#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 0.17 -0.05 0.03 3.52 -1.26 -5.12 118.95 116.24 2jvm s ARG 2 Ca 0.00 0.64 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 2jvm s ARG 2 Cb 0.00 -0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.13 2jvm s ARG 2 CO 0.00 -0.37 -0.14 1.03 -0.81 0.00 0.00 175.30 175.00 2jvm s ARG 3 N 2.41 1.61 -0.46 5.12 0.52 -1.26 -5.12 118.95 121.78 2jvm s ARG 3 Ca 0.03 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2jvm s ARG 3 Cb -0.13 -1.39 0.12 0.00 0.52 0.00 0.00 34.95 34.07 2jvm s ARG 3 CO -0.10 0.16 0.19 -0.65 0.02 0.00 0.00 175.30 174.92 2jvm s GLN 4 N 0.24 1.80 -1.07 3.54 -1.52 -1.26 -5.01 119.66 116.38 2jvm s GLN 4 Ca -0.07 -2.37 -0.13 0.00 -1.95 0.00 0.00 55.36 50.84 2jvm s GLN 4 Cb -0.12 -3.26 0.20 0.00 -0.22 0.00 0.00 33.01 29.61 2jvm s GLN 4 CO 0.02 -1.06 1.18 -1.25 -0.25 0.00 0.00 175.29 173.94 2jvm s PRO 5 N 0.10 3.96 -0.09 2.91 0.04 -1.26 -4.88 135.00 135.78 2jvm s PRO 5 Ca 0.15 -2.59 -0.21 0.00 0.04 0.00 0.00 61.00 58.39 2jvm s PRO 5 Cb -0.24 -4.80 -0.17 0.00 0.04 0.00 0.00 34.50 29.33 2jvm s PRO 5 CO -0.03 -1.55 0.75 -0.22 0.04 0.00 0.00 177.00 175.99 2jvm h LYS 6 N 7.43 -0.08 -5.35 4.56 3.64 -1.96 -3.43 116.57 121.39 2jvm h LYS 6 Ca 0.22 0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.95 2jvm h LYS 6 Cb 0.93 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.61 2jvm h LYS 6 CO 1.08 0.48 0.08 0.99 -2.27 0.00 0.00 179.45 179.81 2jvm s THR 7 N -2.81 4.88 0.13 1.00 2.01 -1.26 -4.57 115.64 115.02 2jvm s THR 7 Ca -0.13 0.16 0.10 0.00 0.31 0.00 0.00 61.69 62.13 2jvm s THR 7 Cb -0.01 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2jvm s THR 7 CO 0.50 -0.50 -0.24 -0.13 -0.69 0.00 0.00 174.62 173.55 2jvm s ARG 8 N 2.69 1.52 -1.49 4.92 3.00 -1.24 -5.03 118.95 123.31 2jvm s ARG 8 Ca 0.21 -1.30 -0.09 0.00 0.00 0.00 0.00 55.73 54.56 2jvm s ARG 8 Cb -0.15 -1.96 0.01 0.00 0.00 0.00 0.00 34.95 32.85 2jvm s ARG 8 CO 0.17 0.46 2.63 1.04 0.00 0.00 0.00 175.30 179.60 2jvm n GLN 9 N 0.88 3.87 0.00 3.54 6.02 -1.26 -4.53 117.38 125.90 2jvm n GLN 9 Ca -0.17 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 2jvm n GLN 9 Cb 0.53 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 28.97 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 3.34 3.75 -4.33 -1.09 1.02 -1.26 -5.09 120.64 116.98 2jvm n GLU 10 Ca 0.68 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.65 2jvm n GLU 10 Cb 0.26 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.58 2jvm n GLU 10 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jvm s SER 11 N -0.40 2.11 -0.42 1.62 0.01 -1.24 -4.63 113.70 110.73 2jvm s SER 11 Ca 0.00 -1.13 0.02 0.00 1.31 0.00 0.00 55.95 56.14 2jvm s SER 11 Cb 0.00 -0.05 0.14 0.00 0.21 0.00 0.00 66.02 66.32 2jvm s SER 11 CO 0.00 -0.39 0.24 0.00 0.41 0.00 0.00 173.24 173.51 2jvm s ALA 12 N -3.25 1.84 -0.67 1.44 0.00 -1.26 -1.76 121.76 118.09 2jvm s ALA 12 Ca 0.25 -2.43 -0.06 0.00 0.00 0.00 0.00 51.96 49.72 2jvm s ALA 12 Cb 0.04 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2jvm s ALA 12 CO 0.07 -2.07 2.99 -2.13 0.00 0.00 0.00 175.76 174.61 2jvm n ARG 13 N 3.59 2.92 -4.03 0.00 0.00 -1.26 -4.84 116.66 113.04 2jvm n ARG 13 Ca 0.11 -2.14 -0.08 0.00 -0.00 0.00 0.00 57.85 55.74 2jvm n ARG 13 Cb 0.36 -2.30 -0.10 0.00 0.00 0.00 0.00 32.46 30.42 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 -0.18 0.57 -0.09 -0.14 -1.94 -1.26 -5.02 119.30 111.24 2jvm s MET 14 Ca 0.62 -1.04 0.16 0.00 -1.71 0.00 0.00 55.69 53.72 2jvm s MET 14 Cb 0.29 0.20 0.31 0.00 2.01 0.00 0.00 34.83 37.65 2jvm s MET 14 CO -0.11 -0.12 1.16 0.43 -0.01 0.00 0.00 175.02 176.38 2jvm n SER 15 N 0.44 0.15 -4.96 3.03 7.64 -1.26 -4.94 113.62 113.72 2jvm n SER 15 Ca -0.16 -2.03 -0.20 0.00 1.01 0.00 0.00 58.87 57.48 2jvm n SER 15 Cb 0.60 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 2jvm n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jvm s ILE 16 N -0.64 4.46 -0.18 0.44 1.09 -1.26 -5.04 121.20 120.06 2jvm s ILE 16 Ca 0.19 -1.05 -0.29 0.00 -1.10 0.00 0.00 60.65 58.40 2jvm s ILE 16 Cb 0.27 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 38.09 2jvm s ILE 16 CO -0.09 -0.23 1.58 -1.83 -0.10 0.00 0.00 174.94 174.27 2jvm s GLU 17 N -4.07 3.93 0.06 2.79 -1.05 -1.26 -5.00 118.70 114.10 2jvm s GLU 17 Ca 0.40 1.78 0.06 0.00 -0.15 0.00 0.00 54.97 57.05 2jvm s GLU 17 Cb -0.09 -3.99 -0.03 0.00 -0.44 0.00 0.00 34.13 29.58 2jvm s GLU 17 CO 0.30 -1.13 -0.15 0.00 0.95 0.00 0.00 175.26 175.22 2jvm s ALA 18 N 4.75 1.29 -0.78 -0.84 0.00 -1.26 -5.09 121.76 119.83 2jvm s ALA 18 Ca 0.70 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2jvm s ALA 18 Cb -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2jvm s ALA 18 CO 0.28 0.23 1.64 -1.25 0.00 0.00 0.00 175.76 176.66 2jvm s PRO 19 N -1.44 2.94 0.00 0.00 0.04 -1.26 -4.80 135.00 130.47 2jvm s PRO 19 Ca 0.01 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2jvm s PRO 19 Cb -0.09 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.83 2jvm s PRO 19 CO 0.02 -2.60 0.00 0.39 0.04 0.00 0.00 177.00 174.85 2jvm n GLU 20 N 9.13 0.00 -1.41 4.56 -0.58 -1.26 -5.16 120.64 125.92 2jvm n GLU 20 Ca 0.21 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.67 2jvm n GLU 20 Cb 0.50 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.52 2jvm n GLU 20 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2jvm s THR 21 N -2.01 1.99 -0.66 2.62 -1.32 -1.26 -4.95 115.64 110.06 2jvm s THR 21 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 2jvm s THR 21 Cb 0.00 -2.66 0.04 0.00 -1.51 0.00 0.00 72.50 68.37 2jvm s THR 21 CO 0.00 0.00 1.14 -0.69 -2.21 0.00 0.00 174.62 172.86 2jvm s VAL 22 N -3.18 4.01 -0.16 5.08 1.01 -1.19 -4.95 120.40 121.03 2jvm s VAL 22 Ca 0.65 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 2jvm s VAL 22 Cb -0.16 -4.77 -0.02 0.00 0.00 0.00 0.00 36.38 31.44 2jvm s VAL 22 CO 0.55 -1.55 0.84 -0.69 0.00 0.00 0.00 175.10 174.25 2jvm s VAL 23 N 4.95 4.88 0.14 2.92 1.01 -1.26 -0.28 120.40 132.76 2jvm s VAL 23 Ca 0.34 1.66 0.11 0.00 0.00 0.00 0.00 61.98 64.08 2jvm s VAL 23 Cb -0.10 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2jvm s VAL 23 CO 0.17 0.04 -0.26 0.68 0.00 0.00 0.00 175.10 175.73 2jvm s VAL 24 N 2.05 2.29 -1.17 2.92 -7.23 0.53 -4.90 120.40 114.88 2jvm s VAL 24 Ca 0.39 -1.79 0.16 0.00 -1.81 0.00 0.00 61.98 58.93 2jvm s VAL 24 Cb -0.17 -2.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 2jvm s VAL 24 CO 0.13 0.06 0.77 -0.24 -0.31 0.00 0.00 175.10 175.51 2jvm n SER 25 N 0.82 1.26 -4.36 4.85 2.88 -1.26 -0.76 113.62 117.04 2jvm n SER 25 Ca -0.17 -1.13 -0.32 0.00 -1.33 0.00 0.00 58.87 55.92 2jvm n SER 25 Cb 0.53 0.68 -0.15 0.00 -0.75 0.00 0.00 64.21 64.53 2jvm n SER 25 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jvm s THR 26 N -2.12 2.63 0.11 2.46 2.01 -1.26 -4.97 115.64 114.50 2jvm s THR 26 Ca 0.10 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 2jvm s THR 26 Cb 0.12 -2.02 -0.19 0.00 0.01 0.00 0.00 72.50 70.42 2jvm s THR 26 CO 0.49 0.57 1.27 -0.50 -0.69 0.00 0.00 174.62 175.76 2jvm h TRP 27 N 6.00 0.80 -3.33 4.92 4.06 -1.92 -3.41 115.95 123.07 2jvm h TRP 27 Ca -0.35 -0.43 -0.71 0.00 2.06 0.00 0.00 58.89 59.47 2jvm h TRP 27 Cb 1.18 -0.10 -0.20 0.00 -1.00 0.00 0.00 29.16 29.04 2jvm h TRP 27 CO 0.47 1.25 -0.17 0.15 -3.56 0.00 0.00 178.44 176.58 2jvm s LYS 28 N -3.34 3.05 -0.13 0.49 1.02 -1.26 -0.36 119.74 119.21 2jvm s LYS 28 Ca -0.08 -1.06 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 2jvm s LYS 28 Cb 0.08 -4.09 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 2jvm s LYS 28 CO 0.89 -1.06 -0.11 0.14 -0.92 0.00 0.00 175.35 174.29 2jvm s VAL 29 N 2.10 3.27 -0.47 3.17 -7.23 -0.59 -4.93 120.40 115.72 2jvm s VAL 29 Ca 0.10 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 59.48 2jvm s VAL 29 Cb -0.21 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.38 2jvm s VAL 29 CO 0.10 0.52 0.64 0.00 -0.31 0.00 0.00 175.10 176.05 2jvm s ALA 30 N 0.30 3.35 -0.10 1.32 0.00 -1.26 -0.39 121.76 124.99 2jvm s ALA 30 Ca -0.08 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 2jvm s ALA 30 Cb -0.15 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2jvm s ALA 30 CO 0.05 -1.90 0.22 0.00 0.00 0.00 0.00 175.76 174.13 2jvm n ASP 32 N 2.19 1.70 0.00 0.00 2.03 -1.26 0.21 116.55 121.42 2jvm n ASP 32 Ca -0.17 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 52.84 2jvm n ASP 32 Cb 0.54 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.75 1.49 3.24 0.27 0.00 -1.25 -4.32 105.19 103.86 2jvm n GLY 33 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2jvm n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jvm s GLY 34 N 0.00 0.04 0.33 -0.02 0.00 -1.26 -4.86 107.32 101.56 2jvm s GLY 34 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 43.92 2jvm s GLY 34 CO 0.00 -0.71 1.18 1.18 0.00 0.00 0.00 173.10 174.75 2jvm n GLU 35 N -0.10 1.82 0.00 2.90 4.71 -1.26 -4.07 120.64 124.63 2jvm n GLU 35 Ca -0.15 0.64 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 2jvm n GLU 35 Cb 0.63 -2.15 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 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 0.94 0.50 0.52 0.62 0.00 -1.26 -3.66 105.19 102.85 2jvm n GLY 36 Ca 0.07 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 8.99 3.19 -0.95 4.61 0.00 -1.26 -4.76 120.51 130.33 2jvm n ALA 37 Ca 0.00 -3.03 -0.17 0.00 0.00 0.00 0.00 53.44 50.24 2jvm n ALA 37 Cb 0.00 -0.38 0.19 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.08 6.20 -4.17 0.00 4.77 -1.24 -4.94 117.00 116.55 2jvm n LEU 38 Ca 0.17 -3.29 -0.15 0.00 -0.03 0.00 0.00 56.01 52.72 2jvm n LEU 38 Cb 0.71 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2jvm n LEU 38 CO -0.03 0.93 -0.03 -0.83 -1.33 0.00 0.00 177.39 176.11 2jvm s GLY 39 N -1.01 1.63 0.55 -0.72 0.00 -1.26 -4.08 107.32 102.43 2jvm s GLY 39 Ca 0.51 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 2jvm s GLY 39 CO 0.11 -1.21 0.81 -2.38 0.00 0.00 0.00 173.10 170.43 2jvm s HIS 40 N -3.57 3.10 0.62 1.90 -3.43 -1.26 -4.79 115.29 107.87 2jvm s HIS 40 Ca 0.35 0.32 -0.19 0.00 -0.80 0.00 0.00 55.06 54.74 2jvm s HIS 40 Cb 0.02 -2.66 -0.02 0.00 -1.43 0.00 0.00 32.58 28.49 2jvm s HIS 40 CO 0.19 -0.75 1.24 -2.30 -2.00 0.00 0.00 174.74 171.12 2jvm n PRO 41 N -2.40 1.17 -1.64 -0.38 -0.02 -1.26 -3.86 135.00 126.61 2jvm n PRO 41 Ca 0.05 0.45 -0.49 0.00 -2.02 0.00 0.00 63.50 61.49 2jvm n PRO 41 Cb 0.58 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 2jvm n PRO 41 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jvm n ARG 42 N -1.59 1.76 -4.25 -0.52 0.63 -1.26 -4.77 116.66 106.66 2jvm n ARG 42 Ca 0.15 0.64 -0.14 0.00 -0.92 0.00 0.00 57.85 57.57 2jvm n ARG 42 Cb 0.47 -2.36 -0.10 0.00 0.45 0.00 0.00 32.46 30.92 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 1.09 0.76 -0.22 5.15 0.11 0.13 -4.98 120.40 122.44 2jvm s VAL 43 Ca 0.83 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 2jvm s VAL 43 Cb -0.79 -2.10 0.03 0.00 -1.53 0.00 0.00 36.38 31.99 2jvm s VAL 43 CO 0.43 -0.50 -0.13 0.26 -3.33 0.00 0.00 175.10 171.83 2jvm s TRP 44 N -3.60 3.00 0.27 1.54 0.52 -1.26 -0.47 118.94 118.94 2jvm s TRP 44 Ca 0.23 -1.76 0.08 0.00 0.02 0.00 0.00 56.10 54.67 2jvm s TRP 44 Cb 0.06 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 2jvm s TRP 44 CO 0.04 -0.79 0.16 -0.51 0.02 0.00 0.00 176.95 175.86 2jvm s LEU 45 N 1.26 3.63 -0.16 2.99 1.43 0.48 -4.97 118.68 123.35 2jvm s LEU 45 Ca -0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2jvm s LEU 45 Cb -0.16 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 43.95 2jvm s LEU 45 CO -0.08 -0.07 0.04 -0.55 0.23 0.00 0.00 176.35 175.92 2jvm s SER 46 N -3.82 2.44 0.05 2.29 0.15 -1.26 -1.54 113.70 112.01 2jvm s SER 46 Ca 0.33 -0.58 -0.31 0.00 0.70 0.00 0.00 55.95 56.10 2jvm s SER 46 Cb -0.07 -0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 63.69 2jvm s SER 46 CO 0.24 -0.28 1.27 -0.63 1.20 0.00 0.00 173.24 175.03 2jvm s ILE 47 N 1.94 3.85 -0.09 6.45 1.01 0.51 -4.95 121.20 129.93 2jvm s ILE 47 Ca 0.01 1.31 -0.37 0.00 0.00 0.00 0.00 60.65 61.59 2jvm s ILE 47 Cb -0.16 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.33 2jvm s ILE 47 CO -0.07 0.08 1.64 -2.65 0.00 0.00 0.00 174.94 173.94 2jvm n PRO 48 N 4.26 1.47 0.09 2.79 -0.02 -1.26 -4.86 135.00 137.47 2jvm n PRO 48 Ca 0.10 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2jvm n PRO 48 Cb 0.45 -2.25 0.44 0.00 -0.02 0.00 0.00 33.50 32.12 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 4.62 0.78 0.81 6.00 8.25 -1.26 -2.12 115.22 132.30 2jvm n HIS 49 Ca 0.22 0.23 0.09 0.00 -0.26 0.00 0.00 57.72 58.00 2jvm n HIS 49 Cb 0.20 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 30.42 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 -2.14 1.48 -0.11 -0.41 0.00 -1.26 -4.54 120.64 113.67 2jvm n GLU 50 Ca 0.06 -0.71 -0.18 0.00 0.00 0.00 0.00 57.16 56.33 2jvm n GLU 50 Cb 0.42 -1.34 -0.06 0.00 0.00 0.00 0.00 31.44 30.46 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 -0.34 1.50 0.00 3.84 -2.24 -1.13 -5.03 114.28 110.88 2jvm n THR 51 Ca 0.07 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2jvm n THR 51 Cb 0.36 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 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 1.40 0.79 3.32 3.38 0.00 -0.90 -5.05 105.19 108.14 2jvm n GLY 52 Ca -0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 -0.05 1.61 -0.71 -1.26 -0.36 117.98 114.95 2jvm s PHE 53 Ca 0.00 0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 55.89 2jvm s PHE 53 Cb 0.00 0.24 0.03 0.00 -1.21 0.00 0.00 43.02 42.07 2jvm s PHE 53 CO 0.00 -0.61 0.31 0.54 -1.34 0.00 0.00 175.22 174.12 2jvm s VAL 54 N -2.87 0.04 -0.14 -2.49 0.11 0.37 -4.43 120.40 110.99 2jvm s VAL 54 Ca -0.03 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.66 2jvm s VAL 54 Cb 0.00 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 2jvm s VAL 54 CO -0.05 -0.18 -0.00 -0.70 -3.33 0.00 0.00 175.10 170.84 2jvm s GLU 55 N -0.84 3.56 -0.70 1.54 2.12 -1.26 -0.23 118.70 122.90 2jvm s GLU 55 Ca -0.09 -0.44 -0.24 0.00 0.36 0.00 0.00 54.97 54.55 2jvm s GLU 55 Cb -0.04 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.44 2jvm s GLU 55 CO 0.03 0.38 1.10 0.00 -0.54 0.00 0.00 175.26 176.23 2jvm h GLY 57 N 12.03 0.00 1.01 0.00 0.00 -1.90 -1.14 103.07 113.08 2jvm h GLY 57 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 2jvm h GLY 57 CO 1.22 0.00 -1.43 -0.97 0.00 0.00 0.00 176.54 175.36 2jvm h TYR 58 N 0.00 0.00 0.00 5.60 0.05 -1.97 -3.44 116.97 117.21 2jvm h TYR 58 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jvm h TYR 58 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2jvm h TYR 58 CO 0.00 0.63 0.00 0.00 -1.05 0.00 0.00 178.16 177.74 2jvm n ASP 60 N -0.63 0.00 -4.67 0.00 2.03 -0.45 -5.04 116.55 107.79 2jvm n ASP 60 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 2jvm n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.92 -4.11 -0.67 1.74 -1.26 -4.45 116.66 109.83 2jvm n ARG 61 Ca 0.00 0.68 -0.34 0.00 -0.77 0.00 0.00 57.85 57.41 2jvm n ARG 61 Cb 0.00 -2.23 -0.11 0.00 -1.02 0.00 0.00 32.46 29.10 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 -1.42 3.86 -0.07 5.56 3.52 -1.26 -1.20 118.95 127.94 2jvm s ARG 62 Ca 0.60 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 2jvm s ARG 62 Cb -0.62 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 2jvm s ARG 62 CO 0.58 0.23 -0.05 0.71 -0.81 0.00 0.00 175.30 175.96 2jvm s TYR 63 N 0.45 2.98 0.03 5.12 2.02 0.68 -3.15 117.35 125.49 2jvm s TYR 63 Ca 0.01 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2jvm s TYR 63 Cb -0.13 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2jvm s TYR 63 CO 0.01 0.36 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.73 2jvm s ILE 64 N -0.83 0.96 0.45 2.71 2.07 0.61 -0.48 121.20 126.68 2jvm s ILE 64 Ca 0.13 -0.87 -0.23 0.00 -1.41 0.00 0.00 60.65 58.27 2jvm s ILE 64 Cb -0.11 -0.87 -0.08 0.00 0.13 0.00 0.00 42.46 41.53 2jvm s ILE 64 CO 0.02 0.01 1.11 -2.28 -1.91 0.00 0.00 174.94 171.88 2jvm s HIS 65 N -0.77 3.01 0.25 3.50 5.65 0.51 -0.35 115.29 127.09 2jvm s HIS 65 Ca 0.01 1.58 -0.05 0.00 0.25 0.00 0.00 55.06 56.85 2jvm s HIS 65 Cb -0.07 -3.25 0.49 0.00 -1.18 0.00 0.00 32.58 28.56 2jvm s HIS 65 CO 0.01 -1.14 1.67 1.05 -0.65 0.00 0.00 174.74 175.68 2jvm h GLU 66 N 2.08 0.22 -0.22 2.88 4.11 -1.29 -1.60 114.58 120.76 2jvm h GLU 66 Ca -0.49 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 58.78 2jvm h GLU 66 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2jvm h GLU 66 CO 0.61 0.14 -0.48 1.03 0.07 0.00 0.00 179.01 180.38 2jvm h SER 67 N 0.22 0.62 1.67 3.06 0.87 -1.83 -2.04 113.55 116.13 2jvm h SER 67 Ca 0.43 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2jvm h SER 67 Cb 0.76 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2jvm h SER 67 CO -0.56 1.00 0.00 -0.26 -0.53 0.00 0.00 176.83 176.48 2jvm h PHE 68 N 0.46 0.00 0.00 2.24 -1.00 -1.63 -3.30 116.94 113.71 2jvm h PHE 68 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2jvm h PHE 68 Cb 1.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.56 2jvm h PHE 68 CO 0.04 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.74 2jvm n ALA 69 N -1.98 0.00 -2.62 2.45 0.00 -0.68 -4.77 120.51 112.92 2jvm n ALA 69 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2jvm n ALA 69 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.67 0.56 -1.69 0.00 0.00 -1.06 -4.75 120.51 111.90 2jvm n ALA 70 Ca 0.00 -0.65 -0.44 0.00 0.00 0.00 0.00 53.44 52.35 2jvm n ALA 70 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 2jvm n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jvm n ALA 71 N -0.83 1.47 0.00 0.00 0.00 -0.79 -4.70 120.51 115.65 2jvm n ALA 71 Ca -0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2jvm n ALA 71 Cb 0.73 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 1.74 0.00 -2.03 0.00 4.81 -0.72 -4.54 118.16 117.42 2jvm n LYS 72 Ca 0.09 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.21 2jvm n LYS 72 Cb 0.34 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.39 2jvm n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jvm s LEU 73 N -0.55 3.46 0.35 3.14 1.43 -0.83 -4.77 118.68 120.91 2jvm s LEU 73 Ca 0.00 1.74 -0.03 0.00 -1.03 0.00 0.00 54.13 54.81 2jvm s LEU 73 Cb 0.00 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.71 2jvm s LEU 73 CO 0.00 -1.11 0.51 -1.83 0.23 0.00 0.00 176.35 174.15 2jvm s GLU 74 N -4.24 1.97 -0.48 1.70 -1.05 -1.26 -3.71 118.70 111.63 2jvm s GLU 74 Ca 0.62 -1.76 0.05 0.00 -0.15 0.00 0.00 54.97 53.73 2jvm s GLU 74 Cb -0.15 0.46 0.22 0.00 -0.44 0.00 0.00 34.13 34.22 2jvm s GLU 74 CO 0.39 -0.83 0.86 0.72 0.95 0.00 0.00 175.26 177.35 2jvm n HIS 75 N -0.58 -3.18 -2.33 4.83 8.25 -1.26 -4.88 115.22 116.08 2jvm n HIS 75 Ca 0.00 -1.41 -0.03 0.00 -0.26 0.00 0.00 57.72 56.03 2jvm n HIS 75 Cb 0.61 1.46 0.00 0.00 1.12 0.00 0.00 29.99 33.19 2jvm n HIS 75 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jvm n HIS 76 N 2.31 -2.42 -2.17 4.41 8.25 -1.26 -4.97 115.22 119.37 2jvm n HIS 76 Ca 0.13 1.03 -0.41 0.00 -0.26 0.00 0.00 57.72 58.21 2jvm n HIS 76 Cb 0.60 -3.16 -0.02 0.00 1.12 0.00 0.00 29.99 28.54 2jvm n HIS 76 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jvm s HIS 77 N -1.57 3.13 -0.02 4.41 -3.43 -1.26 -4.89 115.29 111.65 2jvm s HIS 77 Ca 0.08 1.46 -0.35 0.00 -0.80 0.00 0.00 55.06 55.46 2jvm s HIS 77 Cb -0.02 -3.61 -0.13 0.00 -1.43 0.00 0.00 32.58 27.38 2jvm s HIS 77 CO 0.50 -1.64 1.72 -2.39 -2.00 0.00 0.00 174.74 170.93 2jvm n HIS 78 N 0.83 2.19 1.09 0.38 1.44 -1.26 -4.84 115.22 115.05 2jvm n HIS 78 Ca -0.00 0.22 0.13 0.00 -2.01 0.00 0.00 57.72 56.06 2jvm n HIS 78 Cb 0.42 -2.57 0.47 0.00 0.12 0.00 0.00 29.99 28.43 2jvm n HIS 78 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jvm n HIS 79 N 5.09 0.00 -0.67 -1.40 -0.00 -1.26 -5.27 115.22 111.71 2jvm n HIS 79 Ca 0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2jvm n HIS 79 Cb 0.26 -0.33 0.00 0.00 -0.12 0.00 0.00 29.99 29.80 2jvm n HIS 79 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52