#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 1.86 -0.30 0.03 1.04 -1.26 -5.04 118.95 115.28 2jvm s ARG 2 Ca 0.00 -1.79 -0.08 0.00 -1.04 0.00 0.00 55.73 52.81 2jvm s ARG 2 Cb 0.00 -3.42 0.14 0.00 -2.04 0.00 0.00 34.95 29.63 2jvm s ARG 2 CO 0.00 -0.99 0.63 -0.98 -0.04 0.00 0.00 175.30 173.92 2jvm s ARG 3 N 1.07 0.57 -0.28 3.89 1.70 -1.26 -5.12 118.95 119.52 2jvm s ARG 3 Ca 0.08 1.36 0.01 0.00 -0.47 0.00 0.00 55.73 56.70 2jvm s ARG 3 Cb -0.21 0.79 0.15 0.00 -0.57 0.00 0.00 34.95 35.11 2jvm s ARG 3 CO -0.05 -0.28 0.39 -1.14 -1.08 0.00 0.00 175.30 173.14 2jvm s GLN 4 N 2.88 0.39 0.29 3.89 0.74 -1.26 -5.16 119.66 121.42 2jvm s GLN 4 Ca -0.01 0.17 -0.08 0.00 0.05 0.00 0.00 55.36 55.49 2jvm s GLN 4 Cb -0.13 -0.39 -0.06 0.00 1.10 0.00 0.00 33.01 33.54 2jvm s GLN 4 CO -0.19 -0.96 0.59 -1.25 -0.55 0.00 0.00 175.29 172.93 2jvm s PRO 5 N 2.52 3.72 0.00 1.67 0.04 -1.26 -4.99 135.00 136.71 2jvm s PRO 5 Ca 0.10 0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.39 2jvm s PRO 5 Cb -0.13 -2.60 0.16 0.00 0.04 0.00 0.00 34.50 31.97 2jvm s PRO 5 CO -0.28 0.21 1.13 1.17 0.04 0.00 0.00 177.00 179.27 2jvm n LYS 6 N -0.71 2.92 -2.58 4.56 4.81 -1.26 -4.96 118.16 120.95 2jvm n LYS 6 Ca -0.00 -1.79 -0.42 0.00 -0.87 0.00 0.00 58.31 55.23 2jvm n LYS 6 Cb 0.53 -1.14 -0.02 0.00 0.02 0.00 0.00 35.03 34.43 2jvm n LYS 6 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2jvm s THR 7 N -1.00 4.03 -0.19 3.15 -4.23 -1.26 -4.88 115.64 111.25 2jvm s THR 7 Ca 0.12 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2jvm s THR 7 Cb 0.06 -5.11 0.05 0.00 1.34 0.00 0.00 72.50 68.85 2jvm s THR 7 CO 0.08 -1.97 -0.01 -0.60 -0.54 0.00 0.00 174.62 171.59 2jvm s ARG 8 N 4.59 1.07 -0.25 3.99 3.52 -1.26 -5.12 118.95 125.49 2jvm s ARG 8 Ca 0.49 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.50 2jvm s ARG 8 Cb 0.02 -2.15 0.01 0.00 -1.56 0.00 0.00 34.95 31.27 2jvm s ARG 8 CO -0.02 -0.56 -0.02 1.14 -0.81 0.00 0.00 175.30 175.02 2jvm s GLN 9 N 1.70 3.06 -0.18 5.12 -2.07 -1.26 -4.96 119.66 121.06 2jvm s GLN 9 Ca -0.01 -0.84 0.03 0.00 -1.82 0.00 0.00 55.36 52.72 2jvm s GLN 9 Cb -0.17 -3.08 0.35 0.00 -1.09 0.00 0.00 33.01 29.02 2jvm s GLN 9 CO -0.07 -0.35 1.33 0.39 -1.32 0.00 0.00 175.29 175.27 2jvm n GLU 10 N 4.75 2.01 -3.64 9.60 -0.58 -1.26 -4.70 120.64 126.82 2jvm n GLU 10 Ca -0.17 -1.47 -0.22 0.00 -0.42 0.00 0.00 57.16 54.89 2jvm n GLU 10 Cb 0.48 -1.66 -0.17 0.00 -0.57 0.00 0.00 31.44 29.52 2jvm n GLU 10 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2jvm s SER 11 N -0.19 1.58 0.02 1.62 0.15 -1.26 -5.03 113.70 110.59 2jvm s SER 11 Ca 0.27 -0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 2jvm s SER 11 Cb 0.22 -0.14 -0.35 0.00 -1.71 0.00 0.00 66.02 64.05 2jvm s SER 11 CO 0.06 -0.29 0.96 0.00 1.20 0.00 0.00 173.24 175.17 2jvm h ALA 12 N 8.42 -0.11 -2.78 5.45 0.00 -1.99 -3.41 119.26 124.84 2jvm h ALA 12 Ca -0.13 -0.90 -0.77 0.00 0.00 0.00 0.00 54.91 53.11 2jvm h ALA 12 Cb 1.13 0.21 -0.28 0.00 0.00 0.00 0.00 17.79 18.86 2jvm h ALA 12 CO 0.21 0.76 -0.05 1.03 0.00 0.00 0.00 179.25 181.20 2jvm s ARG 13 N -2.60 3.29 0.00 0.00 0.52 -1.26 -4.51 118.95 114.39 2jvm s ARG 13 Ca -0.10 -2.34 0.00 0.00 -0.52 0.00 0.00 55.73 52.77 2jvm s ARG 13 Cb 0.04 -4.27 0.00 0.00 0.52 0.00 0.00 34.95 31.25 2jvm s ARG 13 CO 0.93 -1.27 0.00 -0.12 0.02 0.00 0.00 175.30 174.86 2jvm n MET 14 N 4.10 0.00 -4.78 3.54 1.56 -1.26 -5.12 117.12 115.16 2jvm n MET 14 Ca 0.08 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.18 2jvm n MET 14 Cb 0.44 -0.02 -0.12 0.00 2.15 0.00 0.00 33.22 35.67 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 -1.15 4.26 0.50 6.12 0.15 -1.26 -5.13 113.70 117.18 2jvm s SER 15 Ca 0.00 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.57 2jvm s SER 15 Cb 0.00 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 2jvm s SER 15 CO 0.00 0.35 0.37 -0.63 1.20 0.00 0.00 173.24 174.53 2jvm s ILE 16 N -0.77 1.98 0.21 6.45 1.01 -1.26 -5.07 121.20 123.75 2jvm s ILE 16 Ca 0.12 -1.48 -0.32 0.00 0.00 0.00 0.00 60.65 58.96 2jvm s ILE 16 Cb -0.11 -2.47 -0.13 0.00 0.01 0.00 0.00 42.46 39.76 2jvm s ILE 16 CO 0.01 0.00 1.52 -0.62 0.00 0.00 0.00 174.94 175.85 2jvm n GLU 17 N -1.64 2.21 -1.69 2.79 -0.58 -1.26 -4.84 120.64 115.63 2jvm n GLU 17 Ca -0.00 0.79 -0.51 0.00 -0.42 0.00 0.00 57.16 57.02 2jvm n GLU 17 Cb 0.64 -2.52 -0.05 0.00 -0.57 0.00 0.00 31.44 28.93 2jvm n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jvm n ALA 18 N 2.69 0.56 -2.14 0.62 0.00 -1.26 -4.96 120.51 116.02 2jvm n ALA 18 Ca 0.14 0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 2jvm n ALA 18 Cb 0.31 -2.41 0.18 0.00 0.00 0.00 0.00 19.45 17.53 2jvm n ALA 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jvm n PRO 19 N 6.21 -0.96 -0.88 0.00 -0.04 -1.26 -4.98 135.00 133.09 2jvm n PRO 19 Ca 0.24 -2.28 0.07 0.00 -0.04 0.00 0.00 63.50 61.48 2jvm n PRO 19 Cb 0.24 -1.17 0.40 0.00 -0.04 0.00 0.00 33.50 32.93 2jvm n PRO 19 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jvm n GLU 20 N -3.56 4.81 -4.39 0.54 -0.00 -1.26 -4.91 120.64 111.88 2jvm n GLU 20 Ca 0.17 -3.07 -0.34 0.00 -0.00 0.00 0.00 57.16 53.92 2jvm n GLU 20 Cb 0.59 -2.25 -0.11 0.00 -0.00 0.00 0.00 31.44 29.66 2jvm n GLU 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2jvm s THR 21 N -2.72 4.04 0.01 3.84 2.01 -1.26 -3.89 115.64 117.66 2jvm s THR 21 Ca 0.53 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2jvm s THR 21 Cb 0.41 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2jvm s THR 21 CO 0.15 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.71 2jvm s VAL 22 N -0.03 1.65 -0.13 3.82 1.01 -1.14 -5.02 120.40 120.56 2jvm s VAL 22 Ca 0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 2jvm s VAL 22 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2jvm s VAL 22 CO 0.02 0.37 0.58 -0.69 0.00 0.00 0.00 175.10 175.39 2jvm s VAL 23 N -0.60 5.10 0.02 2.92 1.01 -1.26 -0.98 120.40 126.61 2jvm s VAL 23 Ca 0.08 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.24 2jvm s VAL 23 Cb -0.08 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2jvm s VAL 23 CO 0.00 0.23 -0.05 0.68 0.00 0.00 0.00 175.10 175.97 2jvm s VAL 24 N 1.10 3.77 -0.82 2.92 -7.23 0.33 -4.92 120.40 115.55 2jvm s VAL 24 Ca 0.30 -0.80 0.14 0.00 -1.81 0.00 0.00 61.98 59.81 2jvm s VAL 24 Cb -0.16 -2.68 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 2jvm s VAL 24 CO 0.12 0.34 0.64 -0.24 -0.31 0.00 0.00 175.10 175.66 2jvm n SER 25 N 1.36 0.87 -4.43 4.85 2.88 -1.26 -0.74 113.62 117.15 2jvm n SER 25 Ca -0.15 -0.93 -0.27 0.00 -1.33 0.00 0.00 58.87 56.19 2jvm n SER 25 Cb 0.52 0.87 -0.12 0.00 -0.75 0.00 0.00 64.21 64.74 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 -2.17 2.38 -0.98 2.46 -4.23 -1.26 -4.93 115.64 106.91 2jvm s THR 26 Ca 0.07 -1.97 0.28 0.00 -1.18 0.00 0.00 61.69 58.88 2jvm s THR 26 Cb 0.11 -2.13 0.24 0.00 1.34 0.00 0.00 72.50 72.06 2jvm s THR 26 CO 0.52 -0.08 1.89 0.79 -0.54 0.00 0.00 174.62 177.19 2jvm n TRP 27 N 0.36 0.07 -4.15 3.99 7.02 -1.26 -4.60 117.44 118.87 2jvm n TRP 27 Ca -0.13 0.02 -0.19 0.00 -1.02 0.00 0.00 57.50 56.17 2jvm n TRP 27 Cb 0.55 -0.54 -0.16 0.00 -2.42 0.00 0.00 31.31 28.75 2jvm n TRP 27 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 2jvm s LYS 28 N -3.01 0.76 0.38 -0.99 -2.85 -1.26 -1.03 119.74 111.74 2jvm s LYS 28 Ca 0.13 -0.09 0.05 0.00 -1.00 0.00 0.00 55.97 55.06 2jvm s LYS 28 Cb 0.18 -0.78 -0.03 0.00 -2.06 0.00 0.00 37.83 35.14 2jvm s LYS 28 CO 0.52 -0.08 0.19 0.14 0.10 0.00 0.00 175.35 176.22 2jvm s VAL 29 N 0.88 0.32 -0.16 1.79 -7.23 -0.75 -4.98 120.40 110.27 2jvm s VAL 29 Ca -0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2jvm s VAL 29 Cb -0.14 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2jvm s VAL 29 CO 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 175.10 174.67 2jvm s ALA 30 N -3.32 1.82 0.03 1.32 0.00 -1.26 0.19 121.76 120.54 2jvm s ALA 30 Ca 0.31 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 2jvm s ALA 30 Cb 0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2jvm s ALA 30 CO 0.20 -0.48 0.82 0.00 0.00 0.00 0.00 175.76 176.29 2jvm n ASP 32 N 3.08 1.67 0.00 0.00 2.03 -1.26 -0.47 116.55 121.60 2jvm n ASP 32 Ca -0.00 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.86 2jvm n ASP 32 Cb 0.50 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.11 4.26 3.79 0.27 0.00 -1.26 -4.39 105.19 107.97 2jvm n GLY 33 Ca 0.03 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 2.29 0.74 -0.02 0.00 -0.14 -4.91 107.32 105.29 2jvm s GLY 34 Ca 0.00 -1.98 -0.14 0.00 0.00 0.00 0.00 44.72 42.60 2jvm s GLY 34 CO 0.00 -1.86 1.17 -0.54 0.00 0.00 0.00 173.10 171.87 2jvm s GLU 35 N -3.99 2.14 6.72 2.90 0.41 -1.26 -3.67 118.70 121.95 2jvm s GLU 35 Ca 0.42 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.58 2jvm s GLU 35 Cb 0.01 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 2jvm s GLU 35 CO 0.24 -1.80 0.00 0.41 -0.49 0.00 0.00 175.26 173.62 2jvm n GLY 36 N 0.04 1.99 1.03 -1.39 0.00 -1.26 -2.59 105.19 103.01 2jvm n GLY 36 Ca 0.12 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 10.63 2.41 -0.23 4.61 0.00 -1.26 -4.29 120.51 132.37 2jvm n ALA 37 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.34 2jvm n ALA 37 Cb 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 1.13 5.13 -4.82 0.00 4.77 -1.07 -4.92 117.00 117.23 2jvm n LEU 38 Ca 0.19 -2.67 -0.33 0.00 -0.03 0.00 0.00 56.01 53.16 2jvm n LEU 38 Cb 0.47 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2jvm n LEU 38 CO 0.13 0.85 0.66 -0.83 -1.33 0.00 0.00 177.39 176.87 2jvm s GLY 39 N -0.07 2.42 0.19 -0.72 0.00 -1.24 -0.97 107.32 106.93 2jvm s GLY 39 Ca 0.28 0.44 -0.20 0.00 0.00 0.00 0.00 44.72 45.25 2jvm s GLY 39 CO 0.04 0.73 0.58 -2.38 0.00 0.00 0.00 173.10 172.07 2jvm s HIS 40 N -2.14 -0.29 0.65 1.90 -3.43 -1.26 -4.84 115.29 105.89 2jvm s HIS 40 Ca 0.63 -0.03 -0.17 0.00 -0.80 0.00 0.00 55.06 54.69 2jvm s HIS 40 Cb -0.10 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.54 2jvm s HIS 40 CO 0.14 -0.93 1.22 -2.14 -2.00 0.00 0.00 174.74 171.03 2jvm s PRO 41 N -3.83 2.62 0.12 -0.38 0.02 -1.26 -3.98 135.00 128.30 2jvm s PRO 41 Ca 0.06 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 2jvm s PRO 41 Cb -0.02 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 2jvm s PRO 41 CO -0.05 -1.48 1.84 -2.13 -0.33 0.00 0.00 177.00 174.84 2jvm n ARG 42 N -2.06 2.78 -4.44 5.54 0.63 -1.26 -4.79 116.66 113.07 2jvm n ARG 42 Ca 0.14 1.01 -0.25 0.00 -0.92 0.00 0.00 57.85 57.83 2jvm n ARG 42 Cb 0.50 -2.91 -0.11 0.00 0.45 0.00 0.00 32.46 30.39 2jvm n ARG 42 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jvm s VAL 43 N 2.80 2.38 -0.21 5.15 1.01 0.38 -4.94 120.40 126.97 2jvm s VAL 43 Ca 0.82 -2.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 2jvm s VAL 43 Cb -0.49 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2jvm s VAL 43 CO 0.38 -0.31 0.13 0.26 0.00 0.00 0.00 175.10 175.56 2jvm s TRP 44 N -2.24 3.37 0.31 5.22 0.52 -1.26 -0.20 118.94 124.65 2jvm s TRP 44 Ca 0.26 0.28 0.09 0.00 0.02 0.00 0.00 56.10 56.75 2jvm s TRP 44 Cb -0.06 -2.19 -0.06 0.00 -1.15 0.00 0.00 33.47 30.02 2jvm s TRP 44 CO 0.13 0.22 -0.10 -0.51 0.02 0.00 0.00 176.95 176.71 2jvm s LEU 45 N 0.56 2.61 -0.10 2.99 1.43 0.13 -4.95 118.68 121.35 2jvm s LEU 45 Ca 0.08 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2jvm s LEU 45 Cb -0.12 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.27 2jvm s LEU 45 CO -0.00 -0.23 -0.08 -0.55 0.23 0.00 0.00 176.35 175.72 2jvm s SER 46 N -3.52 2.02 -0.10 2.29 0.15 -1.26 -1.82 113.70 111.46 2jvm s SER 46 Ca 0.31 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 2jvm s SER 46 Cb 0.02 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.49 2jvm s SER 46 CO 0.14 -0.08 1.23 -0.63 1.20 0.00 0.00 173.24 175.10 2jvm s ILE 47 N 1.43 4.26 -0.03 6.45 1.01 -0.19 -4.96 121.20 129.17 2jvm s ILE 47 Ca -0.00 1.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 2jvm s ILE 47 Cb -0.13 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2jvm s ILE 47 CO -0.05 -0.06 2.03 -2.84 0.00 0.00 0.00 174.94 174.02 2jvm s PRO 48 N 2.76 3.88 0.00 2.79 0.02 -1.26 -4.85 135.00 138.34 2jvm s PRO 48 Ca 0.55 2.46 0.24 0.00 0.02 0.00 0.00 61.00 64.27 2jvm s PRO 48 Cb -0.23 -4.22 1.41 0.00 0.02 0.00 0.00 34.50 31.48 2jvm s PRO 48 CO 0.19 -1.26 1.80 0.72 -0.33 0.00 0.00 177.00 178.12 2jvm n HIS 49 N 8.63 0.00 -0.06 6.54 8.25 -1.26 -1.36 115.22 135.96 2jvm n HIS 49 Ca 0.22 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 2jvm n HIS 49 Cb 0.42 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.57 2jvm n HIS 49 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jvm h GLU 50 N 0.00 0.73 0.00 -0.41 4.11 -1.95 -3.39 114.58 113.67 2jvm h GLU 50 Ca 0.00 -0.35 -0.02 0.00 0.07 0.00 0.00 59.36 59.06 2jvm h GLU 50 Cb 0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jvm h GLU 50 CO 0.00 0.97 -1.07 0.25 0.07 0.00 0.00 179.01 179.23 2jvm n THR 51 N -4.06 0.07 0.00 -1.06 -2.24 -1.11 -5.03 114.28 100.85 2jvm n THR 51 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2jvm n THR 51 Cb 0.50 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 3.33 0.92 3.27 3.38 0.00 -0.46 -5.08 105.19 110.55 2jvm n GLY 52 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2jvm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jvm s PHE 53 N -2.00 1.83 -0.24 1.61 0.08 -1.25 -3.70 117.98 114.30 2jvm s PHE 53 Ca 0.00 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 2jvm s PHE 53 Cb 0.00 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 2jvm s PHE 53 CO 0.00 0.16 -0.04 0.54 -0.10 0.00 0.00 175.22 175.78 2jvm s VAL 54 N -0.99 3.18 -0.33 -0.44 0.11 -1.11 -4.01 120.40 116.81 2jvm s VAL 54 Ca 0.07 -0.80 -0.16 0.00 -2.93 0.00 0.00 61.98 58.17 2jvm s VAL 54 Cb -0.09 -2.56 -0.02 0.00 -1.53 0.00 0.00 36.38 32.18 2jvm s VAL 54 CO 0.03 0.26 0.39 -1.61 -3.33 0.00 0.00 175.10 170.85 2jvm s GLU 55 N 1.40 3.67 0.20 1.54 0.41 -1.26 -2.80 118.70 121.86 2jvm s GLU 55 Ca 0.03 -0.28 -0.30 0.00 -0.41 0.00 0.00 54.97 54.01 2jvm s GLU 55 Cb -0.16 -3.77 -0.08 0.00 -1.78 0.00 0.00 34.13 28.34 2jvm s GLU 55 CO -0.03 -0.49 0.95 0.00 -0.49 0.00 0.00 175.26 175.19 2jvm n GLY 57 N 1.70 -0.22 0.14 0.00 0.00 -1.26 -4.36 105.19 101.19 2jvm n GLY 57 Ca -0.01 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 1.65 0.64 -3.88 1.61 0.05 -1.97 -3.49 116.97 111.57 2jvm h TYR 58 Ca 0.00 -0.46 -0.26 0.00 0.05 0.00 0.00 58.73 58.05 2jvm h TYR 58 Cb 0.64 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.29 2jvm h TYR 58 CO 0.00 1.63 -0.14 0.00 -1.05 0.00 0.00 178.16 178.60 2jvm n ASP 60 N -1.66 5.80 -4.71 0.00 2.03 -1.26 -4.52 116.55 112.22 2jvm n ASP 60 Ca 0.01 -2.70 -0.35 0.00 0.52 0.00 0.00 54.79 52.26 2jvm n ASP 60 Cb 0.55 -1.16 -0.08 0.00 -0.72 0.00 0.00 41.12 39.70 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 -0.60 4.10 -0.12 -0.67 1.81 -1.26 -4.71 118.95 117.51 2jvm s ARG 61 Ca 0.25 -0.25 -0.00 0.00 -1.72 0.00 0.00 55.73 54.01 2jvm s ARG 61 Cb 0.16 -3.36 0.02 0.00 -0.45 0.00 0.00 34.95 31.33 2jvm s ARG 61 CO -0.02 0.32 -0.10 0.50 -0.68 0.00 0.00 175.30 175.32 2jvm s ARG 62 N 0.29 1.73 -0.11 3.54 3.52 -1.25 -2.44 118.95 124.22 2jvm s ARG 62 Ca 0.07 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2jvm s ARG 62 Cb -0.11 -1.71 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2jvm s ARG 62 CO -0.01 -0.24 -0.07 0.71 -0.81 0.00 0.00 175.30 174.88 2jvm s TYR 63 N 1.60 2.95 -0.19 5.12 1.51 -1.12 -2.91 117.35 124.31 2jvm s TYR 63 Ca 0.04 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2jvm s TYR 63 Cb -0.13 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2jvm s TYR 63 CO -0.08 0.08 -0.03 0.42 -1.11 0.00 0.00 175.55 174.84 2jvm s ILE 64 N -0.13 3.75 0.25 2.71 -1.09 -0.15 -2.76 121.20 123.78 2jvm s ILE 64 Ca 0.01 -0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 57.75 2jvm s ILE 64 Cb -0.13 -2.68 -0.09 0.00 -1.58 0.00 0.00 42.46 37.98 2jvm s ILE 64 CO 0.03 0.44 1.17 -2.28 -1.23 0.00 0.00 174.94 173.07 2jvm s HIS 65 N 0.95 3.44 0.52 3.97 2.46 -1.24 -0.51 115.29 124.87 2jvm s HIS 65 Ca 0.00 1.55 0.25 0.00 0.47 0.00 0.00 55.06 57.34 2jvm s HIS 65 Cb -0.14 -3.40 1.38 0.00 -0.13 0.00 0.00 32.58 30.28 2jvm s HIS 65 CO 0.01 -1.01 1.97 1.05 -2.47 0.00 0.00 174.74 174.29 2jvm h GLU 66 N 4.25 0.05 0.00 2.88 4.11 -1.29 0.12 114.58 124.70 2jvm h GLU 66 Ca -0.46 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.91 2jvm h GLU 66 Cb 1.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2jvm h GLU 66 CO 0.69 0.03 -0.28 1.03 0.07 0.00 0.00 179.01 180.55 2jvm h SER 67 N 0.05 0.00 -0.02 3.06 0.87 -1.91 -2.35 113.55 113.26 2jvm h SER 67 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2jvm h SER 67 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jvm h SER 67 CO -0.02 0.28 -0.27 0.33 -0.53 0.00 0.00 176.83 176.63 2jvm n PHE 68 N -3.59 0.00 0.24 2.24 -0.00 0.24 -4.24 117.46 112.35 2jvm n PHE 68 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.56 2jvm n PHE 68 Cb 0.42 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 40.00 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2jvm h ALA 69 N 3.23 0.71 -5.44 3.13 0.00 -0.53 -3.48 119.26 116.88 2jvm h ALA 69 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2jvm h ALA 69 Cb 0.65 0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.63 2jvm h ALA 69 CO 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 178.40 2jvm n ALA 70 N -2.08 -2.48 -2.33 0.00 0.00 -1.12 -4.86 120.51 107.63 2jvm n ALA 70 Ca 0.02 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2jvm n ALA 70 Cb 0.52 -5.75 -0.03 0.00 0.00 0.00 0.00 19.45 14.20 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 -3.20 2.87 -0.06 0.00 0.00 -1.26 -4.71 120.51 114.14 2jvm n ALA 71 Ca -0.07 -3.50 -0.15 0.00 0.00 0.00 0.00 53.44 49.72 2jvm n ALA 71 Cb 0.62 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.46 2jvm n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jvm h LYS 72 N 8.42 0.73 -6.78 0.00 3.64 -1.97 -3.46 116.57 117.15 2jvm h LYS 72 Ca 0.36 -0.48 -0.48 0.00 -1.27 0.00 0.00 60.65 58.77 2jvm h LYS 72 Cb 0.89 0.06 0.05 0.00 -0.41 0.00 0.00 32.23 32.82 2jvm h LYS 72 CO 1.38 1.11 -0.04 -0.51 -2.27 0.00 0.00 179.45 179.12 2jvm s LEU 73 N -8.72 3.07 -0.12 5.20 1.43 -1.26 -4.93 118.68 113.35 2jvm s LEU 73 Ca -0.12 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.21 2jvm s LEU 73 Cb 0.08 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jvm s LEU 73 CO 0.86 -1.50 0.13 1.21 0.23 0.00 0.00 176.35 177.28 2jvm n GLU 74 N -2.42 -2.65 -3.72 1.70 0.00 -1.26 -5.05 120.64 107.24 2jvm n GLU 74 Ca 0.16 2.21 -0.28 0.00 0.00 0.00 0.00 57.16 59.25 2jvm n GLU 74 Cb 0.61 -3.44 -0.16 0.00 0.00 0.00 0.00 31.44 28.45 2jvm n GLU 74 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jvm s HIS 75 N -0.47 0.99 0.09 4.31 3.76 -1.26 -5.11 115.29 117.61 2jvm s HIS 75 Ca -0.15 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 2jvm s HIS 75 Cb 0.01 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.65 2jvm s HIS 75 CO 0.47 -0.64 0.00 0.72 -0.85 0.00 0.00 174.74 174.45 2jvm n HIS 76 N 5.06 -2.25 -1.89 1.40 8.25 -1.26 -5.05 115.22 119.48 2jvm n HIS 76 Ca -0.08 0.51 0.10 0.00 -0.26 0.00 0.00 57.72 57.99 2jvm n HIS 76 Cb 0.47 -0.88 -0.03 0.00 1.12 0.00 0.00 29.99 30.67 2jvm n HIS 76 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jvm n HIS 77 N -1.93 -2.80 -3.28 4.41 8.25 -1.26 -4.51 115.22 114.11 2jvm n HIS 77 Ca 0.00 0.95 -0.43 0.00 -0.26 0.00 0.00 57.72 57.98 2jvm n HIS 77 Cb 0.19 -1.71 -0.08 0.00 1.12 0.00 0.00 29.99 29.51 2jvm n HIS 77 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jvm s HIS 78 N -1.40 3.14 -0.11 4.41 0.00 -1.26 -4.94 115.29 115.14 2jvm s HIS 78 Ca 0.00 -0.51 0.27 0.00 -3.00 0.00 0.00 55.06 51.83 2jvm s HIS 78 Cb 0.00 -3.14 1.35 0.00 -4.00 0.00 0.00 32.58 26.79 2jvm s HIS 78 CO 0.00 -0.82 1.83 1.12 -1.00 0.00 0.00 174.74 175.87 2jvm h HIS 79 N 8.81 0.00 0.00 0.38 -0.00 -2.00 -3.54 115.15 118.81 2jvm h HIS 79 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 2jvm h HIS 79 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 2jvm h HIS 79 CO 0.66 0.00 0.00 0.72 -0.00 0.00 0.00 177.93 179.31