#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 3.70 -1.29 2.12 3.52 -1.26 -4.90 118.95 120.84 2jvm s ARG 2 Ca 0.00 2.04 -0.13 0.00 -0.13 0.00 0.00 55.73 57.51 2jvm s ARG 2 Cb 0.00 -4.17 0.13 0.00 -1.56 0.00 0.00 34.95 29.36 2jvm s ARG 2 CO 0.00 -1.43 1.76 0.54 -0.81 0.00 0.00 175.30 175.36 2jvm n ARG 3 N 7.94 3.36 -3.50 5.12 1.74 -1.26 -4.81 116.66 125.25 2jvm n ARG 3 Ca 0.22 -3.46 -0.00 0.00 -0.77 0.00 0.00 57.85 53.84 2jvm n ARG 3 Cb 0.44 -3.11 -0.05 0.00 -1.02 0.00 0.00 32.46 28.72 2jvm n ARG 3 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2jvm s GLN 4 N 1.78 0.33 -0.07 5.56 -2.07 -1.26 -5.05 119.66 118.89 2jvm s GLN 4 Ca 0.44 0.73 -0.03 0.00 -1.82 0.00 0.00 55.36 54.67 2jvm s GLN 4 Cb 0.05 0.31 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 2jvm s GLN 4 CO 0.00 -0.10 2.82 -2.30 -1.32 0.00 0.00 175.29 174.40 2jvm n PRO 5 N 4.50 1.66 -2.84 9.60 -0.02 -1.26 -4.85 135.00 141.79 2jvm n PRO 5 Ca -0.13 -0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 60.11 2jvm n PRO 5 Cb 0.54 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 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 0.15 3.19 -0.03 -0.52 2.20 -1.26 -4.99 119.74 118.48 2jvm s LYS 6 Ca 0.39 -0.92 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 2jvm s LYS 6 Cb 0.20 -4.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.17 2jvm s LYS 6 CO -0.02 -1.84 -0.16 0.99 -0.36 0.00 0.00 175.35 173.96 2jvm s THR 7 N 4.02 1.28 -0.19 3.43 2.01 -1.26 -5.12 115.64 119.80 2jvm s THR 7 Ca 0.25 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 2jvm s THR 7 Cb -0.14 -1.09 0.09 0.00 0.01 0.00 0.00 72.50 71.37 2jvm s THR 7 CO 0.07 0.37 0.24 -0.60 -0.69 0.00 0.00 174.62 174.01 2jvm s ARG 8 N -0.09 0.20 -0.28 4.92 3.52 -1.26 -5.03 118.95 120.92 2jvm s ARG 8 Ca 0.00 0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 2jvm s ARG 8 Cb -0.09 -0.97 0.42 0.00 -1.56 0.00 0.00 34.95 32.75 2jvm s ARG 8 CO 0.01 -0.60 1.58 1.04 -0.81 0.00 0.00 175.30 176.52 2jvm n GLN 9 N 5.33 1.78 -0.29 5.12 6.02 -1.26 -3.79 117.38 130.30 2jvm n GLN 9 Ca -0.05 -1.88 0.08 0.00 -0.01 0.00 0.00 57.00 55.14 2jvm n GLN 9 Cb 0.50 -1.74 0.18 0.00 1.02 0.00 0.00 30.24 30.20 2jvm n GLN 9 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2jvm n GLU 10 N -0.53 1.79 -3.44 -1.09 -0.58 -1.26 -4.98 120.64 110.56 2jvm n GLU 10 Ca 0.37 -2.78 -0.43 0.00 -0.42 0.00 0.00 57.16 53.91 2jvm n GLU 10 Cb 1.23 -1.63 -0.10 0.00 -0.57 0.00 0.00 31.44 30.37 2jvm n GLU 10 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jvm s SER 11 N -2.64 6.12 -0.34 1.62 0.01 -1.25 -5.02 113.70 112.21 2jvm s SER 11 Ca 0.36 -0.77 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 2jvm s SER 11 Cb 0.32 -2.17 0.11 0.00 0.21 0.00 0.00 66.02 64.49 2jvm s SER 11 CO 0.03 -0.45 0.14 0.00 0.41 0.00 0.00 173.24 173.37 2jvm s ALA 12 N 1.79 1.60 0.18 1.44 0.00 -1.26 -5.11 121.76 120.40 2jvm s ALA 12 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2jvm s ALA 12 Cb -0.18 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2jvm s ALA 12 CO 0.11 -1.79 0.06 0.50 0.00 0.00 0.00 175.76 174.64 2jvm s ARG 13 N 1.30 1.11 0.09 0.00 3.52 -1.26 -5.13 118.95 118.59 2jvm s ARG 13 Ca 0.12 -1.56 0.00 0.00 -0.13 0.00 0.00 55.73 54.17 2jvm s ARG 13 Cb -0.19 -0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.19 2jvm s ARG 13 CO -0.18 -0.25 0.00 -1.33 -0.81 0.00 0.00 175.30 172.74 2jvm n MET 14 N -0.23 -0.52 -3.48 5.12 2.81 -1.26 -4.93 117.12 114.62 2jvm n MET 14 Ca -0.04 0.40 -0.09 0.00 -1.81 0.00 0.00 57.70 56.17 2jvm n MET 14 Cb 0.64 -0.62 -0.09 0.00 -0.71 0.00 0.00 33.22 32.45 2jvm n MET 14 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2jvm s SER 15 N -5.10 0.03 0.13 7.83 0.01 -1.26 -5.16 113.70 110.19 2jvm s SER 15 Ca 0.00 0.55 0.11 0.00 1.31 0.00 0.00 55.95 57.91 2jvm s SER 15 Cb 0.00 1.20 -0.04 0.00 0.21 0.00 0.00 66.02 67.39 2jvm s SER 15 CO 0.00 -0.27 -0.25 0.27 0.41 0.00 0.00 173.24 173.40 2jvm s ILE 16 N 2.57 2.37 -0.85 1.44 -5.25 -1.26 -5.07 121.20 115.14 2jvm s ILE 16 Ca 0.07 -1.75 0.00 0.00 -0.99 0.00 0.00 60.65 57.99 2jvm s ILE 16 Cb -0.14 -2.06 0.23 0.00 2.95 0.00 0.00 42.46 43.44 2jvm s ILE 16 CO -0.14 0.07 0.84 1.21 -1.79 0.00 0.00 174.94 175.13 2jvm n GLU 17 N 0.82 2.78 -2.88 0.37 2.13 -1.26 -4.90 120.64 117.71 2jvm n GLU 17 Ca -0.17 -4.53 -0.02 0.00 0.66 0.00 0.00 57.16 53.10 2jvm n GLU 17 Cb 0.53 -2.38 0.01 0.00 0.27 0.00 0.00 31.44 29.87 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jvm s ALA 18 N -1.80 -2.74 -0.39 4.31 0.00 -1.26 -5.11 121.76 114.76 2jvm s ALA 18 Ca 0.30 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 2jvm s ALA 18 Cb -0.01 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 2jvm s ALA 18 CO -0.08 -2.30 1.55 -1.25 0.00 0.00 0.00 175.76 173.69 2jvm s PRO 19 N 1.27 3.46 -0.90 0.00 0.04 -1.26 -4.93 135.00 132.68 2jvm s PRO 19 Ca 0.24 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 2jvm s PRO 19 Cb 0.01 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 2jvm s PRO 19 CO -0.07 -1.70 1.73 -1.21 0.04 0.00 0.00 177.00 175.79 2jvm s GLU 20 N 5.25 2.95 -0.19 4.56 0.41 -1.26 -4.93 118.70 125.49 2jvm s GLU 20 Ca 0.67 -0.48 -0.02 0.00 -0.41 0.00 0.00 54.97 54.73 2jvm s GLU 20 Cb -0.17 -5.05 -0.01 0.00 -1.78 0.00 0.00 34.13 27.13 2jvm s GLU 20 CO 0.33 -2.85 -0.08 0.99 -0.49 0.00 0.00 175.26 173.16 2jvm s THR 21 N 8.00 3.24 -0.11 3.63 2.01 -1.26 -0.34 115.64 130.82 2jvm s THR 21 Ca 0.60 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.07 2jvm s THR 21 Cb -0.05 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.03 2jvm s THR 21 CO -0.01 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.47 2jvm s VAL 22 N 1.04 2.02 -0.27 3.82 1.01 0.18 -4.98 120.40 123.21 2jvm s VAL 22 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2jvm s VAL 22 Cb -0.15 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2jvm s VAL 22 CO -0.01 0.55 0.36 -0.69 0.00 0.00 0.00 175.10 175.31 2jvm s VAL 23 N 0.46 5.18 0.12 2.92 1.01 -1.26 0.14 120.40 128.98 2jvm s VAL 23 Ca -0.16 0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.44 2jvm s VAL 23 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2jvm s VAL 23 CO 0.06 0.16 -0.20 0.68 0.00 0.00 0.00 175.10 175.81 2jvm s VAL 24 N 2.05 1.75 -0.71 2.92 -7.23 0.09 -4.90 120.40 114.37 2jvm s VAL 24 Ca 0.14 -1.67 0.24 0.00 -1.81 0.00 0.00 61.98 58.89 2jvm s VAL 24 Cb -0.16 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 2jvm s VAL 24 CO 0.10 -0.14 1.26 -1.20 -0.31 0.00 0.00 175.10 174.81 2jvm n SER 25 N 0.82 0.63 -4.86 4.85 7.64 -1.26 -0.95 113.62 120.50 2jvm n SER 25 Ca -0.17 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.31 2jvm n SER 25 Cb 0.55 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 64.03 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 -3.14 5.25 0.13 0.44 -4.23 -1.26 -4.91 115.64 107.93 2jvm s THR 26 Ca 0.07 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2jvm s THR 26 Cb 0.15 -3.37 -0.20 0.00 1.34 0.00 0.00 72.50 70.41 2jvm s THR 26 CO 0.74 0.44 1.30 -0.50 -0.54 0.00 0.00 174.62 176.06 2jvm h TRP 27 N 4.33 0.14 -3.62 3.99 4.06 -1.93 -3.43 115.95 119.49 2jvm h TRP 27 Ca -0.51 -0.09 -0.63 0.00 2.06 0.00 0.00 58.89 59.72 2jvm h TRP 27 Cb 1.20 -0.01 -0.16 0.00 -1.00 0.00 0.00 29.16 29.19 2jvm h TRP 27 CO 0.69 1.01 -0.52 0.15 -3.56 0.00 0.00 178.44 176.21 2jvm s LYS 28 N -2.86 4.01 0.09 0.49 1.02 -1.26 0.14 119.74 121.37 2jvm s LYS 28 Ca -0.01 -0.30 0.09 0.00 0.02 0.00 0.00 55.97 55.77 2jvm s LYS 28 Cb 0.10 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2jvm s LYS 28 CO 0.83 0.02 -0.22 0.14 -0.92 0.00 0.00 175.35 175.19 2jvm s VAL 29 N 1.16 1.84 -0.34 3.17 -7.23 -0.67 -4.97 120.40 113.34 2jvm s VAL 29 Ca 0.07 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 2jvm s VAL 29 Cb -0.14 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.21 2jvm s VAL 29 CO 0.05 0.08 0.11 0.00 -0.31 0.00 0.00 175.10 175.03 2jvm s ALA 30 N -1.01 3.06 0.19 1.32 0.00 -1.26 -0.72 121.76 123.34 2jvm s ALA 30 Ca 0.09 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 2jvm s ALA 30 Cb -0.10 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 2jvm s ALA 30 CO 0.04 -1.35 0.48 0.00 0.00 0.00 0.00 175.76 174.92 2jvm n ASP 32 N -0.03 -3.08 0.00 0.00 2.03 -1.26 -0.19 116.55 114.01 2jvm n ASP 32 Ca -0.01 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.30 2jvm n ASP 32 Cb 0.52 1.73 0.00 0.00 -0.72 0.00 0.00 41.12 42.65 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 2.29 2.08 1.67 0.27 0.00 -1.07 -4.80 105.19 105.62 2jvm n GLY 33 Ca 0.13 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 2.52 3.50 3.88 -0.02 0.00 0.10 -4.90 105.19 110.27 2jvm n GLY 34 Ca 0.00 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.90 1.06 7.16 1.61 0.41 -1.26 -4.31 118.70 120.47 2jvm s GLU 35 Ca 0.06 -0.12 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 2jvm s GLU 35 Cb -0.00 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 2jvm s GLU 35 CO 0.04 -2.17 0.00 0.41 -0.49 0.00 0.00 175.26 173.04 2jvm n GLY 36 N -3.25 2.16 0.07 -1.39 0.00 -1.26 -2.75 105.19 98.78 2jvm n GLY 36 Ca 0.11 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 8.69 1.85 -2.46 4.61 0.00 -1.26 -4.93 120.51 127.00 2jvm n ALA 37 Ca 0.00 -1.28 -0.43 0.00 0.00 0.00 0.00 53.44 51.73 2jvm n ALA 37 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2jvm n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jvm n LEU 38 N -0.56 6.50 -4.82 0.00 4.77 -1.11 -4.96 117.00 116.82 2jvm n LEU 38 Ca 0.04 -4.69 -0.38 0.00 -0.03 0.00 0.00 56.01 50.95 2jvm n LEU 38 Cb 0.45 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 2jvm n LEU 38 CO 0.00 1.36 0.13 -0.83 -1.33 0.00 0.00 177.39 176.72 2jvm s GLY 39 N 0.76 2.50 0.07 -0.72 0.00 -1.26 0.03 107.32 108.70 2jvm s GLY 39 Ca 0.39 -0.18 -0.14 0.00 0.00 0.00 0.00 44.72 44.78 2jvm s GLY 39 CO 0.01 0.24 0.33 -2.38 0.00 0.00 0.00 173.10 171.31 2jvm s HIS 40 N -0.93 -0.12 1.00 1.90 -3.43 -1.26 -4.92 115.29 107.53 2jvm s HIS 40 Ca 0.24 -0.10 -0.12 0.00 -0.80 0.00 0.00 55.06 54.28 2jvm s HIS 40 Cb -0.17 0.14 0.19 0.00 -1.43 0.00 0.00 32.58 31.31 2jvm s HIS 40 CO 0.14 -0.58 1.09 -2.14 -2.00 0.00 0.00 174.74 171.24 2jvm s PRO 41 N -3.13 0.39 -0.06 -0.38 0.02 -1.26 -2.61 135.00 127.97 2jvm s PRO 41 Ca -0.01 0.62 -0.34 0.00 0.02 0.00 0.00 61.00 61.29 2jvm s PRO 41 Cb 0.01 -1.72 -0.12 0.00 0.02 0.00 0.00 34.50 32.69 2jvm s PRO 41 CO -0.07 -2.78 1.85 -2.13 -0.33 0.00 0.00 177.00 173.54 2jvm n ARG 42 N -4.23 2.17 -4.41 5.54 0.63 -1.26 -4.54 116.66 110.57 2jvm n ARG 42 Ca 0.05 0.79 -0.27 0.00 -0.92 0.00 0.00 57.85 57.51 2jvm n ARG 42 Cb 0.56 -2.63 -0.12 0.00 0.45 0.00 0.00 32.46 30.72 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 3.73 2.28 -0.27 5.15 0.11 0.73 -4.96 120.40 127.18 2jvm s VAL 43 Ca 0.91 -1.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 2jvm s VAL 43 Cb -0.69 -2.07 0.02 0.00 -1.53 0.00 0.00 36.38 32.10 2jvm s VAL 43 CO 0.50 -0.09 0.01 0.26 -3.33 0.00 0.00 175.10 172.45 2jvm s TRP 44 N -1.58 3.11 0.25 1.54 0.52 -1.26 -0.86 118.94 120.65 2jvm s TRP 44 Ca 0.19 -1.23 0.09 0.00 0.02 0.00 0.00 56.10 55.17 2jvm s TRP 44 Cb -0.08 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 2jvm s TRP 44 CO 0.09 -0.64 0.02 -0.51 0.02 0.00 0.00 176.95 175.92 2jvm s LEU 45 N 1.42 3.27 -0.13 2.99 1.43 0.10 -4.99 118.68 122.78 2jvm s LEU 45 Ca 0.02 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2jvm s LEU 45 Cb -0.17 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.29 2jvm s LEU 45 CO -0.01 0.01 0.03 -0.55 0.23 0.00 0.00 176.35 176.06 2jvm s SER 46 N -3.60 2.17 0.04 2.29 0.15 -1.26 -1.67 113.70 111.81 2jvm s SER 46 Ca 0.31 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 2jvm s SER 46 Cb -0.07 -0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 63.69 2jvm s SER 46 CO 0.20 -0.26 1.63 -0.63 1.20 0.00 0.00 173.24 175.38 2jvm s ILE 47 N 1.95 3.23 0.14 6.45 1.01 0.12 -4.95 121.20 129.16 2jvm s ILE 47 Ca 0.02 0.60 -0.31 0.00 0.00 0.00 0.00 60.65 60.96 2jvm s ILE 47 Cb -0.15 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 2jvm s ILE 47 CO -0.07 -0.01 1.69 -2.84 0.00 0.00 0.00 174.94 173.71 2jvm s PRO 48 N 2.91 4.17 0.43 2.79 0.02 -1.26 -4.90 135.00 139.17 2jvm s PRO 48 Ca 0.73 2.47 0.23 0.00 0.02 0.00 0.00 61.00 64.45 2jvm s PRO 48 Cb -0.37 -3.35 0.93 0.00 0.02 0.00 0.00 34.50 31.72 2jvm s PRO 48 CO 0.31 -0.73 1.83 0.45 -0.33 0.00 0.00 177.00 178.54 2jvm h HIS 49 N 7.62 0.00 0.00 6.54 3.86 -1.93 -0.21 115.15 131.02 2jvm h HIS 49 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 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 0.71 0.25 0.00 1.05 0.86 0.00 0.00 177.93 180.80 2jvm h GLU 50 N 0.00 0.00 0.00 2.45 9.09 -1.97 -3.35 114.58 120.80 2jvm h GLU 50 Ca -0.00 0.00 -0.40 0.00 0.05 0.00 0.00 59.36 59.00 2jvm h GLU 50 Cb 0.73 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.77 2jvm h GLU 50 CO 0.03 0.00 -2.37 0.25 0.05 0.00 0.00 179.01 176.97 2jvm n THR 51 N -3.10 1.35 -0.18 -1.06 -2.24 -1.02 -5.01 114.28 103.02 2jvm n THR 51 Ca 0.03 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2jvm n THR 51 Cb 0.49 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 1.60 0.67 3.36 3.38 0.00 -0.12 -5.00 105.19 109.08 2jvm n GLY 52 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.27 -0.35 -0.00 1.61 -0.71 -1.26 -1.34 117.98 113.66 2jvm s PHE 53 Ca 0.00 0.29 0.01 0.00 -1.04 0.00 0.00 56.93 56.19 2jvm s PHE 53 Cb 0.00 0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 42.12 2jvm s PHE 53 CO 0.00 -0.65 -0.03 0.54 -1.34 0.00 0.00 175.22 173.74 2jvm s VAL 54 N -2.80 0.25 -0.16 -2.49 0.11 -0.03 -4.29 120.40 110.99 2jvm s VAL 54 Ca -0.03 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.81 2jvm s VAL 54 Cb -0.00 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 2jvm s VAL 54 CO -0.05 0.06 -0.01 -1.61 -3.33 0.00 0.00 175.10 170.17 2jvm s GLU 55 N -0.11 3.76 0.55 1.54 2.02 -1.26 -0.67 118.70 124.54 2jvm s GLU 55 Ca 0.01 -0.47 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 2jvm s GLU 55 Cb -0.01 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 2jvm s GLU 55 CO -0.00 0.25 1.10 0.00 0.02 0.00 0.00 175.26 176.62 2jvm n GLY 57 N -0.14 -1.26 0.06 0.00 0.00 -1.26 -4.19 105.19 98.40 2jvm n GLY 57 Ca 0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 2jvm n GLY 57 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jvm h TYR 58 N 0.00 0.04 -3.22 1.61 -1.99 -1.98 -3.48 116.97 107.95 2jvm h TYR 58 Ca 0.00 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.73 2jvm h TYR 58 Cb 0.99 -0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.65 2jvm h TYR 58 CO 0.00 1.02 0.11 0.00 -0.00 0.00 0.00 178.16 179.29 2jvm n ASP 60 N -0.43 3.14 -4.68 0.00 9.92 -1.26 -3.92 116.55 119.32 2jvm n ASP 60 Ca -0.04 -1.83 -0.42 0.00 -0.53 0.00 0.00 54.79 51.97 2jvm n ASP 60 Cb 0.60 -0.59 -0.03 0.00 -0.64 0.00 0.00 41.12 40.47 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jvm s ARG 61 N 0.23 4.28 -0.27 -1.24 1.81 -1.26 -4.32 118.95 118.18 2jvm s ARG 61 Ca 0.00 1.81 -0.02 0.00 -1.72 0.00 0.00 55.73 55.81 2jvm s ARG 61 Cb 0.00 -3.65 0.04 0.00 -0.45 0.00 0.00 34.95 30.88 2jvm s ARG 61 CO 0.00 -0.59 -0.04 0.50 -0.68 0.00 0.00 175.30 174.49 2jvm s ARG 62 N 2.75 2.66 -0.27 3.54 3.52 0.54 -0.63 118.95 131.06 2jvm s ARG 62 Ca 0.60 -1.10 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 2jvm s ARG 62 Cb -0.27 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 2jvm s ARG 62 CO 0.22 -0.49 0.17 0.71 -0.81 0.00 0.00 175.30 175.11 2jvm s TYR 63 N 1.29 3.22 -0.19 5.12 1.51 0.15 -0.65 117.35 127.81 2jvm s TYR 63 Ca -0.02 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2jvm s TYR 63 Cb -0.18 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 2jvm s TYR 63 CO -0.03 -0.14 -0.02 0.42 -1.11 0.00 0.00 175.55 174.67 2jvm s ILE 64 N 1.63 3.84 0.19 2.71 -1.09 0.12 -0.85 121.20 127.75 2jvm s ILE 64 Ca 0.07 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 57.83 2jvm s ILE 64 Cb -0.16 -2.72 -0.08 0.00 -1.58 0.00 0.00 42.46 37.93 2jvm s ILE 64 CO 0.09 0.45 1.07 -2.28 -1.23 0.00 0.00 174.94 173.04 2jvm s HIS 65 N 0.87 3.66 0.23 3.97 5.65 -0.45 -0.73 115.29 128.49 2jvm s HIS 65 Ca 0.00 1.67 0.33 0.00 0.25 0.00 0.00 55.06 57.31 2jvm s HIS 65 Cb -0.14 -3.22 1.80 0.00 -1.18 0.00 0.00 32.58 29.84 2jvm s HIS 65 CO 0.02 -0.39 2.01 1.05 -0.65 0.00 0.00 174.74 176.78 2jvm h GLU 66 N 4.92 0.00 -0.30 2.88 4.11 -1.37 -0.90 114.58 123.92 2jvm h GLU 66 Ca -0.44 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.83 2jvm h GLU 66 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jvm h GLU 66 CO 0.71 0.00 -0.44 0.66 0.07 0.00 0.00 179.01 180.01 2jvm h SER 67 N 0.00 0.84 1.89 3.06 4.64 -1.91 -1.67 113.55 120.40 2jvm h SER 67 Ca 0.00 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2jvm h SER 67 Cb 0.00 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 2jvm h SER 67 CO 0.00 1.16 -0.09 0.15 -0.87 0.00 0.00 176.83 177.18 2jvm h PHE 68 N 0.62 0.00 -0.08 4.77 3.57 -1.44 -3.10 116.94 121.28 2jvm h PHE 68 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2jvm h PHE 68 Cb 1.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2jvm h PHE 68 CO 0.06 0.09 0.00 0.00 -2.23 0.00 0.00 178.31 176.23 2jvm n ALA 69 N -2.12 2.53 -2.16 2.41 0.00 -1.00 -3.88 120.51 116.28 2jvm n ALA 69 Ca 0.04 -0.56 0.04 0.00 0.00 0.00 0.00 53.44 52.95 2jvm n ALA 69 Cb 0.56 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 0.58 2.43 -1.92 0.00 0.00 -0.66 -5.03 120.51 115.92 2jvm n ALA 70 Ca 0.17 -2.13 -0.41 0.00 0.00 0.00 0.00 53.44 51.07 2jvm n ALA 70 Cb 0.43 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.60 2.49 0.03 0.00 0.00 -1.18 -4.83 121.76 117.68 2jvm s ALA 71 Ca 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 2jvm s ALA 71 Cb 0.28 -4.15 -0.28 0.00 0.00 0.00 0.00 23.12 18.98 2jvm s ALA 71 CO -0.10 -3.25 0.98 -0.22 0.00 0.00 0.00 175.76 173.17 2jvm h LYS 72 N 14.54 0.24 -6.86 0.00 3.64 -1.96 -3.46 116.57 122.72 2jvm h LYS 72 Ca -0.31 -0.42 -0.52 0.00 -1.27 0.00 0.00 60.65 58.14 2jvm h LYS 72 Cb 1.19 0.16 0.05 0.00 -0.41 0.00 0.00 32.23 33.21 2jvm h LYS 72 CO 1.09 1.14 0.59 -0.51 -2.27 0.00 0.00 179.45 179.50 2jvm s LEU 73 N -7.01 4.46 0.23 5.20 1.43 -1.26 -5.02 118.68 116.71 2jvm s LEU 73 Ca -0.07 2.57 -0.17 0.00 -1.03 0.00 0.00 54.13 55.43 2jvm s LEU 73 Cb 0.07 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.67 2jvm s LEU 73 CO 0.86 -0.43 0.57 -1.83 0.23 0.00 0.00 176.35 175.76 2jvm s GLU 74 N -1.67 1.55 0.00 1.70 -1.05 -1.26 -4.93 118.70 113.03 2jvm s GLU 74 Ca 0.48 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 2jvm s GLU 74 Cb -0.38 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 2jvm s GLU 74 CO 0.50 -0.67 0.00 0.72 0.95 0.00 0.00 175.26 176.75 2jvm n HIS 75 N -0.39 0.00 -2.38 4.83 8.25 -1.26 -4.90 115.22 119.37 2jvm n HIS 75 Ca -0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.03 2jvm n HIS 75 Cb 0.61 -0.88 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 2jvm n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jvm s HIS 76 N -1.96 2.41 0.00 4.41 2.46 -1.26 -3.60 115.29 117.75 2jvm s HIS 76 Ca 0.00 -0.68 0.00 0.00 0.47 0.00 0.00 55.06 54.85 2jvm s HIS 76 Cb 0.00 -4.46 0.00 0.00 -0.13 0.00 0.00 32.58 27.99 2jvm s HIS 76 CO 0.00 -1.65 0.00 1.58 -2.47 0.00 0.00 174.74 172.20 2jvm n HIS 77 N 10.75 0.00 -0.68 3.88 -0.00 -1.26 -5.11 115.22 122.80 2jvm n HIS 77 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 2jvm n HIS 77 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 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 -0.42 0.00 -0.06 1.57 8.25 -1.24 -4.95 115.22 118.37 2jvm n HIS 78 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2jvm n HIS 78 Cb 0.00 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.26 2jvm n HIS 78 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jvm h HIS 79 N 0.00 0.76 0.00 4.41 -0.00 -1.99 -3.53 115.15 114.79 2jvm h HIS 79 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 2jvm h HIS 79 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 2jvm h HIS 79 CO 0.00 0.80 0.00 1.58 -0.00 0.00 0.00 177.93 180.31