#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvi s MET 1 N 0.00 4.35 -0.22 4.33 1.00 0.63 -4.90 119.30 124.49 3jvi s MET 1 Ca 0.00 1.24 -0.05 0.00 0.00 0.00 0.00 55.69 56.87 3jvi s MET 1 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 34.83 31.24 3jvi s MET 1 CO 0.00 -0.36 0.00 0.15 0.00 0.00 0.00 175.02 174.81 3jvi s LYS 2 N 2.22 3.56 -0.15 2.03 1.02 -1.26 -1.28 119.74 125.88 3jvi s LYS 2 Ca 0.44 -0.54 -0.00 0.00 0.02 0.00 0.00 55.97 55.89 3jvi s LYS 2 Cb -0.17 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3jvi s LYS 2 CO 0.14 -0.09 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.84 3jvi s LEU 3 N 1.27 2.60 -0.13 3.17 1.43 -0.14 -0.64 118.68 126.24 3jvi s LEU 3 Ca 0.04 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3jvi s LEU 3 Cb -0.15 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3jvi s LEU 3 CO 0.01 0.11 -0.11 -0.22 0.23 0.00 0.00 176.35 176.36 3jvi s LEU 4 N 0.69 2.82 -0.17 1.79 2.96 -0.69 -1.30 118.68 124.77 3jvi s LEU 4 Ca -0.07 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3jvi s LEU 4 Cb -0.15 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3jvi s LEU 4 CO 0.02 0.17 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.84 3jvi s PHE 5 N 0.35 3.05 -0.03 5.38 0.08 -0.30 -0.18 117.98 126.33 3jvi s PHE 5 Ca -0.10 -0.31 0.04 0.00 0.12 0.00 0.00 56.93 56.69 3jvi s PHE 5 Cb -0.16 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3jvi s PHE 5 CO 0.05 -0.08 -0.15 0.08 -0.10 0.00 0.00 175.22 175.03 3jvi s VAL 6 N 0.55 1.22 0.00 -0.44 1.01 0.86 -2.06 120.40 121.54 3jvi s VAL 6 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3jvi s VAL 6 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3jvi s VAL 6 CO 0.02 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.48 3jvi h LEU 8 N 0.00 -0.13 0.00 0.00 5.85 -1.94 0.25 115.31 119.34 3jvi h LEU 8 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jvi h LEU 8 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3jvi h LEU 8 CO 0.00 0.18 -1.03 0.61 -0.34 0.00 0.00 178.44 177.86 3jvi n GLY 9 N 1.29 -1.19 3.71 3.75 0.00 -1.26 -0.72 105.19 110.76 3jvi n GLY 9 Ca -0.02 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3jvi n GLY 9 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jvi n ASN 10 N -1.93 -2.37 0.00 1.61 5.15 -1.26 -4.64 115.26 111.81 3jvi n ASN 10 Ca 0.02 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 3jvi n ASN 10 Cb 0.43 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.47 3jvi n ASN 10 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3jvi n ILE 11 N -4.39 0.00 0.00 -1.44 -5.35 -1.26 -4.16 119.36 102.75 3jvi n ILE 11 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3jvi n ILE 11 Cb 0.64 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3jvi n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jvi h ARG 13 N 0.00 -0.09 -0.81 0.00 3.08 -1.97 -2.72 114.38 111.88 3jvi h ARG 13 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3jvi h ARG 13 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3jvi h ARG 13 CO 0.00 0.15 0.38 0.66 -1.07 0.00 0.00 179.97 180.10 3jvi h SER 14 N -0.33 1.05 -0.38 7.04 4.64 -1.89 0.18 113.55 123.86 3jvi h SER 14 Ca -0.01 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 3jvi h SER 14 Cb 0.28 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3jvi h SER 14 CO 0.02 0.89 -0.03 -0.65 -0.87 0.00 0.00 176.83 176.18 3jvi h PRO 15 N 1.15 0.79 -0.62 4.77 0.11 -1.85 -2.00 132.00 134.34 3jvi h PRO 15 Ca 0.28 -0.23 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3jvi h PRO 15 Cb 0.12 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 3jvi h PRO 15 CO -0.03 0.82 0.33 0.00 -0.21 0.00 0.00 178.00 178.90 3jvi h ALA 16 N 1.23 0.79 -0.55 -0.75 0.00 -1.12 -1.91 119.26 116.96 3jvi h ALA 16 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jvi h ALA 16 Cb 0.49 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3jvi h ALA 16 CO 0.02 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.88 3jvi h ALA 17 N 1.15 0.70 -0.40 0.00 0.00 -0.72 0.13 119.26 120.12 3jvi h ALA 17 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3jvi h ALA 17 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3jvi h ALA 17 CO -0.03 0.24 0.20 1.49 0.00 0.00 0.00 179.25 181.15 3jvi h GLU 18 N 0.73 0.40 -0.39 0.00 4.81 -1.27 0.09 114.58 118.95 3jvi h GLU 18 Ca 0.19 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3jvi h GLU 18 Cb 0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3jvi h GLU 18 CO -0.03 0.26 0.13 0.00 -0.73 0.00 0.00 179.01 178.65 3jvi h ALA 19 N 1.21 0.51 -0.20 2.92 0.00 -0.89 -0.95 119.26 121.85 3jvi h ALA 19 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3jvi h ALA 19 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3jvi h ALA 19 CO -0.11 0.14 0.08 0.28 0.00 0.00 0.00 179.25 179.63 3jvi h VAL 20 N 0.48 1.16 -0.87 0.00 2.07 -0.67 -2.61 116.25 115.81 3jvi h VAL 20 Ca 0.13 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3jvi h VAL 20 Cb 0.23 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3jvi h VAL 20 CO -0.01 0.16 0.57 -0.03 0.02 0.00 0.00 177.57 178.28 3jvi h MET 21 N 0.18 1.15 -0.29 1.57 -1.53 -0.90 -0.63 114.93 114.48 3jvi h MET 21 Ca 0.07 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 3jvi h MET 21 Cb 0.17 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 30.94 3jvi h MET 21 CO -0.01 0.76 0.14 -0.22 0.14 0.00 0.00 176.91 177.73 3jvi h LYS 22 N 1.18 0.29 -0.65 0.39 3.64 -1.10 -0.69 116.57 119.63 3jvi h LYS 22 Ca 0.32 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3jvi h LYS 22 Cb -0.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3jvi h LYS 22 CO -0.07 0.19 0.07 -0.22 -2.27 0.00 0.00 179.45 177.15 3jvi h LYS 23 N 0.29 1.09 0.02 1.90 1.63 -1.04 -1.31 116.57 119.16 3jvi h LYS 23 Ca 0.12 -0.31 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 3jvi h LYS 23 Cb 0.04 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3jvi h LYS 23 CO -0.09 1.02 -0.01 0.28 -3.45 0.00 0.00 179.45 177.20 3jvi h VAL 24 N 1.01 1.07 -0.67 2.00 2.07 -0.80 0.73 116.25 121.66 3jvi h VAL 24 Ca 0.19 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.54 3jvi h VAL 24 Cb 0.49 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 3jvi h VAL 24 CO 0.02 0.08 0.21 0.40 0.02 0.00 0.00 177.57 178.29 3jvi h ILE 25 N -0.16 0.64 0.04 4.57 2.04 -1.04 -2.02 117.51 121.58 3jvi h ILE 25 Ca -0.00 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3jvi h ILE 25 Cb 0.15 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3jvi h ILE 25 CO 0.01 0.06 -0.07 -0.61 0.00 0.00 0.00 178.15 177.53 3jvi h GLN 26 N 0.34 -0.15 -0.75 2.37 4.15 -0.76 -0.84 115.11 119.48 3jvi h GLN 26 Ca 0.36 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.98 3jvi h GLN 26 Cb 0.54 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3jvi h GLN 26 CO -0.41 -0.10 0.52 -0.91 -1.93 0.00 0.00 178.83 176.00 3jvi h ASN 27 N -0.15 0.18 -0.22 -0.69 4.21 -0.52 -0.60 115.58 117.78 3jvi h ASN 27 Ca 0.02 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.54 3jvi h ASN 27 Cb 0.16 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3jvi h ASN 27 CO -0.05 0.08 0.00 1.41 -1.29 0.00 0.00 177.43 177.59 3jvi n HIS 28 N -4.40 0.29 -3.84 1.19 8.25 -0.79 -4.94 115.22 110.96 3jvi n HIS 28 Ca 0.15 -0.14 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 3jvi n HIS 28 Cb 0.69 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.82 3jvi n HIS 28 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3jvi n HIS 29 N 0.44 -2.09 -0.73 4.41 8.25 -0.23 -4.90 115.22 120.37 3jvi n HIS 29 Ca 0.16 0.87 0.07 0.00 -0.26 0.00 0.00 57.72 58.55 3jvi n HIS 29 Cb 0.34 -4.10 0.10 0.00 1.12 0.00 0.00 29.99 27.45 3jvi n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3jvi n LEU 30 N -4.50 2.31 -0.01 2.41 4.77 -0.38 -4.82 117.00 116.79 3jvi n LEU 30 Ca -0.12 -2.74 0.03 0.00 -0.03 0.00 0.00 56.01 53.16 3jvi n LEU 30 Cb 0.60 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 41.78 3jvi n LEU 30 CO 0.73 0.65 1.12 0.74 -1.33 0.00 0.00 177.39 179.30 3jvi h THR 31 N 0.10 1.12 -0.14 -5.08 2.02 -1.87 -1.38 112.91 107.68 3jvi h THR 31 Ca 0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3jvi h THR 31 Cb 0.86 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3jvi h THR 31 CO 0.01 0.13 0.07 -0.33 0.37 0.00 0.00 175.52 175.77 3jvi h GLU 32 N 0.56 0.19 0.00 6.66 5.08 -1.96 -3.02 114.58 122.09 3jvi h GLU 32 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3jvi h GLU 32 Cb 0.01 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3jvi h GLU 32 CO -0.03 0.15 -0.85 1.63 -1.00 0.00 0.00 179.01 178.91 3jvi n LYS 33 N -4.49 0.26 -4.39 2.33 5.02 -0.53 -4.88 118.16 111.48 3jvi n LYS 33 Ca -0.01 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 3jvi n LYS 33 Cb 0.10 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.35 3jvi n LYS 33 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3jvi s TYR 34 N -3.17 0.85 -0.02 2.13 2.02 -1.12 -0.27 117.35 117.77 3jvi s TYR 34 Ca 0.05 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 3jvi s TYR 34 Cb 0.14 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 3jvi s TYR 34 CO 0.77 -0.02 -0.13 -1.50 -1.57 0.00 0.00 175.55 173.09 3jvi s ILE 35 N -0.17 1.05 0.10 2.71 -1.16 -0.41 -4.80 121.20 118.52 3jvi s ILE 35 Ca 0.03 -0.54 0.10 0.00 -0.51 0.00 0.00 60.65 59.73 3jvi s ILE 35 Cb -0.04 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 42.10 3jvi s ILE 35 CO -0.00 0.31 -0.25 0.00 -2.81 0.00 0.00 174.94 172.18 3jvi s ASP 37 N -1.81 -0.08 0.05 0.00 2.15 -0.42 -4.96 116.67 111.61 3jvi s ASP 37 Ca 0.14 -0.87 -0.04 0.00 0.43 0.00 0.00 52.55 52.21 3jvi s ASP 37 Cb -0.10 0.55 -0.02 0.00 -0.30 0.00 0.00 42.92 43.04 3jvi s ASP 37 CO 0.05 -1.07 0.05 -0.94 -0.17 0.00 0.00 175.17 173.09 3jvi s SER 38 N -2.99 0.32 0.24 -0.34 1.04 -1.26 -1.15 113.70 109.56 3jvi s SER 38 Ca 0.20 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.63 3jvi s SER 38 Cb 0.00 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.39 3jvi s SER 38 CO 0.06 -0.59 0.69 0.00 0.98 0.00 0.00 173.24 174.38 3jvi s ALA 39 N -3.45 -1.35 0.11 5.32 0.00 -0.88 -4.67 121.76 116.85 3jvi s ALA 39 Ca 0.02 -0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.03 3jvi s ALA 39 Cb 0.04 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3jvi s ALA 39 CO -0.08 -0.96 -0.25 0.20 0.00 0.00 0.00 175.76 174.66 3jvi s GLY 40 N -2.87 1.45 0.52 0.00 0.00 0.17 -2.82 107.32 103.77 3jvi s GLY 40 Ca 0.08 -1.37 0.33 0.00 0.00 0.00 0.00 44.72 43.76 3jvi s GLY 40 CO 0.01 -1.33 1.98 -0.91 0.00 0.00 0.00 173.10 172.84 3jvi h THR 41 N 4.01 0.00 -3.36 0.90 1.35 -0.50 0.20 112.91 115.50 3jvi h THR 41 Ca -0.49 -0.42 -0.65 0.00 -0.55 0.00 0.00 66.41 64.30 3jvi h THR 41 Cb 1.17 1.38 -0.21 0.00 -1.73 0.00 0.00 68.15 68.75 3jvi h THR 41 CO 0.40 0.00 -0.68 0.00 -0.25 0.00 0.00 175.52 174.99 3jvi n SER 43 N 3.24 0.14 -0.18 0.00 7.64 -1.26 -4.40 113.62 118.80 3jvi n SER 43 Ca -0.18 -0.66 -0.01 0.00 1.01 0.00 0.00 58.87 59.03 3jvi n SER 43 Cb 0.53 -0.11 0.09 0.00 -1.01 0.00 0.00 64.21 63.70 3jvi n SER 43 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3jvi h TYR 44 N 0.20 0.25 -0.40 1.43 -1.99 -1.93 -2.54 116.97 112.00 3jvi h TYR 44 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3jvi h TYR 44 Cb 0.18 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.88 3jvi h TYR 44 CO 0.00 0.03 0.00 0.72 -0.00 0.00 0.00 178.16 178.91 3jvi n HIS 45 N -5.07 0.54 -1.69 4.88 -0.00 -1.26 -4.99 115.22 107.62 3jvi n HIS 45 Ca 0.07 -0.27 -0.43 0.00 -0.00 0.00 0.00 57.72 57.09 3jvi n HIS 45 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.25 3jvi n HIS 45 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3jvi n GLU 46 N 0.70 2.07 0.00 -0.41 -0.58 -0.96 -2.76 120.64 118.70 3jvi n GLU 46 Ca 0.14 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 3jvi n GLU 46 Cb 0.35 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 28.91 3jvi n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jvi n GLY 47 N 1.00 3.39 3.78 0.62 0.00 -0.23 -4.99 105.19 108.76 3jvi n GLY 47 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3jvi n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jvi s GLN 48 N -0.77 3.99 0.75 1.61 -0.21 -1.11 -4.50 119.66 119.41 3jvi s GLN 48 Ca 0.00 1.65 -0.14 0.00 0.02 0.00 0.00 55.36 56.89 3jvi s GLN 48 Cb 0.00 -2.50 0.05 0.00 1.00 0.00 0.00 33.01 31.56 3jvi s GLN 48 CO 0.00 -0.32 1.20 -0.65 -2.12 0.00 0.00 175.29 173.40 3jvi s GLN 49 N -2.55 2.03 0.76 2.91 -0.21 -1.26 -0.69 119.66 120.64 3jvi s GLN 49 Ca 0.60 1.74 -0.13 0.00 0.02 0.00 0.00 55.36 57.59 3jvi s GLN 49 Cb -0.25 -1.82 0.06 0.00 1.00 0.00 0.00 33.01 31.99 3jvi s GLN 49 CO 0.32 -1.92 1.14 0.00 -2.12 0.00 0.00 175.29 172.71 3jvi s ALA 50 N -2.05 2.11 -0.03 6.09 0.00 -1.16 -4.84 121.76 121.88 3jvi s ALA 50 Ca 0.74 0.58 -0.38 0.00 0.00 0.00 0.00 51.96 52.89 3jvi s ALA 50 Cb -0.29 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.29 3jvi s ALA 50 CO 0.47 -1.87 1.42 -3.47 0.00 0.00 0.00 175.76 172.30 3jvi n ASP 51 N -3.15 1.63 -0.31 0.00 2.03 0.91 -4.80 116.55 112.87 3jvi n ASP 51 Ca 0.11 1.12 0.07 0.00 0.52 0.00 0.00 54.79 56.61 3jvi n ASP 51 Cb 0.52 -1.14 0.28 0.00 -0.72 0.00 0.00 41.12 40.06 3jvi n ASP 51 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3jvi h SER 52 N 5.03 0.84 -0.17 1.67 4.64 -1.91 -0.45 113.55 123.20 3jvi h SER 52 Ca -0.48 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.71 3jvi h SER 52 Cb 1.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3jvi h SER 52 CO 0.81 0.48 -0.54 -0.09 -0.87 0.00 0.00 176.83 176.63 3jvi h ARG 53 N 0.92 0.66 -0.75 4.77 9.65 -1.99 -2.44 114.38 125.20 3jvi h ARG 53 Ca 0.44 -0.49 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3jvi h ARG 53 Cb 0.44 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.06 3jvi h ARG 53 CO -0.20 1.11 0.48 1.98 2.80 0.00 0.00 179.97 186.13 3jvi h MET 54 N 0.35 0.90 -0.43 0.20 4.05 -1.82 0.01 114.93 118.19 3jvi h MET 54 Ca -0.02 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 3jvi h MET 54 Cb 1.16 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 3jvi h MET 54 CO 0.11 0.60 0.16 0.00 0.23 0.00 0.00 176.91 178.01 3jvi h ARG 55 N 0.93 0.62 -0.01 0.39 3.08 -0.95 0.94 114.38 119.38 3jvi h ARG 55 Ca 0.30 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3jvi h ARG 55 Cb 0.02 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3jvi h ARG 55 CO -0.11 0.52 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.04 3jvi h LYS 56 N 0.61 0.05 -0.44 0.04 1.63 -0.89 -1.10 116.57 116.46 3jvi h LYS 56 Ca 0.15 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3jvi h LYS 56 Cb 0.15 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3jvi h LYS 56 CO -0.01 0.74 0.21 0.28 -3.45 0.00 0.00 179.45 177.22 3jvi h VAL 57 N -0.63 0.95 -0.10 2.00 2.07 -0.90 -1.84 116.25 117.79 3jvi h VAL 57 Ca -0.00 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3jvi h VAL 57 Cb 0.75 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3jvi h VAL 57 CO 0.01 0.08 -0.02 1.23 0.02 0.00 0.00 177.57 178.89 3jvi h GLY 58 N 0.42 0.08 0.49 2.17 0.00 -0.79 -2.64 103.07 102.81 3jvi h GLY 58 Ca 0.19 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.65 3jvi h GLY 58 CO -0.15 -0.03 0.45 1.70 0.00 0.00 0.00 176.54 178.52 3jvi h LYS 59 N 0.01 0.73 0.00 4.80 3.64 -0.59 -0.03 116.57 125.13 3jvi h LYS 59 Ca 0.05 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3jvi h LYS 59 Cb 0.07 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3jvi h LYS 59 CO -0.10 0.48 -0.06 0.66 -2.27 0.00 0.00 179.45 178.17 3jvi h SER 60 N 0.75 0.00 -0.38 4.20 4.64 -0.97 -2.10 113.55 119.70 3jvi h SER 60 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3jvi h SER 60 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3jvi h SER 60 CO -0.26 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 3jvi n ARG 61 N -3.94 3.31 -0.43 4.77 1.74 -0.38 -4.96 116.66 116.77 3jvi n ARG 61 Ca -0.03 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 3jvi n ARG 61 Cb 0.15 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3jvi n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jvi n GLY 62 N 0.11 0.76 3.38 -0.13 0.00 -0.79 -5.07 105.19 103.46 3jvi n GLY 62 Ca 0.21 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3jvi n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jvi s TYR 63 N -2.00 2.74 -0.58 1.61 2.02 -0.16 -4.97 117.35 116.00 3jvi s TYR 63 Ca 0.00 -0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 55.97 3jvi s TYR 63 Cb 0.00 -1.77 0.13 0.00 -0.40 0.00 0.00 41.96 39.92 3jvi s TYR 63 CO 0.00 -0.13 0.58 -0.65 -1.57 0.00 0.00 175.55 173.77 3jvi s GLN 64 N 0.07 3.07 -1.12 -0.62 -0.21 -1.26 -2.04 119.66 117.54 3jvi s GLN 64 Ca -0.06 -1.70 -0.14 0.00 0.02 0.00 0.00 55.36 53.48 3jvi s GLN 64 Cb -0.15 -4.31 0.18 0.00 1.00 0.00 0.00 33.01 29.73 3jvi s GLN 64 CO 0.05 -1.38 1.30 0.08 -2.12 0.00 0.00 175.29 173.22 3jvi s VAL 65 N 1.72 5.12 -0.64 1.09 1.01 -1.26 -4.67 120.40 122.76 3jvi s VAL 65 Ca 0.07 -2.52 0.09 0.00 0.00 0.00 0.00 61.98 59.62 3jvi s VAL 65 Cb -0.27 -4.83 0.27 0.00 0.00 0.00 0.00 36.38 31.55 3jvi s VAL 65 CO 0.02 -1.52 1.22 -0.90 0.00 0.00 0.00 175.10 173.92 3jvi n ASP 66 N 5.39 2.82 -4.66 3.32 5.68 -1.26 -4.74 116.55 123.11 3jvi n ASP 66 Ca 0.32 -2.13 -0.43 0.00 -0.50 0.00 0.00 54.79 52.04 3jvi n ASP 66 Cb 0.44 -0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3jvi n ASP 66 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3jvi n SER 67 N 0.15 2.13 -4.51 -1.12 2.88 -1.26 -4.90 113.62 106.99 3jvi n SER 67 Ca 0.10 1.17 -0.34 0.00 -1.33 0.00 0.00 58.87 58.47 3jvi n SER 67 Cb 0.44 -1.41 -0.12 0.00 -0.75 0.00 0.00 64.21 62.37 3jvi n SER 67 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3jvi s ILE 68 N -1.12 4.17 0.28 2.46 -1.09 -1.26 -3.00 121.20 121.63 3jvi s ILE 68 Ca 0.58 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.45 3jvi s ILE 68 Cb -0.60 -2.87 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 3jvi s ILE 68 CO 0.61 0.45 1.55 -1.54 -1.23 0.00 0.00 174.94 174.78 3jvi n SER 69 N 3.87 3.61 -3.76 3.58 3.41 0.13 -4.88 113.62 119.58 3jvi n SER 69 Ca -0.17 1.15 -0.11 0.00 -0.26 0.00 0.00 58.87 59.47 3jvi n SER 69 Cb 0.52 -1.56 -0.07 0.00 -0.26 0.00 0.00 64.21 62.84 3jvi n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jvi s ARG 70 N -0.48 0.82 0.43 4.33 1.70 -1.26 -1.07 118.95 123.43 3jvi s ARG 70 Ca 0.65 -0.55 -0.15 0.00 -0.47 0.00 0.00 55.73 55.21 3jvi s ARG 70 Cb -0.53 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.12 3jvi s ARG 70 CO 0.49 -0.27 0.87 -1.25 -1.08 0.00 0.00 175.30 174.06 3jvi s PRO 71 N -2.71 3.96 0.16 3.89 0.04 -1.26 -0.66 135.00 138.42 3jvi s PRO 71 Ca -0.04 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 3jvi s PRO 71 Cb -0.00 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3jvi s PRO 71 CO -0.04 -0.08 1.46 0.08 0.04 0.00 0.00 177.00 178.46 3jvi s VAL 72 N -2.35 2.92 0.38 -0.36 1.01 0.70 -4.66 120.40 118.05 3jvi s VAL 72 Ca 0.56 0.68 0.07 0.00 0.00 0.00 0.00 61.98 63.29 3jvi s VAL 72 Cb -0.10 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3jvi s VAL 72 CO 0.25 0.07 -0.00 0.68 0.00 0.00 0.00 175.10 176.10 3jvi s VAL 73 N 0.86 1.89 0.43 2.92 -7.23 -1.26 -4.94 120.40 113.07 3jvi s VAL 73 Ca 0.65 -2.04 0.12 0.00 -1.81 0.00 0.00 61.98 58.91 3jvi s VAL 73 Cb -0.40 -2.89 0.18 0.00 0.56 0.00 0.00 36.38 33.83 3jvi s VAL 73 CO 0.33 -0.04 1.98 0.77 -0.31 0.00 0.00 175.10 177.83 3jvi h SER 74 N 1.88 0.11 1.11 4.85 4.64 -1.97 -1.94 113.55 122.24 3jvi h SER 74 Ca -0.43 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3jvi h SER 74 Cb 1.24 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3jvi h SER 74 CO 0.77 0.25 0.00 0.77 -0.87 0.00 0.00 176.83 177.75 3jvi h SER 75 N 0.12 0.00 -0.64 4.97 4.64 -2.01 -1.82 113.55 118.80 3jvi h SER 75 Ca 0.02 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3jvi h SER 75 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3jvi h SER 75 CO 0.02 0.00 0.42 0.44 -0.87 0.00 0.00 176.83 176.84 3jvi h ASP 76 N 0.00 0.69 0.51 4.97 3.32 -1.76 0.35 116.42 124.49 3jvi h ASP 76 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3jvi h ASP 76 Cb 0.56 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3jvi h ASP 76 CO 0.00 0.49 -0.52 -0.26 -1.72 0.00 0.00 179.24 177.23 3jvi h PHE 77 N 0.81 0.02 0.04 4.55 0.04 -1.47 -1.69 116.94 119.23 3jvi h PHE 77 Ca 0.25 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.95 3jvi h PHE 77 Cb -0.00 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.15 3jvi h PHE 77 CO -0.00 0.53 -0.28 -0.22 -0.60 0.00 0.00 178.31 177.74 3jvi h LYS 78 N 0.01 0.12 -0.30 1.51 3.64 -1.54 -3.41 116.57 116.61 3jvi h LYS 78 Ca -0.00 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 3jvi h LYS 78 Cb 0.92 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3jvi h LYS 78 CO 0.07 1.04 -0.44 -0.91 -2.27 0.00 0.00 179.45 176.93 3jvi h ASN 79 N -0.70 0.90 -4.16 4.20 2.35 -0.83 -3.45 115.58 113.89 3jvi h ASN 79 Ca -0.05 -0.51 -0.48 0.00 -0.55 0.00 0.00 56.30 54.71 3jvi h ASN 79 Cb 1.16 -0.26 0.02 0.00 0.05 0.00 0.00 38.32 39.30 3jvi h ASN 79 CO 0.05 1.24 0.35 -0.36 -1.65 0.00 0.00 177.43 177.06 3jvi s PHE 80 N -4.21 3.49 -0.11 1.19 0.40 -0.65 -4.89 117.98 113.20 3jvi s PHE 80 Ca -0.11 1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 57.56 3jvi s PHE 80 Cb 0.10 -2.73 -0.26 0.00 0.51 0.00 0.00 43.02 40.64 3jvi s PHE 80 CO 0.87 -0.40 0.42 -0.25 0.70 0.00 0.00 175.22 176.56 3jvi n ASP 81 N -1.79 1.89 -3.92 1.36 9.92 0.18 -4.92 116.55 119.28 3jvi n ASP 81 Ca 0.06 0.25 -0.10 0.00 -0.53 0.00 0.00 54.79 54.46 3jvi n ASP 81 Cb 0.54 -0.71 -0.11 0.00 -0.64 0.00 0.00 41.12 40.19 3jvi n ASP 81 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3jvi s TYR 82 N -2.57 0.12 -0.05 1.24 2.02 -1.11 -4.69 117.35 112.32 3jvi s TYR 82 Ca -0.19 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3jvi s TYR 82 Cb 0.07 -0.10 0.01 0.00 -0.40 0.00 0.00 41.96 41.55 3jvi s TYR 82 CO 0.78 -0.16 -0.09 0.42 -1.57 0.00 0.00 175.55 174.93 3jvi s ILE 83 N -1.00 0.87 -0.16 2.71 1.01 0.16 -1.70 121.20 123.09 3jvi s ILE 83 Ca -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3jvi s ILE 83 Cb -0.07 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3jvi s ILE 83 CO -0.00 0.29 -0.17 -0.36 0.00 0.00 0.00 174.94 174.70 3jvi s PHE 84 N 0.66 2.47 0.06 3.97 0.08 0.74 -0.99 117.98 124.98 3jvi s PHE 84 Ca -0.12 -1.44 -0.23 0.00 0.12 0.00 0.00 56.93 55.27 3jvi s PHE 84 Cb -0.14 -1.76 -0.06 0.00 -0.57 0.00 0.00 43.02 40.49 3jvi s PHE 84 CO 0.02 -0.74 0.69 0.00 -0.10 0.00 0.00 175.22 175.09 3jvi s ALA 85 N 1.39 3.45 0.16 5.36 0.00 0.03 -0.10 121.76 132.06 3jvi s ALA 85 Ca 0.05 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.26 3jvi s ALA 85 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3jvi s ALA 85 CO -0.12 0.19 1.37 0.52 0.00 0.00 0.00 175.76 177.72 3jvi h MET 86 N 5.21 0.09 -4.70 0.00 2.86 -1.40 0.40 114.93 117.39 3jvi h MET 86 Ca -0.46 -0.11 -0.41 0.00 -2.06 0.00 0.00 59.70 56.66 3jvi h MET 86 Cb 1.21 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.78 3jvi h MET 86 CO 0.68 0.93 -0.42 0.16 1.06 0.00 0.00 176.91 179.32 3jvi s ASP 87 N -6.85 1.42 0.18 1.22 1.47 -1.26 -1.04 116.67 111.82 3jvi s ASP 87 Ca -0.01 -1.68 -0.02 0.00 1.18 0.00 0.00 52.55 52.03 3jvi s ASP 87 Cb 0.10 0.57 0.07 0.00 -0.34 0.00 0.00 42.92 43.33 3jvi s ASP 87 CO 0.82 -1.11 1.45 0.78 0.68 0.00 0.00 175.17 177.79 3jvi h ASN 88 N 2.15 0.50 -0.42 2.11 2.35 -1.91 -1.74 115.58 118.61 3jvi h ASN 88 Ca -0.26 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.17 3jvi h ASN 88 Cb 1.23 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 3jvi h ASN 88 CO 0.38 1.04 0.23 -0.78 -1.65 0.00 0.00 177.43 176.65 3jvi h ASP 89 N 0.29 0.53 -0.93 5.81 3.58 -2.00 -2.31 116.42 121.40 3jvi h ASP 89 Ca -0.02 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 3jvi h ASP 89 Cb 1.26 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 3jvi h ASP 89 CO 0.12 0.47 0.55 0.78 -2.88 0.00 0.00 179.24 178.28 3jvi h ASN 90 N 0.55 1.12 -0.27 2.28 -0.26 -1.90 -0.26 115.58 116.85 3jvi h ASN 90 Ca 0.15 -0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.87 3jvi h ASN 90 Cb 0.06 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 36.98 3jvi h ASN 90 CO -0.02 0.87 -0.09 0.22 -1.06 0.00 0.00 177.43 177.34 3jvi h TYR 91 N 1.28 -0.22 -0.02 1.19 3.20 -0.93 0.18 116.97 121.65 3jvi h TYR 91 Ca 0.33 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 62.03 3jvi h TYR 91 Cb -0.04 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3jvi h TYR 91 CO 0.01 -0.15 -0.85 1.88 -1.64 0.00 0.00 178.16 177.41 3jvi h TYR 92 N -0.04 0.45 -0.63 -3.82 0.05 -1.02 -2.00 116.97 109.97 3jvi h TYR 92 Ca 0.13 -0.23 0.02 0.00 0.05 0.00 0.00 58.73 58.70 3jvi h TYR 92 Cb 0.25 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 3jvi h TYR 92 CO -0.29 1.02 0.40 1.49 -1.05 0.00 0.00 178.16 179.73 3jvi h GLU 93 N 0.19 0.77 -0.46 4.88 4.57 -0.68 -0.61 114.58 123.24 3jvi h GLU 93 Ca -0.05 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3jvi h GLU 93 Cb 1.46 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 3jvi h GLU 93 CO 0.14 0.51 0.20 -0.07 -1.18 0.00 0.00 179.01 178.60 3jvi h LEU 94 N 0.79 0.62 -1.14 1.64 3.38 -0.43 -2.63 115.31 117.54 3jvi h LEU 94 Ca 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3jvi h LEU 94 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3jvi h LEU 94 CO -0.08 0.60 0.32 -0.07 0.09 0.00 0.00 178.44 179.29 3jvi h LEU 95 N 0.60 0.83 -1.25 1.67 3.38 -1.11 -0.86 115.31 118.57 3jvi h LEU 95 Ca 0.15 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3jvi h LEU 95 Cb 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3jvi h LEU 95 CO -0.02 0.70 0.54 0.44 0.09 0.00 0.00 178.44 180.19 3jvi h ASP 96 N 0.92 0.80 0.28 -0.43 3.32 -0.75 -2.93 116.42 117.63 3jvi h ASP 96 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3jvi h ASP 96 Cb 0.09 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3jvi h ASP 96 CO -0.03 0.52 -1.40 0.54 -1.72 0.00 0.00 179.24 177.14 3jvi n ARG 97 N -4.48 0.44 -2.69 3.56 1.74 -0.93 -4.95 116.66 109.35 3jvi n ARG 97 Ca 0.12 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 3jvi n ARG 97 Cb 0.21 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3jvi n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jvi n PRO 99 N 3.85 2.00 -0.32 0.00 -0.02 -1.26 -4.84 135.00 134.39 3jvi n PRO 99 Ca 0.06 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 3jvi n PRO 99 Cb 0.51 -2.26 0.32 0.00 -0.02 0.00 0.00 33.50 32.04 3jvi n PRO 99 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3jvi h GLU 100 N 2.41 0.07 -0.50 -0.52 4.57 -1.94 -0.55 114.58 118.11 3jvi h GLU 100 Ca -0.45 -0.00 0.15 0.00 -1.18 0.00 0.00 59.36 57.87 3jvi h GLU 100 Cb 1.29 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 3jvi h GLU 100 CO 0.62 0.04 0.58 0.37 -1.18 0.00 0.00 179.01 179.44 3jvi h GLN 101 N 0.07 0.00 -0.02 1.92 4.15 -2.02 -2.50 115.11 116.71 3jvi h GLN 101 Ca 0.60 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.02 3jvi h GLN 101 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 3jvi h GLN 101 CO -0.82 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 176.74 3jvi n TYR 102 N -3.59 0.03 0.25 3.99 4.01 -0.22 -4.78 117.16 116.84 3jvi n TYR 102 Ca 0.10 -0.16 0.08 0.00 -0.16 0.00 0.00 57.90 57.75 3jvi n TYR 102 Cb 0.77 -0.01 0.61 0.00 -0.31 0.00 0.00 39.34 40.39 3jvi n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3jvi h LYS 103 N 0.42 0.00 0.00 -0.72 1.57 -1.36 -1.76 116.57 114.72 3jvi h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3jvi h LYS 103 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3jvi h LYS 103 CO 0.00 0.10 0.10 -0.56 -0.57 0.00 0.00 179.45 178.52 3jvi h GLN 104 N 0.00 0.00 0.00 3.15 -0.00 -1.86 -2.61 115.11 113.79 3jvi h GLN 104 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3jvi h GLN 104 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 3jvi h GLN 104 CO 0.01 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.47 3jvi n LYS 105 N -2.95 0.24 -3.43 0.06 5.02 -0.66 -4.83 118.16 111.60 3jvi n LYS 105 Ca -0.03 0.21 -0.38 0.00 -2.02 0.00 0.00 58.31 56.09 3jvi n LYS 105 Cb 0.16 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.31 3jvi n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3jvi s ILE 106 N -3.10 5.22 0.16 -0.18 1.01 -0.99 -0.66 121.20 122.66 3jvi s ILE 106 Ca 0.11 0.59 0.06 0.00 0.00 0.00 0.00 60.65 61.40 3jvi s ILE 106 Cb 0.13 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3jvi s ILE 106 CO 0.58 0.24 -0.12 -0.36 0.00 0.00 0.00 174.94 175.29 3jvi s PHE 107 N 1.45 1.40 0.05 3.97 0.08 -0.16 -4.98 117.98 119.79 3jvi s PHE 107 Ca 0.16 -0.67 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 3jvi s PHE 107 Cb -0.15 -0.70 -0.06 0.00 -0.57 0.00 0.00 43.02 41.55 3jvi s PHE 107 CO 0.08 0.17 0.72 0.15 -0.10 0.00 0.00 175.22 176.24 3jvi s LYS 108 N -3.52 4.45 0.23 0.44 1.02 -1.26 -0.79 119.74 120.32 3jvi s LYS 108 Ca 0.17 0.99 -0.05 0.00 0.02 0.00 0.00 55.97 57.09 3jvi s LYS 108 Cb 0.00 -3.34 0.39 0.00 -0.52 0.00 0.00 37.83 34.36 3jvi s LYS 108 CO 0.03 0.35 1.76 1.98 -0.92 0.00 0.00 175.35 178.54 3jvi h MET 109 N 5.47 0.52 0.00 1.68 1.85 -1.20 -2.34 114.93 120.92 3jvi h MET 109 Ca -0.45 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 3jvi h MET 109 Cb 1.20 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 33.12 3jvi h MET 109 CO 0.70 0.35 0.00 -0.39 -0.40 0.00 0.00 176.91 177.16 3jvi h VAL 110 N 0.54 0.00 0.00 -5.77 -1.51 -1.89 -2.45 116.25 105.18 3jvi h VAL 110 Ca 0.38 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 3jvi h VAL 110 Cb 0.48 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3jvi h VAL 110 CO -0.33 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.48 3jvi n ASP 111 N -2.46 0.00 -0.80 4.19 8.00 -0.88 -1.97 116.55 122.63 3jvi n ASP 111 Ca 0.00 0.49 0.11 0.00 0.71 0.00 0.00 54.79 56.11 3jvi n ASP 111 Cb 0.17 -0.49 0.07 0.00 -0.02 0.00 0.00 41.12 40.85 3jvi n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3jvi n PHE 112 N -1.49 0.00 -2.04 1.24 3.72 -0.92 -4.95 117.46 113.01 3jvi n PHE 112 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 3jvi n PHE 112 Cb 0.13 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 3jvi n PHE 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jvi n THR 114 N 2.21 0.65 -0.09 0.00 -2.24 -1.26 -4.83 114.28 108.72 3jvi n THR 114 Ca 0.06 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3jvi n THR 114 Cb 0.41 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 3jvi n THR 114 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3jvi n THR 115 N -2.55 1.11 -2.50 4.28 5.66 -1.26 -4.94 114.28 114.08 3jvi n THR 115 Ca -0.17 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 59.91 3jvi n THR 115 Cb 0.77 -1.02 -0.03 0.00 -1.55 0.00 0.00 70.33 68.49 3jvi n THR 115 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3jvi s ILE 116 N -2.39 4.18 -1.11 1.09 1.01 -1.26 -4.96 121.20 117.76 3jvi s ILE 116 Ca -0.21 1.62 -0.06 0.00 0.00 0.00 0.00 60.65 62.00 3jvi s ILE 116 Cb 0.06 -4.04 0.29 0.00 0.01 0.00 0.00 42.46 38.78 3jvi s ILE 116 CO 0.51 0.15 1.47 2.29 0.00 0.00 0.00 174.94 179.36 3jvi n LYS 117 N 3.64 4.23 -4.39 2.79 -0.00 -1.26 -4.90 118.16 118.27 3jvi n LYS 117 Ca 0.07 -4.42 -0.27 0.00 -0.00 0.00 0.00 58.31 53.69 3jvi n LYS 117 Cb 0.47 -2.57 -0.12 0.00 -0.00 0.00 0.00 35.03 32.81 3jvi n LYS 117 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3jvi s THR 118 N -2.14 2.21 -0.84 0.58 -4.23 -1.26 -5.04 115.64 104.91 3jvi s THR 118 Ca 0.32 -1.86 0.22 0.00 -1.18 0.00 0.00 61.69 59.20 3jvi s THR 118 Cb 0.03 -1.99 -0.17 0.00 1.34 0.00 0.00 72.50 71.71 3jvi s THR 118 CO 0.07 -0.04 1.00 0.35 -0.54 0.00 0.00 174.62 175.46 3jvi n THR 119 N 0.63 0.04 -3.61 3.99 -2.24 -1.26 -4.96 114.28 106.87 3jvi n THR 119 Ca -0.16 -0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3jvi n THR 119 Cb 0.54 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 3jvi n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3jvi s GLU 120 N -3.08 1.05 -0.26 -0.78 2.02 -1.26 -4.79 118.70 111.60 3jvi s GLU 120 Ca 0.06 -0.53 -0.28 0.00 0.02 0.00 0.00 54.97 54.24 3jvi s GLU 120 Cb 0.16 0.47 0.01 0.00 0.10 0.00 0.00 34.13 34.86 3jvi s GLU 120 CO 0.83 -0.40 1.02 0.08 0.02 0.00 0.00 175.26 176.80 3jvi s VAL 121 N -3.27 4.66 0.56 2.63 1.01 -0.20 -5.02 120.40 120.76 3jvi s VAL 121 Ca -0.00 1.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 3jvi s VAL 121 Cb 0.01 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3jvi s VAL 121 CO -0.08 -0.25 1.05 -2.16 0.00 0.00 0.00 175.10 173.66 3jvi s PRO 122 N 3.27 3.45 -0.19 2.72 0.04 -1.26 -4.77 135.00 138.26 3jvi s PRO 122 Ca 0.43 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 3jvi s PRO 122 Cb -0.14 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 3jvi s PRO 122 CO 0.09 -0.71 1.10 0.34 0.04 0.00 0.00 177.00 177.86 3jvi s ASP 123 N -2.56 7.08 0.00 6.66 2.15 -1.26 -4.87 116.67 123.87 3jvi s ASP 123 Ca 0.65 1.50 0.00 0.00 0.43 0.00 0.00 52.55 55.13 3jvi s ASP 123 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3jvi s ASP 123 CO 0.32 -0.66 0.03 -0.81 -0.17 0.00 0.00 175.17 173.88 3jvi n PRO 124 N 6.15 0.02 -3.60 4.34 -0.04 -1.26 -5.02 135.00 135.58 3jvi n PRO 124 Ca 0.12 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 3jvi n PRO 124 Cb 0.46 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 3jvi n PRO 124 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3jvi s TYR 125 N 1.48 0.31 0.00 0.54 1.51 -1.26 -4.62 117.35 115.31 3jvi s TYR 125 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 3jvi s TYR 125 Cb 0.00 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 3jvi s TYR 125 CO 0.00 -0.62 0.00 0.41 -1.11 0.00 0.00 175.55 174.23 3jvi n GLY 128 N 5.25 2.95 0.32 0.71 0.00 -1.26 -5.07 105.19 108.09 3jvi n GLY 128 Ca -0.07 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.07 3jvi n GLY 128 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jvi h GLU 129 N 0.00 0.72 -0.39 1.61 5.08 -2.04 -0.19 114.58 119.37 3jvi h GLU 129 Ca 0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3jvi h GLU 129 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3jvi h GLU 129 CO 0.00 0.47 0.26 -0.22 -1.00 0.00 0.00 179.01 178.53 3jvi h LYS 130 N 0.74 0.37 -0.84 2.33 1.63 -2.01 -2.98 116.57 115.81 3jvi h LYS 130 Ca 0.48 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.38 3jvi h LYS 130 Cb 0.61 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 3jvi h LYS 130 CO -0.33 0.24 0.55 0.78 -3.45 0.00 0.00 179.45 177.24 3jvi h GLY 131 N 0.38 1.08 1.00 5.01 0.00 -1.30 -0.58 103.07 108.65 3jvi h GLY 131 Ca 0.16 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3jvi h GLY 131 CO -0.04 0.11 0.11 0.74 0.00 0.00 0.00 176.54 177.46 3jvi h PHE 132 N 0.66 0.93 -0.63 5.60 0.04 -1.64 -1.71 116.94 120.19 3jvi h PHE 132 Ca 0.41 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.97 3jvi h PHE 132 Cb 0.66 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3jvi h PHE 132 CO -0.00 0.82 0.05 0.45 -0.60 0.00 0.00 178.31 179.03 3jvi h HIS 133 N 0.77 1.17 -0.71 -0.55 3.86 -1.27 -2.64 115.15 115.78 3jvi h HIS 133 Ca 0.17 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3jvi h HIS 133 Cb 0.38 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3jvi h HIS 133 CO 0.03 1.00 0.28 -0.09 0.86 0.00 0.00 177.93 180.01 3jvi h ARG 134 N 1.00 1.07 -0.26 2.45 9.65 -1.02 0.25 114.38 127.52 3jvi h ARG 134 Ca 0.19 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3jvi h ARG 134 Cb 0.51 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 3jvi h ARG 134 CO 0.02 0.88 0.07 0.28 2.80 0.00 0.00 179.97 184.03 3jvi h VAL 135 N 1.02 0.91 -0.66 0.20 2.07 -1.23 -1.34 116.25 117.22 3jvi h VAL 135 Ca 0.24 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3jvi h VAL 135 Cb 0.22 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3jvi h VAL 135 CO -0.02 0.03 0.26 0.40 0.02 0.00 0.00 177.57 178.26 3jvi h ILE 136 N 0.18 1.24 -0.40 4.57 1.08 -1.04 -1.53 117.51 121.61 3jvi h ILE 136 Ca 0.12 -0.76 0.06 0.00 -0.39 0.00 0.00 64.86 63.89 3jvi h ILE 136 Cb 0.10 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 3jvi h ILE 136 CO -0.14 0.30 0.07 0.44 -0.69 0.00 0.00 178.15 178.13 3jvi h ASP 137 N 0.93 -0.02 -0.55 1.72 3.32 -0.03 0.49 116.42 122.28 3jvi h ASP 137 Ca 0.22 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3jvi h ASP 137 Cb 0.21 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3jvi h ASP 137 CO -0.02 0.03 0.29 0.40 -1.72 0.00 0.00 179.24 178.22 3jvi h ILE 138 N 0.19 1.19 -0.65 0.35 2.04 -0.83 -2.61 117.51 117.18 3jvi h ILE 138 Ca 0.19 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3jvi h ILE 138 Cb 0.24 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3jvi h ILE 138 CO -0.26 0.21 0.08 -0.07 0.00 0.00 0.00 178.15 178.11 3jvi h LEU 139 N 0.74 1.06 -0.54 1.44 3.38 -0.72 -1.12 115.31 119.54 3jvi h LEU 139 Ca 0.19 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3jvi h LEU 139 Cb 0.08 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3jvi h LEU 139 CO -0.03 1.06 0.20 -0.33 0.09 0.00 0.00 178.44 179.43 3jvi h GLU 140 N 1.02 0.38 0.86 1.13 5.08 -0.72 0.31 114.58 122.64 3jvi h GLU 140 Ca 0.20 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3jvi h GLU 140 Cb 0.47 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.64 3jvi h GLU 140 CO 0.02 0.25 -0.41 0.22 -1.00 0.00 0.00 179.01 178.08 3jvi h ASP 141 N 0.39 -0.98 -0.52 1.42 3.58 -1.29 -2.54 116.42 116.48 3jvi h ASP 141 Ca 0.26 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.76 3jvi h ASP 141 Cb 0.29 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 3jvi h ASP 141 CO -0.26 -0.66 0.32 0.00 -2.88 0.00 0.00 179.24 175.76 3jvi h ALA 142 N -1.14 0.66 -0.18 -0.78 0.00 -1.07 -2.67 119.26 114.08 3jvi h ALA 142 Ca -0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3jvi h ALA 142 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3jvi h ALA 142 CO 0.19 0.04 -0.45 0.00 0.00 0.00 0.00 179.25 179.03 3jvi h GLU 144 N 0.36 0.34 -0.54 0.00 4.57 -1.34 -2.09 114.58 115.88 3jvi h GLU 144 Ca 0.02 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 3jvi h GLU 144 Cb 0.94 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 3jvi h GLU 144 CO 0.08 0.41 0.07 -0.97 -1.18 0.00 0.00 179.01 177.42 3jvi h ASN 145 N 0.20 0.82 -0.57 1.04 -1.24 -1.35 -3.10 115.58 111.38 3jvi h ASN 145 Ca 0.07 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 3jvi h ASN 145 Cb 0.20 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 3jvi h ASN 145 CO -0.00 0.84 0.35 0.25 -1.29 0.00 0.00 177.43 177.58 3jvi h LEU 146 N 0.82 0.68 -0.96 0.34 5.85 -0.67 -0.89 115.31 120.48 3jvi h LEU 146 Ca 0.17 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3jvi h LEU 146 Cb 0.39 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3jvi h LEU 146 CO 0.01 0.54 0.21 -0.29 -0.34 0.00 0.00 178.44 178.57 3jvi h ILE 147 N 0.77 1.24 0.25 4.05 6.09 -1.37 0.17 117.51 128.71 3jvi h ILE 147 Ca 0.20 -0.80 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 3jvi h ILE 147 Cb -0.02 0.52 -0.02 0.00 0.47 0.00 0.00 36.82 37.77 3jvi h ILE 147 CO -0.04 0.31 -0.25 0.40 -3.07 0.00 0.00 178.15 175.50 3jvi h ILE 148 N 0.94 0.46 -0.86 2.19 1.08 -1.36 -2.31 117.51 117.65 3jvi h ILE 148 Ca 0.21 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.70 3jvi h ILE 148 Cb 0.25 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.42 3jvi h ILE 148 CO -0.01 0.00 0.57 0.11 -0.69 0.00 0.00 178.15 178.13 3jvi h LYS 149 N -0.54 1.11 -0.35 2.37 1.79 -0.82 -2.18 116.57 117.96 3jvi h LYS 149 Ca -0.01 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3jvi h LYS 149 Cb 0.49 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3jvi h LYS 149 CO -0.05 0.73 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.93 3jvi h LEU 150 N 1.14 0.53 0.00 2.94 3.38 -0.37 -1.09 115.31 121.84 3jvi h LEU 150 Ca 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3jvi h LEU 150 Cb -0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3jvi h LEU 150 CO -0.08 0.64 -0.06 -0.33 0.09 0.00 0.00 178.44 178.70 3jvi h GLU 151 N 0.53 0.00 -0.01 1.13 4.39 -1.19 -3.25 114.58 116.18 3jvi h GLU 151 Ca 0.11 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.64 3jvi h GLU 151 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3jvi h GLU 151 CO 0.02 0.00 -0.77 0.93 -1.16 0.00 0.00 179.01 178.03 3jvi h GLU 152 N 0.00 0.08 0.00 2.33 5.08 -0.56 -3.50 114.58 118.02 3jvi h GLU 152 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3jvi h GLU 152 Cb 0.97 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3jvi h GLU 152 CO 0.00 0.81 0.00 0.41 -1.00 0.00 0.00 179.01 179.23 3jvi n GLY 153 N 0.65 -0.45 3.77 -3.84 0.00 -1.07 -5.11 105.19 99.15 3jvi n GLY 153 Ca -0.02 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3jvi n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jvi s LYS 154 N -2.00 3.90 0.19 1.61 2.20 -1.26 -4.51 119.74 119.86 3jvi s LYS 154 Ca 0.00 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 3jvi s LYS 154 Cb 0.00 -2.74 -0.09 0.00 -1.51 0.00 0.00 37.83 33.49 3jvi s LYS 154 CO 0.00 -0.59 1.31 -0.51 -0.36 0.00 0.00 175.35 175.21 3jvi s LEU 155 N -2.49 4.41 0.00 5.43 1.43 -1.26 -4.91 118.68 121.28 3jvi s LEU 155 Ca 0.58 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 3jvi s LEU 155 Cb -0.40 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.21 3jvi s LEU 155 CO 0.52 -0.54 0.15 -0.38 0.23 0.00 0.00 176.35 176.33 3jvi n ILE 156 N 2.80 0.02 1.41 -0.59 -0.00 -1.26 -5.14 119.36 116.61 3jvi n ILE 156 Ca 0.07 -0.09 0.11 0.00 -0.00 0.00 0.00 62.75 62.84 3jvi n ILE 156 Cb 0.43 1.71 0.67 0.00 -0.00 0.00 0.00 39.64 42.45 3jvi n ILE 156 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14