#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 0.00 -3.43 0.03 1.74 -1.26 -4.79 116.66 108.95 2jvm n ARG 2 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 2jvm n ARG 2 Cb 0.00 -0.04 -0.08 0.00 -1.02 0.00 0.00 32.46 31.32 2jvm n ARG 2 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jvm s ARG 3 N 0.00 2.85 0.20 5.56 0.52 -1.26 -5.05 118.95 121.77 2jvm s ARG 3 Ca 0.00 -1.51 0.06 0.00 -0.52 0.00 0.00 55.73 53.76 2jvm s ARG 3 Cb 0.00 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 2jvm s ARG 3 CO 0.00 -1.11 -0.09 -0.65 0.02 0.00 0.00 175.30 173.47 2jvm s GLN 4 N 1.55 1.28 -0.33 3.54 1.11 -1.26 -5.09 119.66 120.47 2jvm s GLN 4 Ca 0.04 -1.60 -0.30 0.00 0.01 0.00 0.00 55.36 53.51 2jvm s GLN 4 Cb -0.26 -0.87 -0.08 0.00 -1.01 0.00 0.00 33.01 30.79 2jvm s GLN 4 CO 0.04 0.07 2.26 -2.30 0.01 0.00 0.00 175.29 175.37 2jvm n PRO 5 N -0.36 1.45 -4.01 2.91 -0.02 -1.26 -4.94 135.00 128.76 2jvm n PRO 5 Ca -0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 2jvm n PRO 5 Cb 0.62 -2.95 -0.15 0.00 -0.02 0.00 0.00 33.50 30.99 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 6.73 3.18 -0.30 -0.52 2.20 -1.26 -5.07 119.74 124.70 2jvm s LYS 6 Ca 1.05 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 55.89 2jvm s LYS 6 Cb -0.52 -2.79 0.17 0.00 -1.51 0.00 0.00 37.83 33.19 2jvm s LYS 6 CO 0.39 -0.21 0.61 -0.08 -0.36 0.00 0.00 175.35 175.70 2jvm s THR 7 N 1.38 -0.99 0.00 3.43 -1.32 -1.26 -5.15 115.64 111.73 2jvm s THR 7 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2jvm s THR 7 Cb -0.14 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2jvm s THR 7 CO -0.08 -0.00 0.00 0.54 -2.21 0.00 0.00 174.62 172.87 2jvm n ARG 8 N 5.43 0.00 -4.38 7.08 1.74 -1.26 -4.91 116.66 120.37 2jvm n ARG 8 Ca -0.04 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.85 2jvm n ARG 8 Cb 0.50 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.79 2jvm n ARG 8 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jvm s GLN 9 N 0.00 0.80 -0.37 5.56 -0.21 -1.26 -5.11 119.66 119.07 2jvm s GLN 9 Ca 0.00 -0.32 -0.09 0.00 0.02 0.00 0.00 55.36 54.97 2jvm s GLN 9 Cb 0.00 -0.77 0.05 0.00 1.00 0.00 0.00 33.01 33.28 2jvm s GLN 9 CO 0.00 0.17 0.18 -2.00 -2.12 0.00 0.00 175.29 171.53 2jvm s GLU 10 N -0.10 2.68 -0.30 2.91 2.12 -1.26 -5.03 118.70 119.72 2jvm s GLU 10 Ca 0.02 -1.22 -0.02 0.00 0.36 0.00 0.00 54.97 54.11 2jvm s GLU 10 Cb -0.05 -3.64 0.19 0.00 0.26 0.00 0.00 34.13 30.89 2jvm s GLU 10 CO -0.00 -0.76 0.60 0.45 -0.54 0.00 0.00 175.26 175.02 2jvm s SER 11 N 1.64 -1.37 -0.69 -1.70 0.15 -1.26 -5.02 113.70 105.45 2jvm s SER 11 Ca 0.01 0.93 -0.02 0.00 0.70 0.00 0.00 55.95 57.57 2jvm s SER 11 Cb -0.20 2.18 0.33 0.00 -1.71 0.00 0.00 66.02 66.62 2jvm s SER 11 CO 0.04 -0.26 2.13 0.00 1.20 0.00 0.00 173.24 176.35 2jvm n ALA 12 N 5.43 6.33 -0.78 5.45 0.00 -1.26 -4.97 120.51 130.71 2jvm n ALA 12 Ca -0.02 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.88 2jvm n ALA 12 Cb 0.51 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.41 -2.19 -1.39 0.00 0.63 -1.26 -4.61 116.66 107.43 2jvm n ARG 13 Ca 0.54 1.65 -0.39 0.00 -0.92 0.00 0.00 57.85 58.73 2jvm n ARG 13 Cb 0.45 -1.91 -0.02 0.00 0.45 0.00 0.00 32.46 31.43 2jvm n ARG 13 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 2jvm n MET 14 N -1.25 3.10 -3.59 -0.14 2.81 -1.26 -4.71 117.12 112.08 2jvm n MET 14 Ca 0.00 -2.24 -0.29 0.00 -1.81 0.00 0.00 57.70 53.36 2jvm n MET 14 Cb 0.06 -2.94 -0.14 0.00 -0.71 0.00 0.00 33.22 29.48 2jvm n MET 14 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jvm s SER 15 N 2.84 3.58 0.14 7.83 0.15 -1.26 -5.13 113.70 121.85 2jvm s SER 15 Ca 0.58 -1.61 0.11 0.00 0.70 0.00 0.00 55.95 55.73 2jvm s SER 15 Cb 0.16 -0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 2jvm s SER 15 CO -0.06 -0.40 -0.27 -0.63 1.20 0.00 0.00 173.24 173.09 2jvm s ILE 16 N 1.70 2.27 -0.23 6.45 1.09 -1.26 -5.04 121.20 126.17 2jvm s ILE 16 Ca 0.11 -1.79 0.23 0.00 -1.10 0.00 0.00 60.65 58.09 2jvm s ILE 16 Cb -0.18 -2.02 0.49 0.00 -1.06 0.00 0.00 42.46 39.70 2jvm s ILE 16 CO -0.25 0.06 1.14 -0.62 -0.10 0.00 0.00 174.94 175.17 2jvm n GLU 17 N 0.83 1.52 -1.90 2.79 1.02 -1.26 -5.11 120.64 118.52 2jvm n GLU 17 Ca -0.17 -3.22 -0.37 0.00 -0.02 0.00 0.00 57.16 53.38 2jvm n GLU 17 Cb 0.53 -1.33 0.04 0.00 -0.02 0.00 0.00 31.44 30.67 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jvm s ALA 18 N -3.19 2.62 0.67 0.62 0.00 -1.26 -4.97 121.76 116.26 2jvm s ALA 18 Ca 0.27 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 2jvm s ALA 18 Cb 0.33 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2jvm s ALA 18 CO -0.06 -1.28 1.25 -1.25 0.00 0.00 0.00 175.76 174.42 2jvm s PRO 19 N -3.16 2.46 0.09 0.00 0.04 -1.26 -4.89 135.00 128.27 2jvm s PRO 19 Ca 0.76 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 63.38 2jvm s PRO 19 Cb -0.35 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 2jvm s PRO 19 CO 0.39 -1.63 1.73 0.39 0.04 0.00 0.00 177.00 177.92 2jvm n GLU 20 N -2.16 2.38 -2.99 4.56 1.02 -1.26 -4.47 120.64 117.72 2jvm n GLU 20 Ca 0.15 0.86 -0.35 0.00 -0.02 0.00 0.00 57.16 57.80 2jvm n GLU 20 Cb 0.49 -2.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.16 2jvm n GLU 20 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2jvm s THR 21 N 2.20 4.48 -0.09 2.62 -1.32 -1.26 -4.51 115.64 117.76 2jvm s THR 21 Ca 0.83 1.37 -0.02 0.00 -1.21 0.00 0.00 61.69 62.66 2jvm s THR 21 Cb -0.62 -3.79 -0.03 0.00 -1.51 0.00 0.00 72.50 66.55 2jvm s THR 21 CO 0.41 0.01 0.00 -0.69 -2.21 0.00 0.00 174.62 172.14 2jvm s VAL 22 N -1.76 4.31 -0.16 5.08 1.01 -0.93 -4.95 120.40 123.01 2jvm s VAL 22 Ca 0.50 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 2jvm s VAL 22 Cb -0.14 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2jvm s VAL 22 CO 0.19 0.60 0.66 -0.69 0.00 0.00 0.00 175.10 175.86 2jvm s VAL 23 N -0.80 5.02 -0.01 2.92 1.01 -1.26 -1.33 120.40 125.95 2jvm s VAL 23 Ca 0.12 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.42 2jvm s VAL 23 Cb -0.11 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2jvm s VAL 23 CO 0.02 0.15 -0.09 0.68 0.00 0.00 0.00 175.10 175.86 2jvm s VAL 24 N 1.60 3.48 -0.77 2.92 -7.23 0.10 -4.90 120.40 115.59 2jvm s VAL 24 Ca 0.32 -0.77 0.14 0.00 -1.81 0.00 0.00 61.98 59.86 2jvm s VAL 24 Cb -0.16 -2.47 0.67 0.00 0.56 0.00 0.00 36.38 34.97 2jvm s VAL 24 CO 0.12 0.45 1.54 -1.20 -0.31 0.00 0.00 175.10 175.70 2jvm n SER 25 N 1.76 4.64 -3.79 4.85 7.64 -1.26 0.12 113.62 127.58 2jvm n SER 25 Ca -0.16 -2.59 -0.13 0.00 1.01 0.00 0.00 58.87 57.00 2jvm n SER 25 Cb 0.52 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.16 0.01 0.33 0.44 2.01 -1.26 -4.95 115.64 110.05 2jvm s THR 26 Ca 0.46 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.38 2jvm s THR 26 Cb 0.32 -0.40 0.15 0.00 0.01 0.00 0.00 72.50 72.59 2jvm s THR 26 CO 0.17 -0.06 1.86 -0.50 -0.69 0.00 0.00 174.62 175.41 2jvm h TRP 27 N 5.40 0.56 -3.08 4.92 4.06 -1.93 -3.41 115.95 122.48 2jvm h TRP 27 Ca -0.27 -0.06 -0.64 0.00 2.06 0.00 0.00 58.89 59.99 2jvm h TRP 27 Cb 1.19 -0.16 -0.12 0.00 -1.00 0.00 0.00 29.16 29.07 2jvm h TRP 27 CO 0.43 0.55 -0.53 -1.59 -3.56 0.00 0.00 178.44 173.75 2jvm s LYS 28 N -4.97 3.72 0.15 0.49 -2.85 -1.26 0.01 119.74 115.02 2jvm s LYS 28 Ca -0.08 -0.26 0.08 0.00 -1.00 0.00 0.00 55.97 54.72 2jvm s LYS 28 Cb 0.15 -3.19 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 2jvm s LYS 28 CO 0.77 0.50 -0.19 0.08 0.10 0.00 0.00 175.35 176.61 2jvm s VAL 29 N -0.25 1.76 -0.44 1.79 1.01 -0.13 -4.95 120.40 119.19 2jvm s VAL 29 Ca 0.09 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.19 2jvm s VAL 29 Cb -0.12 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.62 2jvm s VAL 29 CO 0.01 -0.26 0.27 0.00 0.00 0.00 0.00 175.10 175.12 2jvm s ALA 30 N -1.85 3.28 0.30 5.51 0.00 -1.26 -0.35 121.76 127.38 2jvm s ALA 30 Ca 0.13 -2.50 -0.10 0.00 0.00 0.00 0.00 51.96 49.49 2jvm s ALA 30 Cb -0.07 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.36 2jvm s ALA 30 CO 0.06 -1.83 0.64 0.00 0.00 0.00 0.00 175.76 174.63 2jvm n ASP 32 N -0.57 -2.90 0.00 0.00 2.03 -1.26 -0.22 116.55 113.63 2jvm n ASP 32 Ca 0.01 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.13 2jvm n ASP 32 Cb 0.53 1.71 0.00 0.00 -0.72 0.00 0.00 41.12 42.64 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 1.95 0.20 0.00 0.27 0.00 -0.95 -4.73 105.19 101.93 2jvm n GLY 33 Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.13 3.85 -0.02 0.00 -1.00 -4.77 105.19 102.12 2jvm n GLY 34 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.17 3.14 5.17 1.61 8.01 -1.26 -4.60 118.70 129.60 2jvm s GLU 35 Ca 0.00 0.73 0.00 0.00 0.01 0.00 0.00 54.97 55.71 2jvm s GLU 35 Cb 0.00 -2.03 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 2jvm s GLU 35 CO 0.00 -0.90 0.00 0.41 0.01 0.00 0.00 175.26 174.78 2jvm n GLY 36 N -2.56 0.63 1.52 -1.39 0.00 -1.26 -3.21 105.19 98.92 2jvm n GLY 36 Ca 0.07 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 9.12 2.93 -2.62 4.61 0.00 -1.26 -4.92 120.51 128.36 2jvm n ALA 37 Ca 0.00 -1.55 -0.40 0.00 0.00 0.00 0.00 53.44 51.49 2jvm n ALA 37 Cb 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.68 4.06 -0.09 0.00 1.98 -1.20 -5.04 118.68 116.73 2jvm s LEU 38 Ca 0.50 0.58 -0.06 0.00 -2.89 0.00 0.00 54.13 52.26 2jvm s LEU 38 Cb 0.31 -2.72 0.03 0.00 0.66 0.00 0.00 46.19 44.48 2jvm s LEU 38 CO 0.26 -0.30 0.22 -0.83 -1.89 0.00 0.00 176.35 173.82 2jvm s GLY 39 N 1.49 -0.15 0.03 7.98 0.00 -1.26 -2.38 107.32 113.03 2jvm s GLY 39 Ca 0.23 0.77 -0.14 0.00 0.00 0.00 0.00 44.72 45.57 2jvm s GLY 39 CO 0.09 0.84 0.31 -2.38 0.00 0.00 0.00 173.10 171.96 2jvm s HIS 40 N 0.63 -0.12 0.85 1.90 -3.43 -1.26 -4.88 115.29 108.97 2jvm s HIS 40 Ca -0.04 0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.15 2jvm s HIS 40 Cb -0.06 0.10 0.10 0.00 -1.43 0.00 0.00 32.58 31.29 2jvm s HIS 40 CO -0.04 -0.48 1.10 -2.14 -2.00 0.00 0.00 174.74 171.19 2jvm s PRO 41 N -2.28 1.62 -0.20 -0.38 0.02 -1.26 -2.24 135.00 130.28 2jvm s PRO 41 Ca -0.07 1.20 -0.38 0.00 0.02 0.00 0.00 61.00 61.77 2jvm s PRO 41 Cb -0.02 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.54 2jvm s PRO 41 CO -0.02 -2.10 1.80 -2.13 -0.33 0.00 0.00 177.00 174.23 2jvm n ARG 42 N -3.83 1.59 -4.47 5.54 0.63 -1.25 -4.59 116.66 110.27 2jvm n ARG 42 Ca 0.09 0.58 -0.23 0.00 -0.92 0.00 0.00 57.85 57.37 2jvm n ARG 42 Cb 0.53 -2.33 -0.10 0.00 0.45 0.00 0.00 32.46 31.00 2jvm n ARG 42 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jvm s VAL 43 N 3.74 1.99 -0.25 5.15 0.11 0.69 -4.96 120.40 126.88 2jvm s VAL 43 Ca 0.96 -2.20 -0.03 0.00 -2.93 0.00 0.00 61.98 57.78 2jvm s VAL 43 Cb -0.91 -2.46 0.02 0.00 -1.53 0.00 0.00 36.38 31.50 2jvm s VAL 43 CO 0.60 -0.31 -0.03 0.26 -3.33 0.00 0.00 175.10 172.29 2jvm s TRP 44 N -2.79 3.07 0.33 1.54 0.52 -1.26 -1.34 118.94 119.01 2jvm s TRP 44 Ca 0.30 -1.39 0.09 0.00 0.02 0.00 0.00 56.10 55.11 2jvm s TRP 44 Cb 0.02 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 2jvm s TRP 44 CO 0.14 -0.69 0.09 -0.51 0.02 0.00 0.00 176.95 176.00 2jvm s LEU 45 N 1.37 3.20 -0.03 2.99 1.43 0.53 -4.96 118.68 123.21 2jvm s LEU 45 Ca 0.01 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2jvm s LEU 45 Cb -0.16 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.42 2jvm s LEU 45 CO -0.03 -0.23 0.04 -0.55 0.23 0.00 0.00 176.35 175.81 2jvm s SER 46 N -3.79 0.26 -0.12 2.29 0.15 -1.26 -0.95 113.70 110.28 2jvm s SER 46 Ca 0.36 0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 2jvm s SER 46 Cb -0.03 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2jvm s SER 46 CO 0.21 -0.15 0.78 -0.63 1.20 0.00 0.00 173.24 174.65 2jvm s ILE 47 N 1.29 4.95 0.41 6.45 1.01 0.10 -4.99 121.20 130.42 2jvm s ILE 47 Ca -0.06 1.56 -0.25 0.00 0.00 0.00 0.00 60.65 61.90 2jvm s ILE 47 Cb -0.13 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 2jvm s ILE 47 CO -0.03 0.13 1.21 -2.84 0.00 0.00 0.00 174.94 173.41 2jvm s PRO 48 N 1.54 3.98 0.21 2.79 0.02 -1.26 -4.91 135.00 137.37 2jvm s PRO 48 Ca 0.38 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.32 2jvm s PRO 48 Cb -0.17 -2.67 0.18 0.00 0.02 0.00 0.00 34.50 31.86 2jvm s PRO 48 CO 0.16 -0.41 1.56 0.45 -0.33 0.00 0.00 177.00 178.42 2jvm h HIS 49 N 2.57 0.65 0.00 6.54 3.86 -1.96 -1.35 115.15 125.45 2jvm h HIS 49 Ca -0.49 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 58.48 2jvm h HIS 49 Cb 1.24 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 2jvm h HIS 49 CO 0.54 0.91 -0.13 1.05 0.86 0.00 0.00 177.93 181.16 2jvm h GLU 50 N 0.42 0.00 0.00 2.45 9.09 -1.98 -3.31 114.58 121.25 2jvm h GLU 50 Ca 0.02 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.34 2jvm h GLU 50 Cb 0.99 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.08 2jvm h GLU 50 CO 0.09 0.13 -1.15 0.25 0.05 0.00 0.00 179.01 178.37 2jvm n THR 51 N -3.26 1.49 -0.02 -1.06 -2.24 -1.18 -5.00 114.28 103.00 2jvm n THR 51 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jvm n THR 51 Cb 0.39 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 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 1.46 0.53 3.21 3.38 0.00 -0.52 -5.03 105.19 108.22 2jvm n GLY 52 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.20 0.68 -0.01 1.61 -0.71 -1.26 -2.14 117.98 113.95 2jvm s PHE 53 Ca 0.00 -1.06 -0.01 0.00 -1.04 0.00 0.00 56.93 54.82 2jvm s PHE 53 Cb 0.00 -0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.49 2jvm s PHE 53 CO 0.00 -0.58 0.03 0.54 -1.34 0.00 0.00 175.22 173.87 2jvm s VAL 54 N -4.01 -0.01 -0.26 -2.49 0.11 0.45 -4.53 120.40 109.66 2jvm s VAL 54 Ca 0.21 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 2jvm s VAL 54 Cb 0.06 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 34.83 2jvm s VAL 54 CO 0.00 0.02 0.45 -1.61 -3.33 0.00 0.00 175.10 170.63 2jvm s GLU 55 N 0.24 4.06 -0.51 1.54 0.41 -1.26 -1.21 118.70 121.96 2jvm s GLU 55 Ca -0.02 0.20 -0.27 0.00 -0.41 0.00 0.00 54.97 54.47 2jvm s GLU 55 Cb -0.03 -3.65 -0.03 0.00 -1.78 0.00 0.00 34.13 28.65 2jvm s GLU 55 CO -0.01 -0.30 1.95 0.00 -0.49 0.00 0.00 175.26 176.42 2jvm n GLY 57 N 5.69 2.88 1.85 0.00 0.00 -1.26 -3.41 105.19 110.94 2jvm n GLY 57 Ca 0.24 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.83 -1.49 0.00 1.61 4.19 -1.26 -5.05 117.16 116.99 2jvm n TYR 58 Ca 0.22 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.43 2jvm n TYR 58 Cb 0.69 0.46 0.00 0.00 0.49 0.00 0.00 39.34 40.98 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 -0.10 0.00 -4.58 0.00 2.03 -1.22 -5.04 116.55 107.64 2jvm n ASP 60 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2jvm n ASP 60 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2jvm n ASP 60 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jvm n ARG 61 N 0.00 1.17 -4.17 -0.67 1.74 -1.26 -4.55 116.66 108.92 2jvm n ARG 61 Ca 0.00 0.42 -0.35 0.00 -0.77 0.00 0.00 57.85 57.16 2jvm n ARG 61 Cb 0.00 -1.96 -0.08 0.00 -1.02 0.00 0.00 32.46 29.40 2jvm n ARG 61 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jvm s ARG 62 N -2.01 3.10 0.03 5.56 3.52 -1.26 -1.85 118.95 126.03 2jvm s ARG 62 Ca 0.64 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.93 2jvm s ARG 62 Cb -0.55 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 2jvm s ARG 62 CO 0.56 0.70 -0.20 0.71 -0.81 0.00 0.00 175.30 176.26 2jvm s TYR 63 N -1.04 1.75 -0.03 5.12 2.02 -0.35 -2.19 117.35 122.64 2jvm s TYR 63 Ca 0.17 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.54 2jvm s TYR 63 Cb -0.12 -1.05 -0.00 0.00 -0.40 0.00 0.00 41.96 40.39 2jvm s TYR 63 CO 0.07 0.07 -0.13 0.42 -1.57 0.00 0.00 175.55 174.41 2jvm s ILE 64 N -0.75 1.06 0.43 2.71 1.01 -0.44 -0.41 121.20 124.81 2jvm s ILE 64 Ca 0.07 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 2jvm s ILE 64 Cb -0.08 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 2jvm s ILE 64 CO 0.01 0.31 1.14 -2.28 0.00 0.00 0.00 174.94 174.13 2jvm s HIS 65 N -0.00 3.01 0.46 3.97 5.65 -0.91 -0.72 115.29 126.74 2jvm s HIS 65 Ca -0.01 1.56 0.21 0.00 0.25 0.00 0.00 55.06 57.07 2jvm s HIS 65 Cb -0.08 -3.33 1.19 0.00 -1.18 0.00 0.00 32.58 29.18 2jvm s HIS 65 CO 0.01 -1.28 1.89 1.05 -0.65 0.00 0.00 174.74 175.75 2jvm h GLU 66 N 2.29 0.28 -0.44 2.88 4.11 -0.67 -0.38 114.58 122.64 2jvm h GLU 66 Ca -0.49 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 58.86 2jvm h GLU 66 Cb 1.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2jvm h GLU 66 CO 0.61 0.18 0.01 1.03 0.07 0.00 0.00 179.01 180.91 2jvm h SER 67 N 0.28 0.69 1.34 3.06 0.87 -1.91 0.65 113.55 118.53 2jvm h SER 67 Ca 0.43 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2jvm h SER 67 Cb 1.22 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2jvm h SER 67 CO -0.12 0.75 -0.15 0.33 -0.53 0.00 0.00 176.83 177.12 2jvm n PHE 68 N -4.23 0.85 -0.12 2.24 7.35 -0.19 -2.20 117.46 121.16 2jvm n PHE 68 Ca 0.02 0.25 -0.18 0.00 -0.76 0.00 0.00 57.45 56.79 2jvm n PHE 68 Cb 0.28 -0.88 -0.12 0.00 0.35 0.00 0.00 39.48 39.11 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jvm n ALA 69 N -1.80 1.41 0.01 3.13 0.00 -0.77 -4.43 120.51 118.06 2jvm n ALA 69 Ca 0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 53.44 52.29 2jvm n ALA 69 Cb 0.43 -0.15 0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 0.09 0.59 -4.26 0.00 0.00 0.20 -3.50 119.26 112.38 2jvm h ALA 70 Ca -0.57 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2jvm h ALA 70 Cb 1.94 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 2jvm h ALA 70 CO -0.07 0.71 -1.02 0.00 0.00 0.00 0.00 179.25 178.88 2jvm n ALA 71 N -2.53 -3.16 -2.75 0.00 0.00 -0.94 -5.04 120.51 106.09 2jvm n ALA 71 Ca -0.04 1.35 -0.34 0.00 0.00 0.00 0.00 53.44 54.41 2jvm n ALA 71 Cb 0.66 -2.74 -0.11 0.00 0.00 0.00 0.00 19.45 17.26 2jvm n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jvm s LYS 72 N -0.84 3.16 0.20 0.00 -0.14 -1.26 -5.10 119.74 115.76 2jvm s LYS 72 Ca -0.15 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 2jvm s LYS 72 Cb 0.01 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.30 2jvm s LYS 72 CO 0.40 0.52 1.17 -0.51 -0.76 0.00 0.00 175.35 176.18 2jvm s LEU 73 N -0.40 4.47 0.31 3.17 1.43 -1.26 -5.01 118.68 121.39 2jvm s LEU 73 Ca 0.07 2.23 -0.20 0.00 -1.03 0.00 0.00 54.13 55.20 2jvm s LEU 73 Cb -0.12 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 2jvm s LEU 73 CO 0.02 -0.33 0.81 -1.61 0.23 0.00 0.00 176.35 175.48 2jvm s GLU 74 N -0.47 4.23 -0.26 1.70 2.02 -1.26 -5.07 118.70 119.60 2jvm s GLU 74 Ca 0.51 0.94 -0.26 0.00 0.02 0.00 0.00 54.97 56.18 2jvm s GLU 74 Cb -0.32 -2.59 0.13 0.00 0.10 0.00 0.00 34.13 31.44 2jvm s GLU 74 CO 0.37 0.22 1.04 -3.38 0.02 0.00 0.00 175.26 173.54 2jvm s HIS 75 N -1.81 -0.44 -0.42 1.61 -3.43 -1.26 -5.12 115.29 104.42 2jvm s HIS 75 Ca 0.51 1.03 -0.28 0.00 -0.80 0.00 0.00 55.06 55.52 2jvm s HIS 75 Cb -0.14 0.38 -0.00 0.00 -1.43 0.00 0.00 32.58 31.39 2jvm s HIS 75 CO 0.19 -0.24 1.60 -1.58 -2.00 0.00 0.00 174.74 172.71 2jvm s HIS 76 N -0.01 2.09 -1.06 0.38 2.46 -1.26 -4.91 115.29 112.97 2jvm s HIS 76 Ca 0.02 0.64 -0.22 0.00 0.47 0.00 0.00 55.06 55.97 2jvm s HIS 76 Cb -0.04 -4.23 0.04 0.00 -0.13 0.00 0.00 32.58 28.22 2jvm s HIS 76 CO -0.05 -2.37 1.56 -1.58 -2.47 0.00 0.00 174.74 169.82 2jvm s HIS 77 N 6.39 2.50 -0.27 3.88 5.04 -1.26 -4.85 115.29 126.72 2jvm s HIS 77 Ca 0.68 -0.82 -0.25 0.00 -1.54 0.00 0.00 55.06 53.12 2jvm s HIS 77 Cb -0.16 -4.64 0.13 0.00 0.04 0.00 0.00 32.58 27.95 2jvm s HIS 77 CO 0.31 -1.88 1.07 -1.58 -2.34 0.00 0.00 174.74 170.31 2jvm s HIS 78 N 5.43 -0.43 0.00 3.88 5.04 -1.26 -5.03 115.29 122.93 2jvm s HIS 78 Ca 0.50 1.02 0.00 0.00 -1.54 0.00 0.00 55.06 55.04 2jvm s HIS 78 Cb 0.00 0.38 0.00 0.00 0.04 0.00 0.00 32.58 33.00 2jvm s HIS 78 CO -0.05 -0.22 1.46 1.58 -2.34 0.00 0.00 174.74 175.17 2jvm n HIS 79 N 2.03 0.00 0.00 3.88 -0.00 -1.26 -5.27 115.22 114.61 2jvm n HIS 79 Ca -0.12 -0.73 0.00 0.00 0.46 0.00 0.00 57.72 57.33 2jvm n HIS 79 Cb 0.56 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 2jvm n HIS 79 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38