#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 0.46 -0.22 0.03 3.52 -1.26 -5.15 118.95 116.34 2jvm s ARG 2 Ca 0.00 0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 56.15 2jvm s ARG 2 Cb 0.00 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 2jvm s ARG 2 CO 0.00 -0.64 0.20 1.03 -0.81 0.00 0.00 175.30 175.08 2jvm s ARG 3 N 2.88 4.13 -0.38 5.12 0.52 -1.26 -5.06 118.95 124.89 2jvm s ARG 3 Ca 0.15 -0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 2jvm s ARG 3 Cb -0.11 -3.50 0.03 0.00 0.52 0.00 0.00 34.95 31.88 2jvm s ARG 3 CO -0.21 0.11 0.22 -1.14 0.02 0.00 0.00 175.30 174.30 2jvm s GLN 4 N 0.89 2.82 -0.64 3.54 0.74 -1.26 -5.03 119.66 120.72 2jvm s GLN 4 Ca 0.10 -1.09 -0.26 0.00 0.05 0.00 0.00 55.36 54.15 2jvm s GLN 4 Cb -0.13 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 2jvm s GLN 4 CO 0.04 -0.72 1.82 -2.14 -0.55 0.00 0.00 175.29 173.73 2jvm s PRO 5 N 1.56 2.67 -0.48 1.67 0.02 -1.26 -4.95 135.00 134.23 2jvm s PRO 5 Ca 0.02 0.48 -0.23 0.00 0.02 0.00 0.00 61.00 61.29 2jvm s PRO 5 Cb -0.19 -4.41 0.03 0.00 0.02 0.00 0.00 34.50 29.95 2jvm s PRO 5 CO 0.07 -2.72 0.83 0.15 -0.33 0.00 0.00 177.00 175.00 2jvm s LYS 6 N 6.93 3.38 -0.87 5.54 1.02 -1.26 -4.98 119.74 129.50 2jvm s LYS 6 Ca 0.65 -0.17 -0.21 0.00 0.02 0.00 0.00 55.97 56.26 2jvm s LYS 6 Cb -0.12 -3.98 0.10 0.00 -0.52 0.00 0.00 37.83 33.31 2jvm s LYS 6 CO 0.19 -1.23 1.14 0.99 -0.92 0.00 0.00 175.35 175.52 2jvm s THR 7 N 3.47 4.45 -0.18 2.17 2.01 -1.26 -4.78 115.64 121.52 2jvm s THR 7 Ca 0.30 -1.05 0.20 0.00 0.31 0.00 0.00 61.69 61.45 2jvm s THR 7 Cb -0.12 -4.81 -0.08 0.00 0.01 0.00 0.00 72.50 67.50 2jvm s THR 7 CO 0.22 -1.58 0.89 -1.14 -0.69 0.00 0.00 174.62 172.32 2jvm n ARG 8 N 7.34 0.62 -3.82 4.92 0.63 -1.26 -4.68 116.66 120.40 2jvm n ARG 8 Ca 0.17 0.13 -0.35 0.00 -0.92 0.00 0.00 57.85 56.89 2jvm n ARG 8 Cb 0.48 -1.79 -0.12 0.00 0.45 0.00 0.00 32.46 31.49 2jvm n ARG 8 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2jvm s GLN 9 N -3.20 2.06 -0.36 -0.14 0.00 -1.26 -5.06 119.66 111.71 2jvm s GLN 9 Ca -0.02 -2.13 -0.23 0.00 -0.00 0.00 0.00 55.36 52.98 2jvm s GLN 9 Cb 0.10 -3.53 0.01 0.00 0.00 0.00 0.00 33.01 29.59 2jvm s GLN 9 CO 0.81 -1.08 0.76 -2.00 0.00 0.00 0.00 175.29 173.78 2jvm s GLU 10 N 0.58 3.77 -0.19 9.60 2.12 -1.26 -5.00 118.70 128.31 2jvm s GLU 10 Ca 0.12 0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.49 2jvm s GLU 10 Cb -0.22 -3.80 0.07 0.00 0.26 0.00 0.00 34.13 30.44 2jvm s GLU 10 CO -0.04 -0.82 0.70 0.45 -0.54 0.00 0.00 175.26 175.02 2jvm s SER 11 N 1.81 -0.72 -0.15 -1.70 0.15 -1.26 -5.14 113.70 106.69 2jvm s SER 11 Ca 0.31 1.20 -0.26 0.00 0.70 0.00 0.00 55.95 57.89 2jvm s SER 11 Cb -0.13 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.31 2jvm s SER 11 CO 0.16 -0.37 0.85 0.00 1.20 0.00 0.00 173.24 175.08 2jvm s ALA 12 N -0.16 3.49 -0.38 5.45 0.00 -1.26 -5.02 121.76 123.88 2jvm s ALA 12 Ca -0.04 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 2jvm s ALA 12 Cb -0.03 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.87 2jvm s ALA 12 CO 0.04 -0.60 0.22 1.03 0.00 0.00 0.00 175.76 176.45 2jvm s ARG 13 N 2.03 2.82 -0.59 0.00 3.00 -1.26 -4.99 118.95 119.96 2jvm s ARG 13 Ca 0.40 -1.09 0.05 0.00 0.00 0.00 0.00 55.73 55.09 2jvm s ARG 13 Cb -0.17 -3.76 0.20 0.00 0.00 0.00 0.00 34.95 31.22 2jvm s ARG 13 CO 0.14 -0.72 0.54 -0.12 0.00 0.00 0.00 175.30 175.14 2jvm n MET 14 N 5.01 1.55 -2.82 3.54 1.56 -1.26 -5.05 117.12 119.65 2jvm n MET 14 Ca -0.12 -4.11 -0.43 0.00 -0.27 0.00 0.00 57.70 52.78 2jvm n MET 14 Cb 0.46 -2.01 -0.03 0.00 2.15 0.00 0.00 33.22 33.79 2jvm n MET 14 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2jvm s SER 15 N -1.40 6.35 0.05 6.12 0.15 -1.26 -4.97 113.70 118.73 2jvm s SER 15 Ca 0.32 -1.34 -0.02 0.00 0.70 0.00 0.00 55.95 55.62 2jvm s SER 15 Cb 0.06 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 2jvm s SER 15 CO -0.13 -1.36 -0.01 -0.63 1.20 0.00 0.00 173.24 172.31 2jvm s ILE 16 N 3.87 0.20 -0.45 6.45 1.01 -1.26 -5.11 121.20 125.90 2jvm s ILE 16 Ca 0.29 -1.65 0.06 0.00 0.00 0.00 0.00 60.65 59.35 2jvm s ILE 16 Cb -0.10 -1.35 0.19 0.00 0.01 0.00 0.00 42.46 41.20 2jvm s ILE 16 CO 0.02 -0.91 0.72 -0.70 0.00 0.00 0.00 174.94 174.07 2jvm s GLU 17 N -3.60 0.87 -0.30 2.79 -6.30 -1.26 -5.12 118.70 105.78 2jvm s GLU 17 Ca 0.04 -0.62 -0.03 0.00 -2.50 0.00 0.00 54.97 51.86 2jvm s GLU 17 Cb 0.06 0.02 0.10 0.00 0.00 0.00 0.00 34.13 34.31 2jvm s GLU 17 CO -0.09 -1.15 0.13 0.00 0.02 0.00 0.00 175.26 174.17 2jvm s ALA 18 N 1.35 0.83 0.40 6.30 0.00 -1.26 -5.13 121.76 124.25 2jvm s ALA 18 Ca 0.23 -1.28 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 2jvm s ALA 18 Cb -0.01 -1.46 -0.10 0.00 0.00 0.00 0.00 23.12 21.56 2jvm s ALA 18 CO -0.07 -1.70 0.99 -2.14 0.00 0.00 0.00 175.76 172.85 2jvm s PRO 19 N 1.90 4.23 -0.68 0.00 0.02 -1.26 -4.95 135.00 134.26 2jvm s PRO 19 Ca 0.10 1.33 -0.26 0.00 0.02 0.00 0.00 61.00 62.19 2jvm s PRO 19 Cb -0.17 -2.43 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 2jvm s PRO 19 CO -0.31 -0.06 2.08 -1.21 -0.33 0.00 0.00 177.00 177.17 2jvm s GLU 20 N -2.70 2.35 0.07 5.54 2.02 -1.26 -4.93 118.70 119.79 2jvm s GLU 20 Ca 0.59 0.56 0.03 0.00 0.02 0.00 0.00 54.97 56.16 2jvm s GLU 20 Cb -0.17 -4.65 -0.04 0.00 0.10 0.00 0.00 34.13 29.38 2jvm s GLU 20 CO 0.21 -3.25 0.09 0.99 0.02 0.00 0.00 175.26 173.32 2jvm s THR 21 N 10.82 4.61 -0.22 3.63 2.01 -1.26 -4.89 115.64 130.34 2jvm s THR 21 Ca 0.78 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 2jvm s THR 21 Cb -0.12 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2jvm s THR 21 CO 0.15 0.14 0.83 -0.69 -0.69 0.00 0.00 174.62 174.35 2jvm s VAL 22 N -1.39 4.85 -0.17 3.82 1.01 -1.05 -4.95 120.40 122.52 2jvm s VAL 22 Ca 0.30 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.65 2jvm s VAL 22 Cb -0.12 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2jvm s VAL 22 CO 0.22 -0.04 0.61 -0.69 0.00 0.00 0.00 175.10 175.20 2jvm s VAL 23 N 2.62 5.05 0.19 2.92 1.01 -1.26 -0.92 120.40 130.02 2jvm s VAL 23 Ca 0.36 1.16 0.09 0.00 0.00 0.00 0.00 61.98 63.59 2jvm s VAL 23 Cb -0.16 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2jvm s VAL 23 CO 0.09 0.16 -0.19 0.68 0.00 0.00 0.00 175.10 175.84 2jvm s VAL 24 N 1.59 1.98 -0.53 2.92 -7.23 0.41 -4.90 120.40 114.64 2jvm s VAL 24 Ca 0.29 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2jvm s VAL 24 Cb -0.16 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.82 2jvm s VAL 24 CO 0.11 -0.32 0.50 -0.24 -0.31 0.00 0.00 175.10 174.84 2jvm n SER 25 N 0.11 1.00 -4.77 4.85 2.88 -1.26 -0.55 113.62 115.87 2jvm n SER 25 Ca -0.12 -1.00 -0.37 0.00 -1.33 0.00 0.00 58.87 56.05 2jvm n SER 25 Cb 0.58 0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 64.36 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 -0.87 5.22 0.13 2.46 -4.23 -1.26 -4.97 115.64 112.12 2jvm s THR 26 Ca 0.05 0.68 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 2jvm s THR 26 Cb 0.04 -3.67 -0.20 0.00 1.34 0.00 0.00 72.50 70.02 2jvm s THR 26 CO 0.13 0.46 1.30 -0.50 -0.54 0.00 0.00 174.62 175.47 2jvm h TRP 27 N 5.93 0.13 -3.36 3.99 4.06 -1.94 -3.39 115.95 121.36 2jvm h TRP 27 Ca -0.46 -0.08 -0.73 0.00 2.06 0.00 0.00 58.89 59.68 2jvm h TRP 27 Cb 1.19 -0.01 -0.21 0.00 -1.00 0.00 0.00 29.16 29.13 2jvm h TRP 27 CO 0.65 1.01 -0.30 -1.59 -3.56 0.00 0.00 178.44 174.64 2jvm s LYS 28 N -2.86 3.00 0.16 0.49 -2.85 -1.26 -0.45 119.74 115.96 2jvm s LYS 28 Ca -0.01 -1.19 -0.02 0.00 -1.00 0.00 0.00 55.97 53.75 2jvm s LYS 28 Cb 0.10 -4.08 -0.05 0.00 -2.06 0.00 0.00 37.83 31.74 2jvm s LYS 28 CO 0.83 -0.97 0.36 0.08 0.10 0.00 0.00 175.35 175.74 2jvm s VAL 29 N 1.79 5.21 -0.34 1.79 1.01 0.02 -4.89 120.40 124.99 2jvm s VAL 29 Ca 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2jvm s VAL 29 Cb -0.22 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2jvm s VAL 29 CO 0.08 -0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.20 2jvm s ALA 30 N -1.73 2.90 -0.14 5.51 0.00 -1.26 0.13 121.76 127.17 2jvm s ALA 30 Ca 0.39 -2.29 -0.26 0.00 0.00 0.00 0.00 51.96 49.81 2jvm s ALA 30 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 2jvm s ALA 30 CO 0.27 -1.57 0.85 0.00 0.00 0.00 0.00 175.76 175.30 2jvm n ASP 32 N 4.99 2.54 0.00 0.00 -0.08 -1.26 -1.64 116.55 121.10 2jvm n ASP 32 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2jvm n ASP 32 Cb 0.49 1.43 0.00 0.00 2.34 0.00 0.00 41.12 45.38 2jvm n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jvm n GLY 33 N 1.93 2.09 0.00 0.27 0.00 -1.26 -3.90 105.19 104.32 2jvm n GLY 33 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.57 3.65 -0.02 0.00 -1.26 -4.84 105.19 105.29 2jvm n GLY 34 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.86 -1.69 1.61 1.02 -1.26 -4.36 120.64 114.10 2jvm n GLU 35 Ca 0.00 -1.91 -0.44 0.00 -0.02 0.00 0.00 57.16 54.79 2jvm n GLU 35 Cb 0.00 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2jvm n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jvm n GLY 36 N -3.84 1.16 4.19 0.62 0.00 -1.26 -0.16 105.19 105.90 2jvm n GLY 36 Ca 0.16 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 2.96 0.00 0.06 4.61 0.00 -1.26 -4.58 120.51 122.30 2jvm n ALA 37 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 2jvm n ALA 37 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 2jvm n ALA 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jvm h LEU 38 N 0.00 0.00 -9.85 0.00 3.38 -1.71 -3.46 115.31 103.67 2jvm h LEU 38 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2jvm h LEU 38 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2jvm h LEU 38 CO 0.00 0.81 -0.53 -0.83 0.09 0.00 0.00 178.44 177.97 2jvm s GLY 39 N -4.73 1.74 0.74 0.83 0.00 0.78 -4.45 107.32 102.23 2jvm s GLY 39 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.50 2jvm s GLY 39 CO 0.80 -1.14 1.07 -2.38 0.00 0.00 0.00 173.10 171.45 2jvm s HIS 40 N -1.72 2.95 0.42 1.90 -3.43 -1.25 -4.80 115.29 109.36 2jvm s HIS 40 Ca 0.32 0.58 -0.24 0.00 -0.80 0.00 0.00 55.06 54.92 2jvm s HIS 40 Cb -0.11 -3.29 -0.10 0.00 -1.43 0.00 0.00 32.58 27.66 2jvm s HIS 40 CO 0.25 -1.52 1.06 -2.30 -2.00 0.00 0.00 174.74 170.24 2jvm n PRO 41 N -3.06 1.45 -1.85 -0.38 -0.02 -1.26 -4.63 135.00 125.25 2jvm n PRO 41 Ca 0.08 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 2jvm n PRO 41 Cb 0.60 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2jvm n PRO 41 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2jvm s ARG 42 N -2.06 3.71 0.19 -0.52 3.52 -1.26 -4.87 118.95 117.67 2jvm s ARG 42 Ca 0.63 2.03 0.07 0.00 -0.13 0.00 0.00 55.73 58.33 2jvm s ARG 42 Cb -0.55 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 28.64 2jvm s ARG 42 CO 0.57 -1.42 0.06 0.08 -0.81 0.00 0.00 175.30 173.78 2jvm s VAL 43 N 5.83 3.98 -0.15 7.11 1.01 -0.65 -4.93 120.40 132.60 2jvm s VAL 43 Ca 0.84 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2jvm s VAL 43 Cb -0.32 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2jvm s VAL 43 CO 0.34 -0.17 -0.05 0.26 0.00 0.00 0.00 175.10 175.48 2jvm s TRP 44 N -1.86 2.99 0.26 5.22 0.52 -1.26 0.15 118.94 124.96 2jvm s TRP 44 Ca 0.30 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 56.13 2jvm s TRP 44 Cb -0.09 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2jvm s TRP 44 CO 0.21 -0.08 0.01 -0.51 0.02 0.00 0.00 176.95 176.60 2jvm s LEU 45 N 0.40 3.26 -0.21 2.99 1.43 0.12 -4.94 118.68 121.72 2jvm s LEU 45 Ca -0.05 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2jvm s LEU 45 Cb -0.14 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.35 2jvm s LEU 45 CO 0.03 -0.00 -0.08 -0.55 0.23 0.00 0.00 176.35 175.99 2jvm s SER 46 N -3.68 3.57 -0.16 2.29 0.15 -1.26 -0.80 113.70 113.81 2jvm s SER 46 Ca 0.31 -1.00 -0.25 0.00 0.70 0.00 0.00 55.95 55.71 2jvm s SER 46 Cb -0.07 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.04 2jvm s SER 46 CO 0.20 -0.19 0.82 -0.63 1.20 0.00 0.00 173.24 174.65 2jvm s ILE 47 N 1.41 4.89 0.27 6.45 1.01 0.40 -5.02 121.20 130.61 2jvm s ILE 47 Ca -0.03 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 2jvm s ILE 47 Cb -0.17 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 2jvm s ILE 47 CO -0.07 0.04 1.44 -2.84 0.00 0.00 0.00 174.94 173.51 2jvm s PRO 48 N 2.04 4.26 0.31 2.79 0.02 -1.26 -4.90 135.00 138.25 2jvm s PRO 48 Ca 0.38 2.33 0.26 0.00 0.02 0.00 0.00 61.00 63.99 2jvm s PRO 48 Cb -0.17 -3.09 0.92 0.00 0.02 0.00 0.00 34.50 32.18 2jvm s PRO 48 CO 0.13 -0.41 1.76 0.45 -0.33 0.00 0.00 177.00 178.60 2jvm h HIS 49 N 4.65 0.00 -0.46 6.54 3.86 -1.99 -2.06 115.15 125.70 2jvm h HIS 49 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2jvm h HIS 49 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2jvm h HIS 49 CO 0.59 0.00 0.00 -0.85 0.86 0.00 0.00 177.93 178.53 2jvm n GLU 50 N -2.46 2.51 0.03 2.45 0.00 -1.26 -4.63 120.64 117.28 2jvm n GLU 50 Ca 0.03 -2.32 0.00 0.00 0.00 0.00 0.00 57.16 54.87 2jvm n GLU 50 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.28 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 1.43 0.54 -0.39 3.84 -2.24 -1.04 -5.06 114.28 111.35 2jvm n THR 51 Ca 0.20 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 2jvm n THR 51 Cb 0.59 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 3.29 1.03 3.32 3.38 0.00 -0.80 -4.94 105.19 110.46 2jvm n GLY 52 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.27 -0.14 1.61 -0.12 -1.26 -0.79 117.98 115.01 2jvm s PHE 53 Ca 0.00 0.28 -0.25 0.00 -0.05 0.00 0.00 56.93 56.91 2jvm s PHE 53 Cb 0.00 0.21 0.06 0.00 -0.63 0.00 0.00 43.02 42.66 2jvm s PHE 53 CO 0.00 -0.54 0.62 0.54 -0.05 0.00 0.00 175.22 175.79 2jvm s VAL 54 N -2.22 0.01 -0.11 -2.49 0.11 -0.25 -4.67 120.40 110.77 2jvm s VAL 54 Ca -0.07 -0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 2jvm s VAL 54 Cb -0.01 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2jvm s VAL 54 CO -0.01 -0.03 0.05 -1.61 -3.33 0.00 0.00 175.10 170.17 2jvm s GLU 55 N -0.47 3.26 0.03 1.54 2.02 -1.26 -0.46 118.70 123.35 2jvm s GLU 55 Ca -0.06 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2jvm s GLU 55 Cb -0.03 -2.96 -0.08 0.00 0.10 0.00 0.00 34.13 31.17 2jvm s GLU 55 CO 0.05 0.66 1.70 0.00 0.02 0.00 0.00 175.26 177.69 2jvm n GLY 57 N 4.11 3.23 1.65 0.00 0.00 -1.26 -3.75 105.19 109.17 2jvm n GLY 57 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.31 -2.06 -3.85 1.61 4.19 -1.26 -5.14 117.16 111.96 2jvm n TYR 58 Ca 0.22 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.21 2jvm n TYR 58 Cb 0.61 0.41 -0.04 0.00 0.49 0.00 0.00 39.34 40.81 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 -1.35 0.03 -4.84 0.00 2.03 -1.26 -4.25 116.55 106.91 2jvm n ASP 60 Ca -0.01 -0.68 -0.32 0.00 0.52 0.00 0.00 54.79 54.30 2jvm n ASP 60 Cb 0.61 -0.11 -0.04 0.00 -0.72 0.00 0.00 41.12 40.86 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jvm s ARG 61 N -2.23 4.00 0.10 -0.67 0.52 -1.26 -4.90 118.95 114.52 2jvm s ARG 61 Ca 0.40 0.94 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 2jvm s ARG 61 Cb 0.21 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 2jvm s ARG 61 CO 0.41 -0.17 -0.19 0.50 0.02 0.00 0.00 175.30 175.86 2jvm s ARG 62 N -3.79 1.06 -0.06 3.54 3.52 -1.26 -1.78 118.95 120.18 2jvm s ARG 62 Ca 0.59 -1.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2jvm s ARG 62 Cb -0.10 -1.25 0.00 0.00 -1.56 0.00 0.00 34.95 32.04 2jvm s ARG 62 CO 0.26 0.29 -0.15 0.71 -0.81 0.00 0.00 175.30 175.59 2jvm s TYR 63 N -1.25 1.67 -0.08 5.12 1.51 0.39 -2.54 117.35 122.17 2jvm s TYR 63 Ca 0.05 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 2jvm s TYR 63 Cb -0.10 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2jvm s TYR 63 CO 0.04 -0.24 -0.17 0.42 -1.11 0.00 0.00 175.55 174.49 2jvm s ILE 64 N 0.35 1.51 0.44 2.71 -1.09 -0.10 -1.10 121.20 123.93 2jvm s ILE 64 Ca -0.10 -0.70 -0.24 0.00 -2.23 0.00 0.00 60.65 57.38 2jvm s ILE 64 Cb -0.14 -1.34 -0.08 0.00 -1.58 0.00 0.00 42.46 39.33 2jvm s ILE 64 CO 0.04 0.44 1.18 -2.28 -1.23 0.00 0.00 174.94 173.08 2jvm s HIS 65 N 0.53 2.92 0.51 3.97 5.65 0.03 -0.45 115.29 128.45 2jvm s HIS 65 Ca -0.16 1.53 0.25 0.00 0.25 0.00 0.00 55.06 56.93 2jvm s HIS 65 Cb -0.17 -3.41 1.36 0.00 -1.18 0.00 0.00 32.58 29.18 2jvm s HIS 65 CO 0.06 -1.50 1.95 1.05 -0.65 0.00 0.00 174.74 175.64 2jvm h GLU 66 N 2.24 0.08 0.00 2.88 4.11 -1.15 0.16 114.58 122.89 2jvm h GLU 66 Ca -0.49 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 2jvm h GLU 66 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2jvm h GLU 66 CO 0.61 0.05 -0.20 1.03 0.07 0.00 0.00 179.01 180.57 2jvm h SER 67 N 0.08 0.00 0.40 3.06 0.87 -1.91 -2.88 113.55 113.18 2jvm h SER 67 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2jvm h SER 67 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2jvm h SER 67 CO -0.03 0.20 -0.83 0.33 -0.53 0.00 0.00 176.83 175.96 2jvm n PHE 68 N -3.30 0.15 0.54 2.24 7.35 0.52 -4.06 117.46 120.89 2jvm n PHE 68 Ca 0.01 0.04 0.07 0.00 -0.76 0.00 0.00 57.45 56.81 2jvm n PHE 68 Cb 0.45 -0.32 0.32 0.00 0.35 0.00 0.00 39.48 40.28 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 -1.67 1.69 0.22 3.13 0.00 -0.99 -2.28 120.51 120.61 2jvm n ALA 69 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2jvm n ALA 69 Cb 0.39 -1.23 0.50 0.00 0.00 0.00 0.00 19.45 19.10 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 2.54 1.24 -0.21 0.00 0.00 -1.74 -2.52 119.26 118.56 2jvm h ALA 70 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jvm h ALA 70 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jvm h ALA 70 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2jvm n ALA 71 N -2.34 2.47 0.65 0.00 0.00 -0.96 -3.31 120.51 117.01 2jvm n ALA 71 Ca -0.01 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.17 2jvm n ALA 71 Cb 0.37 -0.99 0.15 0.00 0.00 0.00 0.00 19.45 18.98 2jvm n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jvm n LYS 72 N 0.12 0.24 -3.05 0.00 3.00 -0.95 -4.92 118.16 112.60 2jvm n LYS 72 Ca 0.07 0.05 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 2jvm n LYS 72 Cb 0.18 -1.63 0.01 0.00 0.00 0.00 0.00 35.03 33.60 2jvm n LYS 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jvm s LEU 73 N -3.92 3.67 0.00 3.14 1.43 -1.21 -4.99 118.68 116.80 2jvm s LEU 73 Ca 0.06 0.12 0.17 0.00 -1.03 0.00 0.00 54.13 53.45 2jvm s LEU 73 Cb 0.14 -3.01 0.78 0.00 0.03 0.00 0.00 46.19 44.13 2jvm s LEU 73 CO 0.74 -0.70 1.53 -1.84 0.23 0.00 0.00 176.35 176.30 2jvm n GLU 74 N -2.01 1.33 -2.54 1.70 0.28 -1.26 -4.85 120.64 113.29 2jvm n GLU 74 Ca 0.02 -0.51 -0.43 0.00 -0.16 0.00 0.00 57.16 56.08 2jvm n GLU 74 Cb 0.58 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 32.14 2jvm n GLU 74 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2jvm s HIS 75 N -1.88 2.72 -0.26 -1.84 2.46 -1.26 -4.95 115.29 110.28 2jvm s HIS 75 Ca 0.26 0.71 -0.01 0.00 0.47 0.00 0.00 55.06 56.49 2jvm s HIS 75 Cb 0.13 -4.40 0.14 0.00 -0.13 0.00 0.00 32.58 28.32 2jvm s HIS 75 CO 0.20 -1.44 0.38 -3.38 -2.47 0.00 0.00 174.74 168.03 2jvm s HIS 76 N 4.69 -0.85 -0.02 3.88 -3.43 -1.26 -5.05 115.29 113.24 2jvm s HIS 76 Ca 0.51 0.65 -0.00 0.00 -0.80 0.00 0.00 55.06 55.42 2jvm s HIS 76 Cb -0.09 -0.05 0.03 0.00 -1.43 0.00 0.00 32.58 31.04 2jvm s HIS 76 CO 0.32 -0.80 0.04 -1.58 -2.00 0.00 0.00 174.74 170.72 2jvm s HIS 77 N 2.54 0.00 0.18 0.38 5.04 -1.26 -5.15 115.29 117.02 2jvm s HIS 77 Ca 0.12 0.15 0.01 0.00 -1.54 0.00 0.00 55.06 53.81 2jvm s HIS 77 Cb -0.15 -0.19 -0.01 0.00 0.04 0.00 0.00 32.58 32.28 2jvm s HIS 77 CO -0.20 -0.09 0.05 0.72 -2.34 0.00 0.00 174.74 172.88 2jvm n HIS 78 N 4.05 0.13 -0.86 3.88 8.25 -1.26 -4.86 115.22 124.56 2jvm n HIS 78 Ca -0.26 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.10 2jvm n HIS 78 Cb 0.51 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2jvm n HIS 78 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jvm n HIS 79 N -0.41 0.00 -0.27 4.41 8.25 -1.26 -5.36 115.22 120.58 2jvm n HIS 79 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2jvm n HIS 79 Cb 0.26 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2jvm n HIS 79 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56