#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvm n ARG 2 N 0.00 1.76 -2.57 2.12 0.63 -1.26 -4.61 116.66 112.73 2jvm n ARG 2 Ca 0.00 -1.14 -0.41 0.00 -0.92 0.00 0.00 57.85 55.38 2jvm n ARG 2 Cb 0.00 -1.39 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 2jvm n ARG 2 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2jvm s ARG 3 N -1.77 3.52 0.39 -0.14 0.52 -1.26 -4.96 118.95 115.25 2jvm s ARG 3 Ca 0.32 -0.99 0.06 0.00 -0.52 0.00 0.00 55.73 54.60 2jvm s ARG 3 Cb 0.17 -5.14 -0.07 0.00 0.52 0.00 0.00 34.95 30.42 2jvm s ARG 3 CO 0.26 -2.19 0.02 -0.65 0.02 0.00 0.00 175.30 172.77 2jvm s GLN 4 N 5.04 1.88 -0.56 3.54 -0.21 -1.26 -5.05 119.66 123.03 2jvm s GLN 4 Ca 0.44 -2.06 -0.31 0.00 0.02 0.00 0.00 55.36 53.44 2jvm s GLN 4 Cb -0.02 -1.42 -0.13 0.00 1.00 0.00 0.00 33.01 32.45 2jvm s GLN 4 CO -0.06 -0.10 2.39 -2.30 -2.12 0.00 0.00 175.29 173.11 2jvm n PRO 5 N -0.90 0.78 -3.43 2.91 -0.02 -1.26 -4.93 135.00 128.16 2jvm n PRO 5 Ca -0.04 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 2jvm n PRO 5 Cb 0.67 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 2jvm n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jvm s LYS 6 N 7.55 3.44 -0.08 -0.52 2.47 -1.26 -5.04 119.74 126.30 2jvm s LYS 6 Ca 1.13 -0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 54.66 2jvm s LYS 6 Cb -0.76 -3.84 0.12 0.00 -1.46 0.00 0.00 37.83 31.89 2jvm s LYS 6 CO 0.42 -0.56 1.01 -0.08 0.16 0.00 0.00 175.35 176.31 2jvm s THR 7 N 1.92 0.00 -0.23 3.43 -1.32 -1.26 -5.15 115.64 113.03 2jvm s THR 7 Ca 0.10 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.54 2jvm s THR 7 Cb -0.17 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.94 2jvm s THR 7 CO 0.11 0.00 0.40 -0.60 -2.21 0.00 0.00 174.62 172.32 2jvm s ARG 8 N -2.78 0.35 0.61 7.08 3.52 -1.26 -5.16 118.95 121.31 2jvm s ARG 8 Ca 0.06 0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 56.24 2jvm s ARG 8 Cb -0.01 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.15 2jvm s ARG 8 CO -0.07 -0.52 1.03 1.14 -0.81 0.00 0.00 175.30 176.07 2jvm s GLN 9 N 2.58 3.44 -0.13 5.12 -2.07 -1.26 -5.05 119.66 122.29 2jvm s GLN 9 Ca 0.09 0.95 -0.08 0.00 -1.82 0.00 0.00 55.36 54.49 2jvm s GLN 9 Cb -0.14 -2.06 -0.04 0.00 -1.09 0.00 0.00 33.01 29.67 2jvm s GLN 9 CO -0.15 -0.69 0.16 -1.83 -1.32 0.00 0.00 175.29 171.46 2jvm s GLU 10 N -4.64 3.65 -0.28 9.60 -1.05 -1.26 -4.79 118.70 119.92 2jvm s GLU 10 Ca 0.59 -0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 55.28 2jvm s GLU 10 Cb -0.13 -3.25 0.01 0.00 -0.44 0.00 0.00 34.13 30.33 2jvm s GLU 10 CO 0.45 0.66 0.05 0.43 0.95 0.00 0.00 175.26 177.81 2jvm n SER 11 N 2.33 -6.35 -0.15 0.83 7.64 -1.26 -4.95 113.62 111.71 2jvm n SER 11 Ca -0.19 1.41 0.11 0.00 1.01 0.00 0.00 58.87 61.22 2jvm n SER 11 Cb 0.54 -5.30 0.03 0.00 -1.01 0.00 0.00 64.21 58.47 2jvm n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jvm n ALA 12 N 0.91 4.07 -0.22 -0.43 0.00 -1.26 -4.99 120.51 118.59 2jvm n ALA 12 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2jvm n ALA 12 Cb 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2jvm n ALA 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jvm n ARG 13 N -1.04 0.00 -1.98 0.00 3.00 -1.26 -4.84 116.66 110.54 2jvm n ARG 13 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.49 2jvm n ARG 13 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.80 2jvm n ARG 13 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2jvm s MET 14 N 0.00 4.20 -0.44 -0.14 -1.94 -1.26 -4.97 119.30 114.75 2jvm s MET 14 Ca 0.00 2.24 -0.12 0.00 -1.71 0.00 0.00 55.69 56.10 2jvm s MET 14 Cb 0.00 -3.79 0.07 0.00 2.01 0.00 0.00 34.83 33.12 2jvm s MET 14 CO 0.00 -0.77 0.31 -1.12 -0.01 0.00 0.00 175.02 173.42 2jvm s SER 15 N 2.85 5.83 0.30 3.03 0.01 -1.26 -5.06 113.70 119.40 2jvm s SER 15 Ca 0.73 -1.41 0.05 0.00 1.31 0.00 0.00 55.95 56.63 2jvm s SER 15 Cb -0.36 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 2jvm s SER 15 CO 0.31 -0.57 0.01 -0.63 0.41 0.00 0.00 173.24 172.77 2jvm s ILE 16 N 1.51 1.36 0.53 1.44 1.09 -1.26 -5.17 121.20 120.70 2jvm s ILE 16 Ca 0.03 -2.05 0.04 0.00 -1.10 0.00 0.00 60.65 57.58 2jvm s ILE 16 Cb -0.23 -2.62 0.02 0.00 -1.06 0.00 0.00 42.46 38.57 2jvm s ILE 16 CO 0.04 -0.15 0.29 -1.61 -0.10 0.00 0.00 174.94 173.40 2jvm s GLU 17 N -3.82 2.24 -0.11 2.79 2.02 -1.26 -5.12 118.70 115.44 2jvm s GLU 17 Ca 0.33 -2.11 -0.18 0.00 0.02 0.00 0.00 54.97 53.03 2jvm s GLU 17 Cb 0.07 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 2jvm s GLU 17 CO 0.13 -0.53 0.47 0.00 0.02 0.00 0.00 175.26 175.36 2jvm s ALA 18 N -2.79 3.48 0.96 5.21 0.00 -1.26 -5.07 121.76 122.29 2jvm s ALA 18 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 2jvm s ALA 18 Cb -0.01 -2.64 0.17 0.00 0.00 0.00 0.00 23.12 20.64 2jvm s ALA 18 CO 0.16 0.02 1.09 -2.14 0.00 0.00 0.00 175.76 174.89 2jvm s PRO 19 N 0.56 0.73 -0.05 0.00 0.02 -1.26 -5.00 135.00 130.01 2jvm s PRO 19 Ca 0.26 0.88 -0.25 0.00 0.02 0.00 0.00 61.00 61.91 2jvm s PRO 19 Cb -0.15 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2jvm s PRO 19 CO 0.10 -2.62 0.75 -1.21 -0.33 0.00 0.00 177.00 173.69 2jvm s GLU 20 N -4.81 4.46 0.46 5.54 2.02 -1.26 -5.06 118.70 120.05 2jvm s GLU 20 Ca 0.65 0.97 -0.02 0.00 0.02 0.00 0.00 54.97 56.59 2jvm s GLU 20 Cb -0.20 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 2jvm s GLU 20 CO 0.59 0.05 0.71 -0.08 0.02 0.00 0.00 175.26 176.54 2jvm s THR 21 N 0.83 4.39 -0.34 3.63 -1.32 -1.26 -5.03 115.64 116.54 2jvm s THR 21 Ca 0.40 -0.24 -0.10 0.00 -1.21 0.00 0.00 61.69 60.54 2jvm s THR 21 Cb -0.18 -3.65 0.01 0.00 -1.51 0.00 0.00 72.50 67.17 2jvm s THR 21 CO 0.20 -0.53 0.17 -0.69 -2.21 0.00 0.00 174.62 171.56 2jvm s VAL 22 N -2.62 4.57 -0.20 5.08 1.01 -1.25 -5.02 120.40 121.96 2jvm s VAL 22 Ca 0.47 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2jvm s VAL 22 Cb -0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2jvm s VAL 22 CO 0.40 -0.07 0.58 -0.69 0.00 0.00 0.00 175.10 175.32 2jvm s VAL 23 N 1.58 5.06 0.12 2.92 1.01 -1.25 -1.80 120.40 128.03 2jvm s VAL 23 Ca 0.03 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.15 2jvm s VAL 23 Cb -0.18 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2jvm s VAL 23 CO 0.06 0.13 -0.05 0.68 0.00 0.00 0.00 175.10 175.93 2jvm s VAL 24 N 1.84 3.63 -2.63 2.92 -7.23 0.73 -4.86 120.40 114.79 2jvm s VAL 24 Ca 0.26 -1.25 0.21 0.00 -1.81 0.00 0.00 61.98 59.40 2jvm s VAL 24 Cb -0.16 -2.74 0.17 0.00 0.56 0.00 0.00 36.38 34.21 2jvm s VAL 24 CO 0.10 0.05 1.17 -0.24 -0.31 0.00 0.00 175.10 175.87 2jvm n SER 25 N 0.44 2.77 -4.58 4.85 2.88 -1.26 -0.56 113.62 118.15 2jvm n SER 25 Ca -0.12 -1.88 -0.25 0.00 -1.33 0.00 0.00 58.87 55.30 2jvm n SER 25 Cb 0.53 -0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 2jvm n SER 25 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jvm s THR 26 N -1.75 3.17 -0.09 2.46 -4.23 -1.26 -4.96 115.64 108.98 2jvm s THR 26 Ca 0.25 -1.91 0.15 0.00 -1.18 0.00 0.00 61.69 59.00 2jvm s THR 26 Cb 0.18 -2.65 -0.18 0.00 1.34 0.00 0.00 72.50 71.19 2jvm s THR 26 CO 0.26 -0.28 0.75 0.79 -0.54 0.00 0.00 174.62 175.60 2jvm n TRP 27 N -0.50 0.98 -3.78 3.99 7.02 -1.26 -4.84 117.44 119.06 2jvm n TRP 27 Ca -0.08 0.34 -0.37 0.00 -1.02 0.00 0.00 57.50 56.37 2jvm n TRP 27 Cb 0.58 -1.13 -0.06 0.00 -2.42 0.00 0.00 31.31 28.28 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 -2.79 3.57 -0.11 -0.99 1.02 -1.26 0.02 119.74 119.20 2jvm s LYS 28 Ca -0.04 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 2jvm s LYS 28 Cb 0.08 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 2jvm s LYS 28 CO 0.82 0.75 -0.05 0.14 -0.92 0.00 0.00 175.35 176.09 2jvm s VAL 29 N -1.06 0.82 -0.82 3.17 -7.23 -0.18 -5.00 120.40 110.11 2jvm s VAL 29 Ca 0.18 -0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 2jvm s VAL 29 Cb -0.13 -0.91 0.12 0.00 0.56 0.00 0.00 36.38 36.01 2jvm s VAL 29 CO 0.07 0.29 1.03 0.00 -0.31 0.00 0.00 175.10 176.18 2jvm s ALA 30 N 1.79 3.33 -0.10 1.32 0.00 -1.26 -0.97 121.76 125.87 2jvm s ALA 30 Ca 0.04 -2.49 -0.24 0.00 0.00 0.00 0.00 51.96 49.27 2jvm s ALA 30 Cb -0.13 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 2jvm s ALA 30 CO -0.07 -2.84 0.75 0.00 0.00 0.00 0.00 175.76 173.60 2jvm n ASP 32 N 4.27 2.24 0.00 0.00 2.03 -1.26 -0.55 116.55 123.28 2jvm n ASP 32 Ca 0.01 -1.77 0.00 0.00 0.52 0.00 0.00 54.79 53.54 2jvm n ASP 32 Cb 0.50 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.19 -1.49 0.00 0.27 0.00 -1.26 -1.90 105.19 101.00 2jvm n GLY 33 Ca 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.60 3.67 -0.02 0.00 -1.26 -4.85 105.19 103.34 2jvm n GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jvm n GLY 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jvm s GLU 35 N 3.84 -0.37 0.20 1.61 -1.05 -1.26 -4.39 118.70 117.27 2jvm s GLU 35 Ca 0.00 0.06 -0.33 0.00 -0.15 0.00 0.00 54.97 54.56 2jvm s GLU 35 Cb 0.00 -1.68 -0.14 0.00 -0.44 0.00 0.00 34.13 31.86 2jvm s GLU 35 CO 0.00 -3.17 1.39 0.41 0.95 0.00 0.00 175.26 174.84 2jvm n GLY 36 N -1.46 0.69 4.31 -3.83 0.00 -1.26 -1.10 105.19 102.54 2jvm n GLY 36 Ca 0.11 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2jvm n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvm n ALA 37 N 2.21 0.00 0.09 4.61 0.00 -1.26 -4.64 120.51 121.52 2jvm n ALA 37 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.63 2jvm n ALA 37 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 2jvm n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jvm h LEU 38 N 0.00 0.00 0.00 0.00 7.12 -1.44 -3.47 115.31 117.52 2jvm h LEU 38 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jvm h LEU 38 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2jvm h LEU 38 CO 0.00 0.35 0.00 0.61 -0.13 0.00 0.00 178.44 179.27 2jvm n GLY 39 N 1.28 -1.90 3.44 3.75 0.00 -0.64 -4.28 105.19 106.83 2jvm n GLY 39 Ca -0.04 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2jvm n GLY 39 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jvm s HIS 40 N -0.90 0.62 0.31 1.61 -3.43 -0.80 -4.82 115.29 107.89 2jvm s HIS 40 Ca 0.00 -0.94 -0.27 0.00 -0.80 0.00 0.00 55.06 53.05 2jvm s HIS 40 Cb 0.00 -0.07 -0.14 0.00 -1.43 0.00 0.00 32.58 30.94 2jvm s HIS 40 CO 0.00 -0.85 0.99 -0.35 -2.00 0.00 0.00 174.74 172.53 2jvm n PRO 41 N -0.33 1.33 -1.98 -0.38 -0.04 -1.26 -4.16 135.00 128.18 2jvm n PRO 41 Ca -0.01 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.50 2jvm n PRO 41 Cb 0.63 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 2jvm n PRO 41 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jvm s ARG 42 N -1.61 4.18 0.22 0.54 3.52 -1.26 -4.72 118.95 119.83 2jvm s ARG 42 Ca 0.59 2.23 0.11 0.00 -0.13 0.00 0.00 55.73 58.54 2jvm s ARG 42 Cb -0.68 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 28.72 2jvm s ARG 42 CO 0.60 -0.83 -0.21 0.08 -0.81 0.00 0.00 175.30 174.12 2jvm s VAL 43 N 3.85 2.47 -0.37 7.11 1.01 0.29 -4.94 120.40 129.82 2jvm s VAL 43 Ca 0.74 -2.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 2jvm s VAL 43 Cb -0.35 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 33.87 2jvm s VAL 43 CO 0.31 -0.21 0.15 0.26 0.00 0.00 0.00 175.10 175.61 2jvm s TRP 44 N -1.95 3.31 0.26 5.22 0.52 -1.26 -0.42 118.94 124.62 2jvm s TRP 44 Ca 0.24 -1.57 0.07 0.00 0.02 0.00 0.00 56.10 54.86 2jvm s TRP 44 Cb -0.07 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 2jvm s TRP 44 CO 0.12 -0.79 0.21 -0.51 0.02 0.00 0.00 176.95 176.00 2jvm s LEU 45 N 1.38 3.77 -0.03 2.99 1.43 -0.15 -4.97 118.68 123.10 2jvm s LEU 45 Ca 0.00 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2jvm s LEU 45 Cb -0.21 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.72 2jvm s LEU 45 CO 0.02 -0.08 -0.01 -0.55 0.23 0.00 0.00 176.35 175.95 2jvm s SER 46 N -3.86 0.53 0.05 2.29 0.15 -1.26 -1.01 113.70 110.59 2jvm s SER 46 Ca 0.34 -0.05 -0.31 0.00 0.70 0.00 0.00 55.95 56.63 2jvm s SER 46 Cb -0.08 -0.27 -0.06 0.00 -1.71 0.00 0.00 66.02 63.91 2jvm s SER 46 CO 0.25 -0.08 1.22 -0.63 1.20 0.00 0.00 173.24 175.20 2jvm s ILE 47 N 0.96 3.98 -0.14 6.45 1.01 0.10 -4.95 121.20 128.61 2jvm s ILE 47 Ca -0.10 1.41 -0.37 0.00 0.00 0.00 0.00 60.65 61.59 2jvm s ILE 47 Cb -0.14 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.29 2jvm s ILE 47 CO -0.01 0.09 1.77 -2.65 0.00 0.00 0.00 174.94 174.14 2jvm n PRO 48 N 4.11 1.68 -1.61 2.79 -0.02 -1.26 -4.83 135.00 135.86 2jvm n PRO 48 Ca 0.09 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2jvm n PRO 48 Cb 0.46 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 2jvm n PRO 48 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2jvm n HIS 49 N 5.63 3.10 0.00 6.00 8.25 -1.26 -2.73 115.22 134.21 2jvm n HIS 49 Ca 0.24 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 55.08 2jvm n HIS 49 Cb 0.22 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 29.01 2jvm n HIS 49 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2jvm n GLU 50 N 6.49 0.00 0.00 -0.41 0.28 -1.26 -5.06 120.64 120.68 2jvm n GLU 50 Ca 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 2jvm n GLU 50 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 2jvm n GLU 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2jvm n THR 51 N -0.42 0.00 0.00 3.84 -2.24 -1.10 -5.07 114.28 109.29 2jvm n THR 51 Ca 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2jvm n THR 51 Cb 0.00 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 2.72 0.25 3.09 3.38 0.00 -1.25 -4.66 105.19 108.73 2jvm n GLY 52 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.03 0.72 0.00 1.61 -0.71 -1.26 0.50 117.98 117.81 2jvm s PHE 53 Ca 0.00 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 2jvm s PHE 53 Cb 0.00 -0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.38 2jvm s PHE 53 CO 0.00 -0.12 0.00 1.55 -1.34 0.00 0.00 175.22 175.31 2jvm n VAL 54 N 0.95 0.00 -4.72 -2.49 3.14 -0.94 -4.34 118.33 109.94 2jvm n VAL 54 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2jvm n VAL 54 Cb 0.57 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 2jvm n VAL 54 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jvm n GLU 55 N -2.27 0.00 -3.83 1.45 1.02 -1.26 -4.92 120.64 110.83 2jvm n GLU 55 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2jvm n GLU 55 Cb 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.45 2jvm n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jvm n GLY 57 N 3.19 5.59 1.73 0.00 0.00 -1.26 -4.28 105.19 110.16 2jvm n GLY 57 Ca -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.71 2jvm n GLY 57 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jvm n TYR 58 N -0.69 -1.68 -4.01 1.61 4.19 -1.26 -5.12 117.16 110.21 2jvm n TYR 58 Ca 0.58 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.57 2jvm n TYR 58 Cb 0.60 0.43 -0.04 0.00 0.49 0.00 0.00 39.34 40.82 2jvm n TYR 58 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2jvm n ASP 60 N -1.24 3.46 -4.71 0.00 5.75 -1.26 -4.26 116.55 114.30 2jvm n ASP 60 Ca -0.05 -2.19 -0.39 0.00 -0.01 0.00 0.00 54.79 52.15 2jvm n ASP 60 Cb 0.59 -0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2jvm s ARG 61 N -1.53 4.33 0.16 0.11 0.52 -1.26 -4.99 118.95 116.29 2jvm s ARG 61 Ca 0.39 0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 56.09 2jvm s ARG 61 Cb 0.23 -3.47 -0.07 0.00 0.52 0.00 0.00 34.95 32.16 2jvm s ARG 61 CO 0.22 0.04 0.50 0.50 0.02 0.00 0.00 175.30 176.59 2jvm s ARG 62 N 0.97 3.84 -0.04 3.54 3.52 -1.26 -3.54 118.95 125.98 2jvm s ARG 62 Ca 0.29 0.30 0.04 0.00 -0.13 0.00 0.00 55.73 56.23 2jvm s ARG 62 Cb -0.16 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.39 2jvm s ARG 62 CO 0.12 0.44 -0.14 0.71 -0.81 0.00 0.00 175.30 175.62 2jvm s TYR 63 N -1.59 1.44 -0.04 5.12 2.02 -1.26 -3.82 117.35 119.22 2jvm s TYR 63 Ca 0.40 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.74 2jvm s TYR 63 Cb -0.13 -0.99 -0.00 0.00 -0.40 0.00 0.00 41.96 40.44 2jvm s TYR 63 CO 0.20 -0.15 -0.14 0.42 -1.57 0.00 0.00 175.55 174.31 2jvm s ILE 64 N 0.12 1.19 0.41 2.71 1.01 -0.75 -2.22 121.20 123.67 2jvm s ILE 64 Ca -0.04 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 2jvm s ILE 64 Cb -0.11 -1.03 -0.11 0.00 0.01 0.00 0.00 42.46 41.23 2jvm s ILE 64 CO 0.02 0.35 0.96 -2.28 0.00 0.00 0.00 174.94 173.99 2jvm s HIS 65 N 0.12 3.36 0.50 3.97 5.65 0.18 -0.19 115.29 128.88 2jvm s HIS 65 Ca -0.04 1.64 0.23 0.00 0.25 0.00 0.00 55.06 57.14 2jvm s HIS 65 Cb -0.11 -2.89 1.31 0.00 -1.18 0.00 0.00 32.58 29.72 2jvm s HIS 65 CO 0.02 -0.12 1.97 1.05 -0.65 0.00 0.00 174.74 177.01 2jvm h GLU 66 N 2.14 0.10 -0.01 2.88 4.11 -1.15 -0.27 114.58 122.38 2jvm h GLU 66 Ca -0.49 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 58.78 2jvm h GLU 66 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2jvm h GLU 66 CO 0.62 0.07 -0.73 1.03 0.07 0.00 0.00 179.01 180.07 2jvm h SER 67 N 0.11 0.10 1.91 3.06 0.87 -1.85 -0.57 113.55 117.18 2jvm h SER 67 Ca 0.29 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2jvm h SER 67 Cb 1.00 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2jvm h SER 67 CO -0.03 0.79 -0.05 0.15 -0.53 0.00 0.00 176.83 177.16 2jvm h PHE 68 N 0.05 0.00 0.12 2.24 3.57 -1.34 -3.33 116.94 118.26 2jvm h PHE 68 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jvm h PHE 68 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2jvm h PHE 68 CO 0.01 0.05 -0.06 0.00 -2.23 0.00 0.00 178.31 176.08 2jvm h ALA 69 N 1.95 -0.16 0.00 2.41 0.00 -0.97 -3.48 119.26 119.00 2jvm h ALA 69 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jvm h ALA 69 Cb 1.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jvm h ALA 69 CO 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2jvm n ALA 70 N -2.73 0.00 -1.77 0.00 0.00 -0.60 -5.11 120.51 110.31 2jvm n ALA 70 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 2jvm n ALA 70 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm s ALA 71 N -0.68 3.15 0.02 0.00 0.00 -0.32 -4.95 121.76 118.98 2jvm s ALA 71 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.00 2jvm s ALA 71 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2jvm s ALA 71 CO 0.00 -0.55 -0.19 0.21 0.00 0.00 0.00 175.76 175.22 2jvm s LYS 72 N -2.32 1.37 -0.04 0.00 2.47 -1.26 -3.85 119.74 116.11 2jvm s LYS 72 Ca 0.57 -0.82 -0.10 0.00 -1.56 0.00 0.00 55.97 54.06 2jvm s LYS 72 Cb -0.31 -1.42 -0.05 0.00 -1.46 0.00 0.00 37.83 34.59 2jvm s LYS 72 CO 0.39 0.37 0.28 -0.51 0.16 0.00 0.00 175.35 176.04 2jvm s LEU 73 N -0.92 4.42 0.00 5.43 1.43 -1.26 -5.10 118.68 122.68 2jvm s LEU 73 Ca 0.07 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2jvm s LEU 73 Cb -0.08 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2jvm s LEU 73 CO 0.01 0.33 0.00 1.21 0.23 0.00 0.00 176.35 178.13 2jvm n GLU 74 N 1.68 1.70 -2.95 1.70 0.00 -1.26 -4.68 120.64 116.82 2jvm n GLU 74 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.79 2jvm n GLU 74 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 31.44 32.00 2jvm n GLU 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jvm n HIS 75 N -0.64 -1.85 1.68 4.31 8.25 -1.26 -4.85 115.22 120.86 2jvm n HIS 75 Ca 0.00 0.46 0.10 0.00 -0.26 0.00 0.00 57.72 58.02 2jvm n HIS 75 Cb 0.00 -4.40 0.49 0.00 1.12 0.00 0.00 29.99 27.21 2jvm n HIS 75 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jvm n HIS 76 N -4.44 0.08 -1.55 4.41 -0.00 -1.26 -4.82 115.22 107.64 2jvm n HIS 76 Ca -0.13 -0.04 -0.40 0.00 -0.00 0.00 0.00 57.72 57.15 2jvm n HIS 76 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.57 2jvm n HIS 76 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jvm n HIS 77 N -0.32 1.54 -4.18 1.57 -0.00 -1.26 -4.94 115.22 107.62 2jvm n HIS 77 Ca 0.15 0.08 -0.35 0.00 -0.00 0.00 0.00 57.72 57.61 2jvm n HIS 77 Cb 0.18 -2.64 -0.10 0.00 -0.00 0.00 0.00 29.99 27.44 2jvm n HIS 77 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jvm s HIS 78 N 10.33 3.21 0.09 1.57 2.46 -1.26 -5.09 115.29 126.60 2jvm s HIS 78 Ca 1.03 0.09 -0.26 0.00 0.47 0.00 0.00 55.06 56.39 2jvm s HIS 78 Cb -0.38 -1.95 -0.06 0.00 -0.13 0.00 0.00 32.58 30.06 2jvm s HIS 78 CO 0.33 0.28 0.81 -1.58 -2.47 0.00 0.00 174.74 172.10 2jvm s HIS 79 N -0.17 3.79 -2.53 3.88 2.46 -1.26 -5.30 115.29 116.16 2jvm s HIS 79 Ca 0.06 1.57 0.28 0.00 0.47 0.00 0.00 55.06 57.44 2jvm s HIS 79 Cb -0.12 -2.85 0.99 0.00 -0.13 0.00 0.00 32.58 30.47 2jvm s HIS 79 CO 0.02 0.32 1.71 1.58 -2.47 0.00 0.00 174.74 175.90