#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 0.27 -0.06 0.03 6.06 -1.26 -5.03 118.95 118.96 2jvm s ARG 2 Ca 0.00 0.50 -0.02 0.00 -2.50 0.00 0.00 55.73 53.71 2jvm s ARG 2 Cb 0.00 -0.59 -0.04 0.00 0.06 0.00 0.00 34.95 34.37 2jvm s ARG 2 CO 0.00 -0.58 2.47 0.54 -2.50 0.00 0.00 175.30 175.24 2jvm n ARG 3 N 5.35 1.43 -2.46 5.12 1.74 -1.26 -4.89 116.66 121.69 2jvm n ARG 3 Ca -0.05 -0.57 -0.38 0.00 -0.77 0.00 0.00 57.85 56.08 2jvm n ARG 3 Cb 0.50 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 2jvm n ARG 3 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2jvm s GLN 4 N -0.04 4.31 -0.69 5.56 0.74 -1.26 -4.88 119.66 123.39 2jvm s GLN 4 Ca 0.24 1.69 -0.38 0.00 0.05 0.00 0.00 55.36 56.96 2jvm s GLN 4 Cb 0.13 -2.80 -0.20 0.00 1.10 0.00 0.00 33.01 31.24 2jvm s GLN 4 CO -0.01 -0.05 2.37 -2.30 -0.55 0.00 0.00 175.29 174.74 2jvm n PRO 5 N 0.41 0.05 -1.88 1.67 -0.01 -1.26 -4.84 135.00 129.14 2jvm n PRO 5 Ca 0.03 0.01 -0.41 0.00 -0.01 0.00 0.00 63.50 63.12 2jvm n PRO 5 Cb 0.47 -1.56 -0.01 0.00 -0.01 0.00 0.00 33.50 32.39 2jvm n PRO 5 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 175.50 173.90 2jvm s LYS 6 N 7.23 4.17 -0.33 -0.52 -2.85 -1.26 -4.83 119.74 121.35 2jvm s LYS 6 Ca 1.26 2.48 -0.28 0.00 -1.00 0.00 0.00 55.97 58.43 2jvm s LYS 6 Cb -1.36 -3.00 -0.06 0.00 -2.06 0.00 0.00 37.83 31.34 2jvm s LYS 6 CO 0.58 -0.45 2.30 2.41 0.10 0.00 0.00 175.35 180.29 2jvm n THR 7 N 0.72 0.17 -3.26 3.79 -1.04 -1.26 -4.88 114.28 108.52 2jvm n THR 7 Ca 0.01 -0.57 -0.45 0.00 -2.04 0.00 0.00 64.05 61.00 2jvm n THR 7 Cb 0.40 -2.58 0.00 0.00 -1.82 0.00 0.00 70.33 66.33 2jvm n THR 7 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jvm n ARG 8 N 8.83 3.58 -0.74 -2.82 1.74 -1.26 -4.79 116.66 121.20 2jvm n ARG 8 Ca 0.34 -4.38 0.04 0.00 -0.77 0.00 0.00 57.85 53.07 2jvm n ARG 8 Cb 0.47 -2.61 0.31 0.00 -1.02 0.00 0.00 32.46 29.60 2jvm n ARG 8 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2jvm n GLN 9 N 2.97 3.56 -2.99 5.56 0.00 -1.26 -4.88 117.38 120.34 2jvm n GLN 9 Ca 0.26 -3.03 -0.44 0.00 -0.00 0.00 0.00 57.00 53.80 2jvm n GLN 9 Cb 0.39 -2.05 -0.04 0.00 0.00 0.00 0.00 30.24 28.54 2jvm n GLN 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2jvm s GLU 10 N -2.90 3.10 -0.02 3.69 2.12 -1.26 -4.85 118.70 118.57 2jvm s GLU 10 Ca 0.49 -0.99 0.19 0.00 0.36 0.00 0.00 54.97 55.02 2jvm s GLU 10 Cb 0.39 -4.22 0.57 0.00 0.26 0.00 0.00 34.13 31.14 2jvm s GLU 10 CO 0.11 -1.63 1.48 0.45 -0.54 0.00 0.00 175.26 175.14 2jvm n SER 11 N 7.00 3.84 -3.76 -1.70 2.88 -1.26 -4.90 113.62 115.70 2jvm n SER 11 Ca -0.06 -2.11 -0.13 0.00 -1.33 0.00 0.00 58.87 55.25 2jvm n SER 11 Cb 0.44 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 2jvm n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jvm s ALA 12 N -1.20 -0.53 -0.26 -1.46 0.00 -1.26 -5.12 121.76 111.93 2jvm s ALA 12 Ca 0.43 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2jvm s ALA 12 Cb 0.24 -0.49 0.07 0.00 0.00 0.00 0.00 23.12 22.94 2jvm s ALA 12 CO 0.27 -0.15 -0.05 -0.98 0.00 0.00 0.00 175.76 174.85 2jvm s ARG 13 N 0.70 1.77 -0.39 0.00 1.70 -1.26 -5.08 118.95 116.39 2jvm s ARG 13 Ca -0.05 -1.23 -0.05 0.00 -0.47 0.00 0.00 55.73 53.93 2jvm s ARG 13 Cb -0.06 -2.75 0.09 0.00 -0.57 0.00 0.00 34.95 31.66 2jvm s ARG 13 CO -0.04 -0.65 0.19 -1.64 -1.08 0.00 0.00 175.30 172.08 2jvm s MET 14 N 1.24 2.28 -1.25 3.89 -1.94 -1.26 -5.02 119.30 117.24 2jvm s MET 14 Ca -0.04 -1.61 -0.17 0.00 -1.71 0.00 0.00 55.69 52.16 2jvm s MET 14 Cb -0.19 -3.58 0.09 0.00 2.01 0.00 0.00 34.83 33.16 2jvm s MET 14 CO -0.07 -0.96 1.63 -1.12 -0.01 0.00 0.00 175.02 174.50 2jvm s SER 15 N 1.84 6.87 0.56 3.03 0.01 -1.26 -4.97 113.70 119.78 2jvm s SER 15 Ca 0.04 -2.50 -0.02 0.00 1.31 0.00 0.00 55.95 54.77 2jvm s SER 15 Cb -0.22 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.49 2jvm s SER 15 CO -0.02 -1.09 0.83 -0.63 0.41 0.00 0.00 173.24 172.74 2jvm s ILE 16 N 3.61 3.24 -1.04 1.44 1.01 -1.26 -4.97 121.20 123.24 2jvm s ILE 16 Ca 0.50 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 2jvm s ILE 16 Cb 0.02 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2jvm s ILE 16 CO 0.04 -0.23 1.79 -0.70 0.00 0.00 0.00 174.94 175.85 2jvm s GLU 17 N -4.86 2.99 -0.21 2.79 2.56 -1.26 -4.25 118.70 116.47 2jvm s GLU 17 Ca 0.54 -0.90 -0.00 0.00 0.00 0.00 0.00 54.97 54.61 2jvm s GLU 17 Cb -0.10 -5.24 0.00 0.00 2.00 0.00 0.00 34.13 30.79 2jvm s GLU 17 CO 0.41 -3.06 0.01 0.00 -0.56 0.00 0.00 175.26 172.07 2jvm n ALA 18 N 12.03 -3.35 -1.45 6.30 0.00 -1.26 -5.04 120.51 127.73 2jvm n ALA 18 Ca 0.40 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.96 2jvm n ALA 18 Cb 0.48 -0.83 0.21 0.00 0.00 0.00 0.00 19.45 19.30 2jvm n ALA 18 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jvm s PRO 19 N -1.11 -0.22 -0.43 0.00 0.04 -1.26 -4.89 135.00 127.13 2jvm s PRO 19 Ca -0.01 -0.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.62 2jvm s PRO 19 Cb 0.00 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.76 2jvm s PRO 19 CO 0.54 -3.03 2.32 -1.21 0.04 0.00 0.00 177.00 175.66 2jvm s GLU 20 N -5.56 2.39 -0.29 4.56 0.41 -1.26 -4.91 118.70 114.04 2jvm s GLU 20 Ca 0.71 1.51 0.03 0.00 -0.41 0.00 0.00 54.97 56.81 2jvm s GLU 20 Cb -0.08 -4.52 0.07 0.00 -1.78 0.00 0.00 34.13 27.82 2jvm s GLU 20 CO 0.55 -2.95 -0.06 0.99 -0.49 0.00 0.00 175.26 173.30 2jvm s THR 21 N 11.02 2.28 -0.33 3.63 2.01 -1.26 -4.62 115.64 128.37 2jvm s THR 21 Ca 0.96 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 61.19 2jvm s THR 21 Cb -0.21 -2.43 0.10 0.00 0.01 0.00 0.00 72.50 69.97 2jvm s THR 21 CO 0.28 -0.19 0.05 -0.69 -0.69 0.00 0.00 174.62 173.38 2jvm s VAL 22 N 1.06 2.03 -0.17 3.82 1.01 -1.25 -5.08 120.40 121.83 2jvm s VAL 22 Ca -0.04 -2.14 -0.17 0.00 0.00 0.00 0.00 61.98 59.64 2jvm s VAL 22 Cb -0.20 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2jvm s VAL 22 CO -0.05 -0.58 0.43 -0.69 0.00 0.00 0.00 175.10 174.21 2jvm s VAL 23 N 1.04 5.19 0.05 2.92 1.01 -1.26 -1.23 120.40 128.12 2jvm s VAL 23 Ca 0.10 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2jvm s VAL 23 Cb -0.19 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2jvm s VAL 23 CO -0.11 0.28 -0.06 0.68 0.00 0.00 0.00 175.10 175.90 2jvm s VAL 24 N 1.01 0.47 -1.89 2.92 -7.23 -0.33 -4.91 120.40 110.43 2jvm s VAL 24 Ca 0.22 -1.34 0.20 0.00 -1.81 0.00 0.00 61.98 59.24 2jvm s VAL 24 Cb -0.15 -0.92 0.48 0.00 0.56 0.00 0.00 36.38 36.36 2jvm s VAL 24 CO 0.08 -0.59 1.41 -1.20 -0.31 0.00 0.00 175.10 174.49 2jvm n SER 25 N 0.96 3.51 -4.65 4.85 7.64 -1.26 -1.81 113.62 122.86 2jvm n SER 25 Ca -0.19 -1.97 -0.35 0.00 1.01 0.00 0.00 58.87 57.37 2jvm n SER 25 Cb 0.57 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 2jvm n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jvm s THR 26 N -1.15 4.47 -0.16 0.44 2.01 -1.26 -5.02 115.64 114.97 2jvm s THR 26 Ca 0.39 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2jvm s THR 26 Cb 0.21 -2.94 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 2jvm s THR 26 CO 0.28 0.54 0.01 -0.50 -0.69 0.00 0.00 174.62 174.27 2jvm h TRP 27 N 5.90 0.00 -3.57 4.92 4.06 -1.92 -3.44 115.95 121.89 2jvm h TRP 27 Ca -0.43 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 59.94 2jvm h TRP 27 Cb 1.19 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.27 2jvm h TRP 27 CO 0.60 0.55 0.77 0.15 -3.56 0.00 0.00 178.44 176.95 2jvm s LYS 28 N -2.22 3.78 -0.03 0.49 1.02 -1.26 -0.21 119.74 121.31 2jvm s LYS 28 Ca -0.18 0.59 0.06 0.00 0.02 0.00 0.00 55.97 56.46 2jvm s LYS 28 Cb 0.03 -3.85 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 2jvm s LYS 28 CO 0.35 -1.16 -0.23 0.14 -0.92 0.00 0.00 175.35 173.53 2jvm s VAL 29 N 3.93 1.84 -0.61 3.17 -7.23 0.86 -4.95 120.40 117.42 2jvm s VAL 29 Ca 0.43 -0.97 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 2jvm s VAL 29 Cb -0.10 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.38 2jvm s VAL 29 CO 0.24 0.52 0.82 0.00 -0.31 0.00 0.00 175.10 176.38 2jvm s ALA 30 N -0.36 3.26 0.21 1.32 0.00 -1.26 -0.42 121.76 124.52 2jvm s ALA 30 Ca 0.04 -1.94 -0.22 0.00 0.00 0.00 0.00 51.96 49.83 2jvm s ALA 30 Cb -0.11 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.26 2jvm s ALA 30 CO 0.01 -2.50 0.76 0.00 0.00 0.00 0.00 175.76 174.03 2jvm n ASP 32 N 1.02 0.52 0.00 0.00 2.03 -1.26 -0.37 116.55 118.49 2jvm n ASP 32 Ca -0.03 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.19 2jvm n ASP 32 Cb 0.50 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.12 0.49 0.00 0.27 0.00 -1.25 -3.43 105.19 101.39 2jvm n GLY 33 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.18 3.24 -0.02 0.00 0.14 -4.98 105.19 104.76 2jvm n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2jvm n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jvm n GLU 35 N 0.00 -1.14 -1.64 1.61 4.71 -1.26 -4.89 120.64 118.03 2jvm n GLU 35 Ca 0.00 -1.73 -0.43 0.00 -0.01 0.00 0.00 57.16 54.99 2jvm n GLU 35 Cb 0.00 -1.16 -0.03 0.00 -1.01 0.00 0.00 31.44 29.24 2jvm n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jvm n GLY 36 N -2.36 1.52 2.60 0.62 0.00 -1.26 -1.06 105.19 105.25 2jvm n GLY 36 Ca 0.14 0.81 -0.08 0.00 0.00 0.00 0.00 46.02 46.89 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 9.10 -0.12 -3.16 4.61 0.00 -1.22 -4.93 120.51 124.79 2jvm n ALA 37 Ca 0.24 0.12 -0.45 0.00 0.00 0.00 0.00 53.44 53.35 2jvm n ALA 37 Cb 0.42 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2jvm n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jvm s LEU 38 N -1.74 5.95 0.00 0.00 1.98 -0.22 -4.30 118.68 120.35 2jvm s LEU 38 Ca 0.00 -2.73 0.00 0.00 -2.89 0.00 0.00 54.13 48.51 2jvm s LEU 38 Cb 0.00 -2.29 0.00 0.00 0.66 0.00 0.00 46.19 44.56 2jvm s LEU 38 CO 0.00 -0.68 0.00 0.61 -1.89 0.00 0.00 176.35 174.39 2jvm n GLY 39 N 4.18 3.06 3.50 7.98 0.00 -1.26 0.23 105.19 122.88 2jvm n GLY 39 Ca 0.22 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -0.36 1.17 1.61 -3.43 -1.26 -4.97 115.29 108.04 2jvm s HIS 40 Ca 0.00 0.21 -0.14 0.00 -0.80 0.00 0.00 55.06 54.33 2jvm s HIS 40 Cb 0.00 0.55 0.28 0.00 -1.43 0.00 0.00 32.58 31.97 2jvm s HIS 40 CO 0.00 -0.60 1.04 -2.14 -2.00 0.00 0.00 174.74 171.04 2jvm s PRO 41 N -3.21 -0.94 -0.06 -0.38 0.02 -1.26 -3.87 135.00 125.30 2jvm s PRO 41 Ca 0.05 0.58 -0.30 0.00 0.02 0.00 0.00 61.00 61.35 2jvm s PRO 41 Cb -0.01 -1.57 -0.06 0.00 0.02 0.00 0.00 34.50 32.88 2jvm s PRO 41 CO -0.09 -3.67 1.69 0.50 -0.33 0.00 0.00 177.00 175.10 2jvm s ARG 42 N -4.72 4.12 0.16 5.54 3.52 -1.25 -4.52 118.95 121.80 2jvm s ARG 42 Ca 0.68 2.18 0.11 0.00 -0.13 0.00 0.00 55.73 58.56 2jvm s ARG 42 Cb -0.21 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.12 2jvm s ARG 42 CO 0.62 -0.93 -0.24 0.08 -0.81 0.00 0.00 175.30 174.02 2jvm s VAL 43 N 4.28 2.39 -0.39 7.11 1.01 0.50 -4.95 120.40 130.36 2jvm s VAL 43 Ca 0.75 -1.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.70 2jvm s VAL 43 Cb -0.33 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2jvm s VAL 43 CO 0.31 -0.02 0.37 0.26 0.00 0.00 0.00 175.10 176.01 2jvm s TRP 44 N -1.41 3.20 0.32 5.22 0.52 -1.26 -0.60 118.94 124.93 2jvm s TRP 44 Ca 0.18 -0.28 0.09 0.00 0.02 0.00 0.00 56.10 56.11 2jvm s TRP 44 Cb -0.09 -2.72 -0.05 0.00 -1.15 0.00 0.00 33.47 29.46 2jvm s TRP 44 CO 0.09 -0.56 0.03 -0.51 0.02 0.00 0.00 176.95 176.02 2jvm s LEU 45 N 1.97 3.11 -0.07 2.99 1.43 0.44 -4.97 118.68 123.58 2jvm s LEU 45 Ca 0.10 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2jvm s LEU 45 Cb -0.17 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.53 2jvm s LEU 45 CO 0.12 -0.17 0.07 -0.55 0.23 0.00 0.00 176.35 176.05 2jvm s SER 46 N -3.73 1.40 -0.02 2.29 0.15 -1.26 -0.10 113.70 112.43 2jvm s SER 46 Ca 0.34 -0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.63 2jvm s SER 46 Cb -0.03 -0.15 -0.06 0.00 -1.71 0.00 0.00 66.02 64.08 2jvm s SER 46 CO 0.20 -0.27 1.52 -0.63 1.20 0.00 0.00 173.24 175.26 2jvm s ILE 47 N 2.17 3.61 0.13 6.45 1.01 0.71 -4.94 121.20 130.33 2jvm s ILE 47 Ca 0.04 0.90 -0.35 0.00 0.00 0.00 0.00 60.65 61.24 2jvm s ILE 47 Cb -0.13 -3.58 -0.16 0.00 0.01 0.00 0.00 42.46 38.61 2jvm s ILE 47 CO -0.04 -0.04 1.36 -0.81 0.00 0.00 0.00 174.94 175.41 2jvm n PRO 48 N 6.14 1.45 0.00 2.79 -0.04 -1.26 -4.83 135.00 139.26 2jvm n PRO 48 Ca 0.15 0.52 0.05 0.00 -0.04 0.00 0.00 63.50 64.19 2jvm n PRO 48 Cb 0.43 -2.16 0.32 0.00 -0.04 0.00 0.00 33.50 32.04 2jvm n PRO 48 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2jvm n HIS 49 N 2.45 0.00 0.00 0.54 -0.00 -1.26 -2.16 115.22 114.79 2jvm n HIS 49 Ca 0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.35 2jvm n HIS 49 Cb 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2jvm n HIS 49 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2jvm n GLU 50 N -0.67 1.64 0.01 1.57 0.28 -1.26 -4.80 120.64 117.41 2jvm n GLU 50 Ca 0.08 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.86 2jvm n GLU 50 Cb 0.04 -0.90 -0.14 0.00 1.43 0.00 0.00 31.44 31.87 2jvm n GLU 50 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2jvm h THR 51 N 0.00 0.98 0.00 3.84 1.35 -1.95 -3.49 112.91 113.64 2jvm h THR 51 Ca 0.00 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 2jvm h THR 51 Cb 0.80 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 2jvm h THR 51 CO 0.00 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 2jvm n GLY 52 N 1.76 0.70 3.24 5.82 0.00 -0.92 -4.98 105.19 110.81 2jvm n GLY 52 Ca -0.26 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.07 -0.06 1.61 -0.71 -1.26 -0.87 117.98 114.62 2jvm s PHE 53 Ca 0.00 -0.07 -0.04 0.00 -1.04 0.00 0.00 56.93 55.78 2jvm s PHE 53 Cb 0.00 0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.91 2jvm s PHE 53 CO 0.00 -0.49 0.15 0.54 -1.34 0.00 0.00 175.22 174.08 2jvm s VAL 54 N -2.52 -0.02 -0.31 -2.49 0.11 0.32 -4.46 120.40 111.02 2jvm s VAL 54 Ca -0.05 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 2jvm s VAL 54 Cb -0.01 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2jvm s VAL 54 CO -0.03 0.03 0.16 -1.61 -3.33 0.00 0.00 175.10 170.32 2jvm s GLU 55 N 0.58 3.36 -0.36 1.54 2.02 -1.26 -0.53 118.70 124.05 2jvm s GLU 55 Ca -0.04 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 2jvm s GLU 55 Cb -0.06 -3.58 -0.07 0.00 0.10 0.00 0.00 34.13 30.52 2jvm s GLU 55 CO -0.03 -0.41 2.32 0.00 0.02 0.00 0.00 175.26 177.16 2jvm n GLY 57 N 5.94 3.11 0.93 0.00 0.00 -1.26 -3.11 105.19 110.82 2jvm n GLY 57 Ca 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.61 -0.55 0.00 1.61 4.19 -1.26 -5.04 117.16 117.72 2jvm n TYR 58 Ca 0.25 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.46 2jvm n TYR 58 Cb 0.66 0.23 0.00 0.00 0.49 0.00 0.00 39.34 40.73 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 -0.96 0.00 -4.76 0.00 2.03 -1.18 -5.05 116.55 106.64 2jvm n ASP 60 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 2jvm n ASP 60 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2jvm s ARG 61 N 0.00 3.36 -0.07 -0.67 3.52 -1.26 -4.48 118.95 119.35 2jvm s ARG 61 Ca 0.00 2.34 -0.03 0.00 -0.13 0.00 0.00 55.73 57.91 2jvm s ARG 61 Cb 0.00 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 2jvm s ARG 61 CO 0.00 -1.05 0.08 0.50 -0.81 0.00 0.00 175.30 174.02 2jvm s ARG 62 N -2.72 3.18 0.04 5.12 3.52 -1.26 -2.01 118.95 124.83 2jvm s ARG 62 Ca 0.67 -0.34 0.09 0.00 -0.13 0.00 0.00 55.73 56.02 2jvm s ARG 62 Cb -0.42 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 2jvm s ARG 62 CO 0.52 0.71 -0.25 0.71 -0.81 0.00 0.00 175.30 176.18 2jvm s TYR 63 N -1.06 2.16 0.01 5.12 1.51 0.31 -3.86 117.35 121.54 2jvm s TYR 63 Ca 0.18 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2jvm s TYR 63 Cb -0.12 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2jvm s TYR 63 CO 0.08 0.11 0.04 -1.50 -1.11 0.00 0.00 175.55 173.16 2jvm s ILE 64 N -0.79 0.08 0.43 2.71 2.07 -0.37 -0.52 121.20 124.80 2jvm s ILE 64 Ca 0.10 -0.63 -0.22 0.00 -1.41 0.00 0.00 60.65 58.49 2jvm s ILE 64 Cb -0.10 -0.27 -0.10 0.00 0.13 0.00 0.00 42.46 42.13 2jvm s ILE 64 CO 0.02 -0.35 0.99 -2.28 -1.91 0.00 0.00 174.94 171.41 2jvm s HIS 65 N -1.09 3.27 0.45 3.50 5.65 -0.05 -1.19 115.29 125.84 2jvm s HIS 65 Ca -0.12 1.63 0.13 0.00 0.25 0.00 0.00 55.06 56.95 2jvm s HIS 65 Cb -0.07 -2.97 1.04 0.00 -1.18 0.00 0.00 32.58 29.40 2jvm s HIS 65 CO -0.00 -0.36 2.04 1.05 -0.65 0.00 0.00 174.74 176.82 2jvm h GLU 66 N 2.09 0.34 -0.08 2.88 -0.00 -1.69 -0.84 114.58 117.28 2jvm h GLU 66 Ca -0.49 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.36 58.75 2jvm h GLU 66 Cb 1.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.86 2jvm h GLU 66 CO 0.61 0.23 -0.41 1.03 -0.00 0.00 0.00 179.01 180.47 2jvm h SER 67 N 0.36 0.18 0.12 3.06 0.87 -1.92 -1.02 113.55 115.19 2jvm h SER 67 Ca 0.18 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2jvm h SER 67 Cb 0.25 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2jvm h SER 67 CO -0.04 0.58 -0.58 0.49 -0.53 0.00 0.00 176.83 176.75 2jvm n PHE 68 N -4.03 0.00 -0.04 2.24 3.72 -0.51 -4.12 117.46 114.72 2jvm n PHE 68 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 2jvm n PHE 68 Cb 0.47 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.77 1.01 -0.06 4.37 0.00 -0.44 -4.92 120.51 119.71 2jvm n ALA 69 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 2jvm n ALA 69 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 2jvm n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm h ALA 70 N -1.12 0.00 -0.79 0.00 0.00 -1.43 -3.48 119.26 112.44 2jvm h ALA 70 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jvm h ALA 70 Cb 0.49 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jvm h ALA 70 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2jvm n ALA 71 N -3.38 0.00 -0.90 0.00 0.00 -1.12 -4.46 120.51 110.65 2jvm n ALA 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jvm n ALA 71 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2jvm n ALA 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jvm n LYS 72 N 0.00 0.00 -4.28 0.00 4.01 -1.26 -5.08 118.16 111.55 2jvm n LYS 72 Ca 0.00 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.59 2jvm n LYS 72 Cb 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.40 2jvm n LYS 72 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jvm s LEU 73 N -2.30 2.38 0.01 -0.35 1.43 -1.26 -5.06 118.68 113.53 2jvm s LEU 73 Ca 0.00 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.19 2jvm s LEU 73 Cb 0.00 -0.75 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 2jvm s LEU 73 CO 0.00 -0.04 1.05 -0.33 0.23 0.00 0.00 176.35 177.26 2jvm h GLU 74 N 3.62 -0.46 -4.57 1.70 4.39 -2.01 -3.47 114.58 113.79 2jvm h GLU 74 Ca -0.43 0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.08 2jvm h GLU 74 Cb 1.20 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.80 2jvm h GLU 74 CO 0.47 -0.31 -0.65 -1.01 -1.16 0.00 0.00 179.01 176.35 2jvm s HIS 75 N -3.78 1.00 -0.56 4.33 3.76 -1.26 -5.09 115.29 113.69 2jvm s HIS 75 Ca -0.07 -1.15 -0.27 0.00 -0.15 0.00 0.00 55.06 53.42 2jvm s HIS 75 Cb 0.01 -0.57 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 2jvm s HIS 75 CO 0.21 -0.39 1.66 -1.58 -0.85 0.00 0.00 174.74 173.79 2jvm s HIS 76 N -3.89 1.94 0.30 1.40 2.46 -1.26 -4.94 115.29 111.30 2jvm s HIS 76 Ca 0.24 0.60 -0.29 0.00 0.47 0.00 0.00 55.06 56.07 2jvm s HIS 76 Cb 0.07 -4.23 -0.13 0.00 -0.13 0.00 0.00 32.58 28.16 2jvm s HIS 76 CO 0.02 -2.28 1.35 -2.39 -2.47 0.00 0.00 174.74 168.97 2jvm n HIS 77 N 11.05 2.28 -3.98 3.88 1.44 -1.26 -4.99 115.22 123.63 2jvm n HIS 77 Ca 0.17 0.49 -0.30 0.00 -2.01 0.00 0.00 57.72 56.07 2jvm n HIS 77 Cb 0.50 -2.44 -0.16 0.00 0.12 0.00 0.00 29.99 28.00 2jvm n HIS 77 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jvm s HIS 78 N -0.67 2.16 0.15 -1.40 2.46 -1.26 -5.11 115.29 111.62 2jvm s HIS 78 Ca 0.60 -1.32 -0.31 0.00 0.47 0.00 0.00 55.06 54.50 2jvm s HIS 78 Cb -0.59 -1.55 -0.09 0.00 -0.13 0.00 0.00 32.58 30.22 2jvm s HIS 78 CO 0.57 -0.68 1.44 -1.58 -2.47 0.00 0.00 174.74 172.02 2jvm s HIS 79 N 1.49 3.18 -2.89 3.88 2.46 -1.26 -5.30 115.29 116.84 2jvm s HIS 79 Ca 0.02 0.88 0.23 0.00 0.47 0.00 0.00 55.06 56.66 2jvm s HIS 79 Cb -0.14 -3.76 0.18 0.00 -0.13 0.00 0.00 32.58 28.73 2jvm s HIS 79 CO -0.09 -2.68 1.23 -2.39 -2.47 0.00 0.00 174.74 168.34