#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvm s ARG 2 N 0.00 3.99 -0.30 2.12 1.70 -1.26 -4.95 118.95 120.25 2jvm s ARG 2 Ca 0.00 1.86 -0.13 0.00 -0.47 0.00 0.00 55.73 56.99 2jvm s ARG 2 Cb 0.00 -3.98 0.15 0.00 -0.57 0.00 0.00 34.95 30.55 2jvm s ARG 2 CO 0.00 -1.06 0.84 0.50 -1.08 0.00 0.00 175.30 174.50 2jvm s ARG 3 N 4.30 0.41 -0.75 3.89 3.52 -1.26 -5.00 118.95 124.06 2jvm s ARG 3 Ca 0.70 1.03 -0.00 0.00 -0.13 0.00 0.00 55.73 57.32 2jvm s ARG 3 Cb -0.28 0.62 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2jvm s ARG 3 CO 0.27 -0.16 0.68 0.94 -0.81 0.00 0.00 175.30 176.23 2jvm n GLN 4 N 5.19 -1.36 -2.37 5.12 -0.06 -1.26 -4.83 117.38 117.81 2jvm n GLN 4 Ca -0.10 1.40 -0.37 0.00 -2.00 0.00 0.00 57.00 55.93 2jvm n GLN 4 Cb 0.51 -5.26 -0.03 0.00 -4.06 0.00 0.00 30.24 21.41 2jvm n GLN 4 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2jvm s PRO 5 N -3.28 3.36 -0.12 3.69 0.02 -1.26 -4.89 135.00 132.51 2jvm s PRO 5 Ca 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 61.00 59.40 2jvm s PRO 5 Cb -0.00 -5.41 0.02 0.00 0.02 0.00 0.00 34.50 29.13 2jvm s PRO 5 CO 0.77 -2.97 -0.12 0.15 -0.33 0.00 0.00 177.00 174.50 2jvm s LYS 6 N 5.19 1.97 -0.15 5.54 3.01 -1.26 -5.11 119.74 128.93 2jvm s LYS 6 Ca 0.60 -0.44 -0.26 0.00 -1.01 0.00 0.00 55.97 54.86 2jvm s LYS 6 Cb 0.02 -1.84 -0.02 0.00 -1.01 0.00 0.00 37.83 34.98 2jvm s LYS 6 CO 0.10 -0.20 0.85 0.95 0.51 0.00 0.00 175.35 177.56 2jvm s THR 7 N 1.43 4.88 0.04 2.17 -4.23 -1.26 -4.98 115.64 113.69 2jvm s THR 7 Ca 0.02 1.69 -0.18 0.00 -1.18 0.00 0.00 61.69 62.03 2jvm s THR 7 Cb -0.13 -4.16 -0.09 0.00 1.34 0.00 0.00 72.50 69.46 2jvm s THR 7 CO -0.07 0.04 1.29 0.03 -0.54 0.00 0.00 174.62 175.37 2jvm h ARG 8 N 7.23 -0.50 -3.41 3.99 3.08 -2.01 -3.43 114.38 119.33 2jvm h ARG 8 Ca -0.31 0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.49 2jvm h ARG 8 Cb 1.14 0.11 -0.33 0.00 0.08 0.00 0.00 29.97 30.97 2jvm h ARG 8 CO 0.83 -0.33 -0.68 -0.65 -1.07 0.00 0.00 179.97 178.06 2jvm s GLN 9 N -4.46 0.01 0.18 0.04 -0.21 -1.26 -5.12 119.66 108.84 2jvm s GLN 9 Ca -0.09 0.27 -0.31 0.00 0.02 0.00 0.00 55.36 55.25 2jvm s GLN 9 Cb 0.02 -0.24 -0.09 0.00 1.00 0.00 0.00 33.01 33.70 2jvm s GLN 9 CO 0.31 -0.18 1.47 -1.83 -2.12 0.00 0.00 175.29 172.93 2jvm s GLU 10 N 1.18 4.27 -1.12 2.91 -1.05 -1.26 -4.87 118.70 118.77 2jvm s GLU 10 Ca -0.08 2.25 -0.22 0.00 -0.15 0.00 0.00 54.97 56.77 2jvm s GLU 10 Cb -0.12 -3.17 0.03 0.00 -0.44 0.00 0.00 34.13 30.43 2jvm s GLU 10 CO -0.04 -0.48 1.68 -1.12 0.95 0.00 0.00 175.26 176.25 2jvm s SER 11 N 0.83 6.23 -0.66 0.83 0.01 -1.26 -4.91 113.70 114.77 2jvm s SER 11 Ca 0.64 -1.69 -0.23 0.00 1.31 0.00 0.00 55.95 55.98 2jvm s SER 11 Cb -0.41 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.31 2jvm s SER 11 CO 0.35 -1.78 1.00 0.00 0.41 0.00 0.00 173.24 173.23 2jvm s ALA 12 N 6.24 3.07 -0.01 1.44 0.00 -1.26 -5.01 121.76 126.24 2jvm s ALA 12 Ca 0.55 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 2jvm s ALA 12 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2jvm s ALA 12 CO 0.00 -2.82 1.43 1.03 0.00 0.00 0.00 175.76 175.40 2jvm s ARG 13 N 4.26 4.27 0.41 0.00 0.52 -1.26 -5.02 118.95 122.12 2jvm s ARG 13 Ca 0.24 1.99 -0.00 0.00 -0.52 0.00 0.00 55.73 57.44 2jvm s ARG 13 Cb -0.16 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 2jvm s ARG 13 CO 0.11 -0.61 0.64 1.41 0.02 0.00 0.00 175.30 176.87 2jvm s MET 14 N 2.59 3.28 -0.87 3.54 -2.45 -1.26 -4.98 119.30 119.15 2jvm s MET 14 Ca 0.65 -0.35 -0.25 0.00 -1.25 0.00 0.00 55.69 54.49 2jvm s MET 14 Cb -0.32 -2.58 -0.11 0.00 1.25 0.00 0.00 34.83 33.08 2jvm s MET 14 CO 0.26 -0.10 2.21 -1.12 1.05 0.00 0.00 175.02 177.32 2jvm s SER 15 N -4.13 4.32 0.22 1.11 0.01 -1.26 -4.87 113.70 109.10 2jvm s SER 15 Ca 0.45 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.37 2jvm s SER 15 Cb -0.10 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2jvm s SER 15 CO 0.38 -3.54 0.06 -0.63 0.41 0.00 0.00 173.24 169.92 2jvm s ILE 16 N 13.22 0.57 0.00 1.44 1.01 -1.26 -5.15 121.20 131.03 2jvm s ILE 16 Ca 0.83 -1.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.34 2jvm s ILE 16 Cb -0.10 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 2jvm s ILE 16 CO 0.06 -0.20 0.42 -0.70 0.00 0.00 0.00 174.94 174.52 2jvm s GLU 17 N -3.99 3.95 0.27 2.79 2.12 -1.26 -5.06 118.70 117.52 2jvm s GLU 17 Ca 0.32 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 2jvm s GLU 17 Cb 0.07 -3.23 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 2jvm s GLU 17 CO 0.09 0.67 1.10 0.00 -0.54 0.00 0.00 175.26 176.58 2jvm s ALA 18 N -1.02 3.40 1.19 6.30 0.00 -1.26 -5.04 121.76 125.33 2jvm s ALA 18 Ca 0.24 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 2jvm s ALA 18 Cb -0.17 -3.33 0.28 0.00 0.00 0.00 0.00 23.12 19.90 2jvm s ALA 18 CO 0.14 -0.15 1.09 -2.14 0.00 0.00 0.00 175.76 174.69 2jvm s PRO 19 N -1.30 -1.10 -0.01 0.00 0.02 -1.26 -4.93 135.00 126.42 2jvm s PRO 19 Ca 0.45 0.09 -0.30 0.00 0.02 0.00 0.00 61.00 61.26 2jvm s PRO 19 Cb -0.32 -1.60 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 2jvm s PRO 19 CO 0.40 -3.66 1.73 -2.00 -0.33 0.00 0.00 177.00 173.14 2jvm s GLU 20 N -5.25 4.17 -0.21 5.54 2.56 -1.26 -4.95 118.70 119.29 2jvm s GLU 20 Ca 0.70 2.32 -0.29 0.00 0.00 0.00 0.00 54.97 57.70 2jvm s GLU 20 Cb -0.12 -3.96 0.01 0.00 2.00 0.00 0.00 34.13 32.05 2jvm s GLU 20 CO 0.57 -0.85 1.04 0.99 -0.56 0.00 0.00 175.26 176.45 2jvm s THR 21 N 3.90 4.68 -0.17 -1.70 2.01 -1.26 -4.55 115.64 118.54 2jvm s THR 21 Ca 0.77 2.02 -0.05 0.00 0.31 0.00 0.00 61.69 64.74 2jvm s THR 21 Cb -0.37 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 67.81 2jvm s THR 21 CO 0.33 -0.16 0.00 -0.69 -0.69 0.00 0.00 174.62 173.42 2jvm s VAL 22 N 3.07 4.21 -0.23 3.82 1.01 -1.02 -5.02 120.40 126.24 2jvm s VAL 22 Ca 0.45 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 2jvm s VAL 22 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2jvm s VAL 22 CO 0.08 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 175.06 2jvm s VAL 23 N 0.48 4.89 0.09 2.92 1.01 -1.26 -0.57 120.40 127.96 2jvm s VAL 23 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.08 2jvm s VAL 23 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2jvm s VAL 23 CO 0.02 0.37 -0.23 0.68 0.00 0.00 0.00 175.10 175.94 2jvm s VAL 24 N 1.03 2.49 -0.06 2.92 -7.23 0.45 -4.88 120.40 115.13 2jvm s VAL 24 Ca 0.05 -1.51 0.20 0.00 -1.81 0.00 0.00 61.98 58.92 2jvm s VAL 24 Cb -0.14 -2.08 -0.31 0.00 0.56 0.00 0.00 36.38 34.41 2jvm s VAL 24 CO 0.04 0.19 0.39 -1.20 -0.31 0.00 0.00 175.10 174.21 2jvm n SER 25 N 1.17 0.22 -4.91 4.85 7.64 -1.26 -1.47 113.62 119.86 2jvm n SER 25 Ca -0.17 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.44 2jvm n SER 25 Cb 0.53 1.78 -0.02 0.00 -1.01 0.00 0.00 64.21 65.49 2jvm n SER 25 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jvm s THR 26 N -3.27 4.95 -0.80 0.44 -4.23 -1.26 -4.95 115.64 106.51 2jvm s THR 26 Ca -0.08 0.12 0.25 0.00 -1.18 0.00 0.00 61.69 60.80 2jvm s THR 26 Cb 0.12 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 70.25 2jvm s THR 26 CO 0.86 -0.58 1.49 0.79 -0.54 0.00 0.00 174.62 176.64 2jvm n TRP 27 N -1.60 0.37 -4.97 3.99 7.02 -1.26 -4.75 117.44 116.24 2jvm n TRP 27 Ca -0.01 0.11 -0.29 0.00 -1.02 0.00 0.00 57.50 56.29 2jvm n TRP 27 Cb 0.55 -0.56 -0.15 0.00 -2.42 0.00 0.00 31.31 28.73 2jvm n TRP 27 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2jvm s LYS 28 N -3.09 1.80 0.12 -0.99 1.02 -1.26 -0.14 119.74 117.20 2jvm s LYS 28 Ca 0.09 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.10 2jvm s LYS 28 Cb 0.15 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2jvm s LYS 28 CO 0.67 0.50 -0.08 0.08 -0.92 0.00 0.00 175.35 175.60 2jvm s VAL 29 N -0.73 0.90 -0.22 3.17 1.01 0.33 -4.95 120.40 119.92 2jvm s VAL 29 Ca 0.10 -1.93 0.02 0.00 0.00 0.00 0.00 61.98 60.17 2jvm s VAL 29 Cb -0.10 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2jvm s VAL 29 CO 0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 175.10 174.21 2jvm s ALA 30 N -3.32 2.25 -0.19 5.51 0.00 -1.26 0.17 121.76 124.92 2jvm s ALA 30 Ca 0.12 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 2jvm s ALA 30 Cb 0.03 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2jvm s ALA 30 CO -0.02 -0.86 0.19 0.00 0.00 0.00 0.00 175.76 175.06 2jvm n ASP 32 N 3.54 2.81 0.00 0.00 2.03 -1.26 0.28 116.55 123.94 2jvm n ASP 32 Ca -0.15 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.07 2jvm n ASP 32 Cb 0.52 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2jvm n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jvm n GLY 33 N -1.15 0.81 0.00 0.27 0.00 -1.23 -4.14 105.19 99.76 2jvm n GLY 33 Ca 0.18 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2jvm n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jvm n GLY 34 N 0.00 5.24 3.88 -0.02 0.00 -0.70 -4.83 105.19 108.76 2jvm n GLY 34 Ca 0.00 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 2jvm n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jvm s GLU 35 N 0.68 3.33 6.88 1.61 0.41 -1.26 -4.66 118.70 125.70 2jvm s GLU 35 Ca 0.00 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 2jvm s GLU 35 Cb 0.00 -3.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 2jvm s GLU 35 CO 0.00 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 2jvm n GLY 36 N 0.58 2.32 0.10 -1.39 0.00 -1.26 -2.36 105.19 103.19 2jvm n GLY 36 Ca -0.08 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2jvm n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvm h ALA 37 N -0.53 0.74 -2.53 4.61 0.00 -2.05 -3.46 119.26 116.05 2jvm h ALA 37 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2jvm h ALA 37 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jvm h ALA 37 CO 0.00 0.00 0.63 -0.51 0.00 0.00 0.00 179.25 179.37 2jvm s LEU 38 N -4.75 4.38 -0.20 0.00 1.43 -0.99 -4.98 118.68 113.57 2jvm s LEU 38 Ca 0.07 2.18 -0.28 0.00 -1.03 0.00 0.00 54.13 55.07 2jvm s LEU 38 Cb 0.11 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.86 2jvm s LEU 38 CO 0.69 -0.54 0.94 -0.83 0.23 0.00 0.00 176.35 176.84 2jvm s GLY 39 N 0.98 -0.29 -0.00 -3.19 0.00 -1.26 -1.72 107.32 101.83 2jvm s GLY 39 Ca 0.61 2.16 -0.29 0.00 0.00 0.00 0.00 44.72 47.20 2jvm s GLY 39 CO 0.31 1.37 1.02 -2.38 0.00 0.00 0.00 173.10 173.42 2jvm s HIS 40 N -0.51 -0.21 0.72 1.90 -3.43 -1.26 -4.85 115.29 107.65 2jvm s HIS 40 Ca -0.01 0.05 -0.16 0.00 -0.80 0.00 0.00 55.06 54.15 2jvm s HIS 40 Cb -0.02 0.56 0.04 0.00 -1.43 0.00 0.00 32.58 31.72 2jvm s HIS 40 CO -0.00 -0.51 1.24 -2.14 -2.00 0.00 0.00 174.74 171.32 2jvm s PRO 41 N -2.94 2.12 0.04 -0.38 0.02 -1.26 -3.54 135.00 129.07 2jvm s PRO 41 Ca 0.09 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.67 2jvm s PRO 41 Cb -0.00 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 2jvm s PRO 41 CO -0.05 -1.87 1.77 0.50 -0.33 0.00 0.00 177.00 177.02 2jvm s ARG 42 N -3.79 4.17 0.32 5.54 3.52 -1.25 -4.66 118.95 122.79 2jvm s ARG 42 Ca 0.77 2.41 0.10 0.00 -0.13 0.00 0.00 55.73 58.88 2jvm s ARG 42 Cb -0.32 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 2jvm s ARG 42 CO 0.45 -0.84 -0.04 0.54 -0.81 0.00 0.00 175.30 174.60 2jvm s VAL 43 N 3.52 2.72 -0.35 7.11 0.11 0.14 -4.93 120.40 128.73 2jvm s VAL 43 Ca 0.79 -2.06 -0.09 0.00 -2.93 0.00 0.00 61.98 57.69 2jvm s VAL 43 Cb -0.40 -2.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2jvm s VAL 43 CO 0.35 -0.27 0.15 0.26 -3.33 0.00 0.00 175.10 172.26 2jvm s TRP 44 N -2.49 3.23 0.44 1.54 0.52 -1.26 -0.74 118.94 120.17 2jvm s TRP 44 Ca 0.33 -1.10 0.08 0.00 0.02 0.00 0.00 56.10 55.42 2jvm s TRP 44 Cb -0.02 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.94 2jvm s TRP 44 CO 0.18 -0.65 0.40 -0.51 0.02 0.00 0.00 176.95 176.39 2jvm s LEU 45 N 1.50 3.30 -0.00 2.99 1.43 0.13 -4.95 118.68 123.07 2jvm s LEU 45 Ca 0.01 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2jvm s LEU 45 Cb -0.19 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 2jvm s LEU 45 CO 0.05 -0.74 0.10 -0.55 0.23 0.00 0.00 176.35 175.44 2jvm s SER 46 N -4.17 0.05 -0.33 2.29 0.15 -1.26 -0.51 113.70 109.92 2jvm s SER 46 Ca 0.47 -0.21 -0.23 0.00 0.70 0.00 0.00 55.95 56.69 2jvm s SER 46 Cb -0.03 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2jvm s SER 46 CO 0.28 -0.30 0.76 -0.63 1.20 0.00 0.00 173.24 174.54 2jvm s ILE 47 N -1.18 4.79 0.12 6.45 -1.09 0.81 -4.84 121.20 126.25 2jvm s ILE 47 Ca -0.13 1.02 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 2jvm s ILE 47 Cb -0.07 -4.15 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 2jvm s ILE 47 CO 0.01 -0.30 1.68 -2.84 -1.23 0.00 0.00 174.94 172.26 2jvm s PRO 48 N 2.96 4.18 0.32 2.79 0.02 -1.26 -4.88 135.00 139.13 2jvm s PRO 48 Ca 0.31 2.43 0.26 0.00 0.02 0.00 0.00 61.00 64.01 2jvm s PRO 48 Cb -0.14 -3.44 0.79 0.00 0.02 0.00 0.00 34.50 31.73 2jvm s PRO 48 CO 0.14 -0.73 1.75 0.45 -0.33 0.00 0.00 177.00 178.28 2jvm h HIS 49 N 7.89 0.00 0.00 6.54 3.86 -1.95 0.14 115.15 131.63 2jvm h HIS 49 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2jvm h HIS 49 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2jvm h HIS 49 CO 0.74 0.00 -0.01 -0.85 0.86 0.00 0.00 177.93 178.66 2jvm n GLU 50 N -2.58 0.19 0.03 2.45 0.00 -1.26 -4.45 120.64 115.02 2jvm n GLU 50 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2jvm n GLU 50 Cb 0.40 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 30.12 2jvm n GLU 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2jvm n THR 51 N -2.06 0.31 0.00 3.84 -2.24 -1.04 -5.06 114.28 108.03 2jvm n THR 51 Ca 0.06 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2jvm n THR 51 Cb 0.41 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 2jvm n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jvm n GLY 52 N 2.69 1.08 3.41 3.38 0.00 0.48 -5.07 105.19 111.15 2jvm n GLY 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jvm n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jvm s PHE 53 N -2.00 -0.48 0.02 1.61 -0.71 -1.26 -2.18 117.98 112.98 2jvm s PHE 53 Ca 0.00 0.44 0.01 0.00 -1.04 0.00 0.00 56.93 56.34 2jvm s PHE 53 Cb 0.00 0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2jvm s PHE 53 CO 0.00 -0.73 -0.03 0.54 -1.34 0.00 0.00 175.22 173.66 2jvm s VAL 54 N -2.94 0.19 -0.14 -2.49 0.11 -0.44 -4.39 120.40 110.29 2jvm s VAL 54 Ca -0.03 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2jvm s VAL 54 Cb -0.00 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2jvm s VAL 54 CO -0.06 -0.30 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.61 2jvm s GLU 55 N -1.01 3.12 0.01 1.54 2.02 -1.26 -0.87 118.70 122.25 2jvm s GLU 55 Ca -0.09 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 2jvm s GLU 55 Cb -0.07 -2.50 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 2jvm s GLU 55 CO -0.00 0.03 1.74 0.00 0.02 0.00 0.00 175.26 177.05 2jvm n GLY 57 N 4.20 -0.64 0.14 0.00 0.00 -1.26 -3.52 105.19 104.11 2jvm n GLY 57 Ca 0.18 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2jvm n GLY 57 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jvm h TYR 58 N 1.14 0.79 0.00 1.61 5.03 -2.00 -3.47 116.97 120.07 2jvm h TYR 58 Ca 0.00 -0.57 0.00 0.00 2.58 0.00 0.00 58.73 60.74 2jvm h TYR 58 Cb 0.52 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2jvm h TYR 58 CO 0.00 1.50 0.00 0.00 -1.32 0.00 0.00 178.16 178.34 2jvm n ASP 60 N 0.00 0.00 -4.07 0.00 -0.08 -1.23 -4.87 116.55 106.30 2jvm n ASP 60 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2jvm n ASP 60 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2jvm s ARG 61 N 0.00 0.55 -0.22 -0.67 3.52 -1.26 -4.80 118.95 116.06 2jvm s ARG 61 Ca 0.00 -0.88 -0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2jvm s ARG 61 Cb 0.00 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 2jvm s ARG 61 CO 0.00 0.00 -0.10 0.50 -0.81 0.00 0.00 175.30 174.90 2jvm s ARG 62 N -2.19 3.02 -0.20 5.12 3.52 -1.26 -0.94 118.95 126.02 2jvm s ARG 62 Ca -0.06 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 54.64 2jvm s ARG 62 Cb -0.05 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.43 2jvm s ARG 62 CO -0.02 -0.29 0.02 0.71 -0.81 0.00 0.00 175.30 174.91 2jvm s TYR 63 N 1.35 3.08 -0.04 5.12 1.51 -0.05 -2.43 117.35 125.90 2jvm s TYR 63 Ca 0.03 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 2jvm s TYR 63 Cb -0.15 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2jvm s TYR 63 CO -0.07 -0.16 -0.18 0.42 -1.11 0.00 0.00 175.55 174.45 2jvm s ILE 64 N 0.90 2.74 0.30 2.71 -1.09 0.27 -1.33 121.20 125.70 2jvm s ILE 64 Ca 0.02 -0.85 -0.27 0.00 -2.23 0.00 0.00 60.65 57.32 2jvm s ILE 64 Cb -0.14 -2.04 -0.09 0.00 -1.58 0.00 0.00 42.46 38.61 2jvm s ILE 64 CO 0.02 0.59 0.97 -2.28 -1.23 0.00 0.00 174.94 173.01 2jvm s HIS 65 N -0.69 3.72 0.48 3.97 2.46 -0.93 -0.41 115.29 123.89 2jvm s HIS 65 Ca 0.11 1.80 0.20 0.00 0.47 0.00 0.00 55.06 57.64 2jvm s HIS 65 Cb -0.10 -3.01 1.23 0.00 -0.13 0.00 0.00 32.58 30.56 2jvm s HIS 65 CO -0.00 0.10 1.97 1.05 -2.47 0.00 0.00 174.74 175.39 2jvm h GLU 66 N 3.46 0.19 0.00 2.88 4.11 -1.60 -1.36 114.58 122.27 2jvm h GLU 66 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2jvm h GLU 66 Cb 1.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jvm h GLU 66 CO 0.66 0.13 0.00 1.03 0.07 0.00 0.00 179.01 180.89 2jvm h SER 67 N 0.20 0.00 0.21 3.06 0.87 -1.92 -0.03 113.55 115.94 2jvm h SER 67 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2jvm h SER 67 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2jvm h SER 67 CO -0.05 0.00 -1.16 0.49 -0.53 0.00 0.00 176.83 175.57 2jvm n PHE 68 N -2.81 0.12 -0.00 2.24 3.72 -0.52 -3.86 117.46 116.35 2jvm n PHE 68 Ca -0.00 0.03 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 2jvm n PHE 68 Cb 0.20 -0.29 -0.14 0.00 -0.94 0.00 0.00 39.48 38.31 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jvm n ALA 69 N -1.78 1.03 -1.02 4.37 0.00 -0.15 -4.72 120.51 118.24 2jvm n ALA 69 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2jvm n ALA 69 Cb 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2jvm n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm n ALA 70 N -2.90 0.00 0.00 0.00 0.00 -0.46 -4.86 120.51 112.28 2jvm n ALA 70 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2jvm n ALA 70 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm n ALA 71 N -0.99 0.00 -0.04 0.00 0.00 -1.25 -3.95 120.51 114.28 2jvm n ALA 71 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2jvm n ALA 71 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2jvm n ALA 71 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jvm h LYS 72 N 0.00 -0.03 -6.32 0.00 6.56 -1.94 -3.42 116.57 111.42 2jvm h LYS 72 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 2jvm h LYS 72 Cb 0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 2jvm h LYS 72 CO 0.00 0.71 0.20 -0.51 -2.06 0.00 0.00 179.45 177.79 2jvm s LEU 73 N -8.55 4.43 -0.18 2.94 1.02 -1.25 -4.44 118.68 112.66 2jvm s LEU 73 Ca -0.16 1.49 -0.01 0.00 0.02 0.00 0.00 54.13 55.47 2jvm s LEU 73 Cb -0.01 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.90 2jvm s LEU 73 CO 0.60 -0.04 0.02 1.21 0.02 0.00 0.00 176.35 178.15 2jvm n GLU 74 N 3.03 -2.33 -1.90 1.70 2.13 -1.26 -4.75 120.64 117.26 2jvm n GLU 74 Ca -0.01 2.05 -0.25 0.00 0.66 0.00 0.00 57.16 59.61 2jvm n GLU 74 Cb 0.50 -3.60 -0.05 0.00 0.27 0.00 0.00 31.44 28.56 2jvm n GLU 74 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jvm s HIS 75 N -1.28 1.57 -0.57 4.31 3.76 -1.26 -4.75 115.29 117.06 2jvm s HIS 75 Ca -0.02 1.06 -0.26 0.00 -0.15 0.00 0.00 55.06 55.69 2jvm s HIS 75 Cb 0.00 -3.87 -0.06 0.00 1.11 0.00 0.00 32.58 29.76 2jvm s HIS 75 CO 0.47 -1.81 2.23 -1.58 -0.85 0.00 0.00 174.74 173.20 2jvm s HIS 76 N 11.30 1.28 0.11 1.40 2.46 -1.26 -4.55 115.29 126.03 2jvm s HIS 76 Ca 0.77 1.35 0.00 0.00 0.47 0.00 0.00 55.06 57.65 2jvm s HIS 76 Cb -0.10 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 2jvm s HIS 76 CO 0.06 -2.34 0.00 1.58 -2.47 0.00 0.00 174.74 171.57 2jvm n HIS 77 N 15.21 -0.91 -2.55 3.88 -0.00 -1.26 -5.13 115.22 124.46 2jvm n HIS 77 Ca 0.33 0.16 -0.02 0.00 -0.00 0.00 0.00 57.72 58.20 2jvm n HIS 77 Cb 0.53 0.45 -0.01 0.00 -0.00 0.00 0.00 29.99 30.96 2jvm n HIS 77 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jvm n HIS 78 N -2.91 -3.74 -3.08 1.57 8.25 -1.26 -4.98 115.22 109.07 2jvm n HIS 78 Ca 0.00 1.84 -0.39 0.00 -0.26 0.00 0.00 57.72 58.91 2jvm n HIS 78 Cb 0.00 -3.74 -0.05 0.00 1.12 0.00 0.00 29.99 27.32 2jvm n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jvm s HIS 79 N -1.18 3.67 -2.25 4.41 2.46 -1.26 -5.32 115.29 115.82 2jvm s HIS 79 Ca -0.09 1.31 0.18 0.00 0.47 0.00 0.00 55.06 56.93 2jvm s HIS 79 Cb 0.01 -2.74 0.14 0.00 -0.13 0.00 0.00 32.58 29.86 2jvm s HIS 79 CO 0.71 0.25 1.07 1.58 -2.47 0.00 0.00 174.74 175.88