.31 0.00 -3.05 0.00 0.00 64.05 61.35 1jvr n THR 108 Cb 0.12 -1.29 0.03 0.00 -1.55 0.00 0.00 70.33 67.65 1jvr n THR 108 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jvr n THR 109 N -0.37 -3.22 -1.52 1.09 5.66 -1.26 -4.55 114.28 110.10 1jvr n THR 109 Ca 0.00 0.11 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1jvr n THR 109 Cb 0.00 -3.07 0.00 0.00 -1.55 0.00 0.00 70.33 65.71 1jvr n THR 109 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1jvr n THR 110 N 0.01 -3.53 -1.54 1.09 -1.04 -1.26 -4.95 114.28 103.07 1jvr n THR 110 Ca -0.07 1.69 -0.29 0.00 -2.04 0.00 0.00 64.05 63.34 1jvr n THR 110 Cb 0.60 -2.61 0.15 0.00 -1.82 0.00 0.00 70.33 66.65 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 111 N -4.88 0.86 0.91 -2.82 0.04 -1.26 -5.06 135.00 122.79 1jvr s PRO 111 Ca 0.00 0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.09 1jvr s PRO 111 Cb 0.00 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.86 1jvr s PRO 111 CO 0.00 -2.37 1.14 -1.25 0.04 0.00 0.00 177.00 174.56 1jvr s PRO 112 N -5.36 1.15 -0.33 0.56 0.04 -1.26 -4.97 135.00 124.83 1jvr s PRO 112 Ca 0.66 0.29 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 1jvr s PRO 112 Cb -0.13 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1jvr s PRO 112 CO 0.53 -2.19 1.36 -1.25 0.04 0.00 0.00 177.00 175.49 1jvr s PRO 113 N -5.28 3.80 0.62 0.56 0.04 -1.26 -5.01 135.00 128.47 1jvr s PRO 113 Ca 0.64 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1jvr s PRO 113 Cb -0.15 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 1jvr s PRO 113 CO 0.53 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 176.10 1jvr s PRO 114 N 4.44 3.27 -0.33 0.56 0.04 -1.26 -4.98 135.00 136.74 1jvr s PRO 114 Ca 0.59 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1jvr s PRO 114 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1jvr s PRO 114 CO 0.26 -0.84 1.37 -1.25 0.04 0.00 0.00 177.00 176.58 1jvr s PRO 115 N -4.36 3.80 0.59 0.56 0.04 -1.26 -5.01 135.00 129.36 1jvr s PRO 115 Ca 0.61 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1jvr s PRO 115 Cb -0.15 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1jvr s PRO 115 CO 0.42 -1.28 1.05 -1.25 0.04 0.00 0.00 177.00 175.98 1jvr s PRO 116 N 4.45 3.37 1.04 0.56 0.04 -1.26 -5.06 135.00 138.14 1jvr s PRO 116 Ca 0.59 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 1jvr s PRO 116 Cb -0.16 -2.04 0.25 0.00 0.04 0.00 0.00 34.50 32.58 1jvr s PRO 116 CO 0.27 -0.77 1.14 -0.35 0.04 0.00 0.00 177.00 177.33 1jvr n PRO 117 N -2.05 -2.13 0.00 0.56 -0.04 -1.26 -4.92 135.00 125.16 1jvr n PRO 117 Ca 0.08 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1jvr n PRO 117 Cb 0.53 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1jvr n PRO 117 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jvr n SER 118 N -4.29 0.00 -0.02 3.54 7.64 -1.26 -4.98 113.62 114.26 1jvr n SER 118 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.87 1jvr n SER 118 Cb 0.55 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 1jvr n SER 118 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jvr h PRO 119 N 0.00 0.27 0.00 1.43 0.13 -2.02 -3.49 132.00 128.33 1jvr h PRO 119 Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jvr h PRO 119 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1jvr h PRO 119 CO 0.00 0.94 0.00 -0.85 -0.23 0.00 0.00 178.00 177.86 1jvr n GLU 120 N -4.43 0.00 0.00 0.86 0.28 -1.26 -4.66 120.64 111.43 1jvr n GLU 120 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1jvr n GLU 120 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jvr n ALA 121 N 0.66 0.00 -2.65 -1.84 0.00 -1.26 -3.00 120.51 112.42 1jvr n ALA 121 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1jvr n ALA 121 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1jvr n ALA 121 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jvr n HIS 122 N 0.00 -0.39 -3.69 0.00 1.44 -1.26 -5.02 115.22 106.30 1jvr n HIS 122 Ca 0.00 -0.70 -0.28 0.00 -2.01 0.00 0.00 57.72 54.73 1jvr n HIS 122 Cb 0.00 1.16 0.01 0.00 0.12 0.00 0.00 29.99 31.28 1jvr n HIS 122 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1jvr n VAL 123 N -0.50 -3.73 -1.98 0.61 0.31 -1.16 -4.89 118.33 106.98 1jvr n VAL 123 Ca -0.26 0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.76 1jvr n VAL 123 Cb 0.64 -3.24 0.01 0.00 -0.91 0.00 0.00 33.84 30.35 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jvr s PRO 124 N -4.19 3.30 0.71 5.55 0.04 -1.26 -5.04 135.00 134.11 1jvr s PRO 124 Ca 0.11 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1jvr s PRO 124 Cb -0.01 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1jvr s PRO 124 CO 0.89 -0.82 1.07 -1.25 0.04 0.00 0.00 177.00 176.93 1jvr s PRO 125 N -4.30 2.81 0.76 0.56 0.04 -1.26 -5.04 135.00 128.56 1jvr s PRO 125 Ca 0.62 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1jvr s PRO 125 Cb -0.15 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1jvr s PRO 125 CO 0.40 -1.18 1.08 -1.25 0.04 0.00 0.00 177.00 176.10 1jvr s PRO 126 N -5.06 2.41 -0.70 0.56 0.04 -1.26 -5.01 135.00 125.97 1jvr s PRO 126 Ca 0.58 0.76 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1jvr s PRO 126 Cb -0.14 -1.95 0.27 0.00 0.04 0.00 0.00 34.50 32.72 1jvr s PRO 126 CO 0.55 -1.42 0.89 0.66 0.04 0.00 0.00 177.00 177.72 1jvr n TYR 127 N -3.32 3.48 -2.91 0.56 4.01 -1.26 -4.84 117.16 112.89 1jvr n TYR 127 Ca 0.07 -3.89 -0.20 0.00 -0.16 0.00 0.00 57.90 53.73 1jvr n TYR 127 Cb 0.55 -0.66 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 1jvr n TYR 127 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1jvr n VAL 128 N 0.79 1.26 -3.65 -0.72 3.14 -1.26 -5.06 118.33 112.84 1jvr n VAL 128 Ca 0.30 -4.55 -0.02 0.00 -2.96 0.00 0.00 64.34 57.12 1jvr n VAL 128 Cb 0.39 -0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 32.66 1jvr n VAL 128 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1jvr s GLU 129 N -3.00 0.03 -0.08 1.45 -1.05 -1.26 -5.07 118.70 109.73 1jvr s GLU 129 Ca 0.40 0.00 -0.23 0.00 -0.15 0.00 0.00 54.97 55.00 1jvr s GLU 129 Cb 0.36 0.02 -0.19 0.00 -0.44 0.00 0.00 34.13 33.88 1jvr s GLU 129 CO -0.08 -0.01 0.86 -1.00 0.95 0.00 0.00 175.26 175.98 1jvr h PRO 130 N 2.03 -0.08 0.00 -4.83 0.13 -2.01 -3.47 132.00 123.77 1jvr h PRO 130 Ca -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1jvr h PRO 130 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jvr h PRO 130 CO 0.21 0.53 0.00 0.25 -0.23 0.00 0.00 178.00 178.76 1jvr n THR 131 N -4.79 0.00 -1.66 1.56 -2.24 -1.26 -5.08 114.28 100.82 1jvr n THR 131 Ca -0.08 0.00 -0.65 0.00 -2.27 0.00 0.00 64.05 61.05 1jvr n THR 131 Cb 0.31 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1jvr n THR 131 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jvr n THR 132 N -3.15 0.04 -0.08 4.28 5.66 -1.26 -4.81 114.28 114.96 1jvr n THR 132 Ca 0.00 -0.01 -0.06 0.00 -3.05 0.00 0.00 64.05 60.92 1jvr n THR 132 Cb 0.00 -0.60 -0.14 0.00 -1.55 0.00 0.00 70.33 68.04 1jvr n THR 132 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jvr n THR 133 N 4.54 1.08 -4.38 1.09 5.66 -1.26 -4.85 114.28 116.16 1jvr n THR 133 Ca 0.35 -0.72 -0.21 0.00 -3.05 0.00 0.00 64.05 60.42 1jvr n THR 133 Cb -0.03 -0.45 -0.10 0.00 -1.55 0.00 0.00 70.33 68.20 1jvr n THR 133 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1jvr s GLN 134 N -2.55 1.43 -0.11 1.09 1.11 -1.26 -5.15 119.66 114.21 1jvr s GLN 134 Ca -0.09 -1.61 -0.16 0.00 0.01 0.00 0.00 55.36 53.51 1jvr s GLN 134 Cb 0.06 -1.36 0.04 0.00 -1.01 0.00 0.00 33.01 30.74 1jvr s GLN 134 CO 0.75 0.25 0.41 0.00 0.01 0.00 0.00 175.29 176.70