#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 3.08 -0.40 2.12 0.52 -1.26 -5.05 118.95 117.97 2jvm s ARG 2 Ca 0.00 -0.91 -0.27 0.00 -0.52 0.00 0.00 55.73 54.03 2jvm s ARG 2 Cb 0.00 -3.95 0.02 0.00 0.52 0.00 0.00 34.95 31.54 2jvm s ARG 2 CO 0.00 -0.71 0.99 0.50 0.02 0.00 0.00 175.30 176.09 2jvm s ARG 3 N 1.76 3.80 -0.43 3.54 3.52 -1.26 -4.99 118.95 124.90 2jvm s ARG 3 Ca 0.06 0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 56.24 2jvm s ARG 3 Cb -0.18 -3.83 0.12 0.00 -1.56 0.00 0.00 34.95 29.49 2jvm s ARG 3 CO 0.11 -1.07 0.20 -1.14 -0.81 0.00 0.00 175.30 172.59 2jvm s GLN 4 N 3.73 1.93 -0.04 5.12 -0.44 -1.26 -5.08 119.66 123.62 2jvm s GLN 4 Ca 0.41 -1.99 -0.30 0.00 -2.50 0.00 0.00 55.36 50.99 2jvm s GLN 4 Cb -0.11 -3.48 -0.07 0.00 -1.64 0.00 0.00 33.01 27.71 2jvm s GLN 4 CO 0.22 -1.05 1.86 -2.14 0.50 0.00 0.00 175.29 174.67 2jvm s PRO 5 N 0.82 4.01 -0.10 1.67 0.02 -1.26 -4.99 135.00 135.18 2jvm s PRO 5 Ca 0.11 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.48 2jvm s PRO 5 Cb -0.22 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.19 2jvm s PRO 5 CO -0.05 -1.07 -0.20 0.15 -0.33 0.00 0.00 177.00 175.49 2jvm s LYS 6 N 4.55 2.67 0.23 5.54 -0.14 -1.26 -5.13 119.74 126.19 2jvm s LYS 6 Ca 0.83 -0.74 0.08 0.00 -1.36 0.00 0.00 55.97 54.78 2jvm s LYS 6 Cb -0.37 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 2jvm s LYS 6 CO 0.36 0.11 0.08 0.95 -0.76 0.00 0.00 175.35 176.08 2jvm s THR 7 N 0.50 3.94 -0.34 2.17 -4.23 -1.26 -5.11 115.64 111.31 2jvm s THR 7 Ca -0.16 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2jvm s THR 7 Cb -0.17 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.73 2jvm s THR 7 CO 0.06 -0.29 0.25 0.00 -0.54 0.00 0.00 174.62 174.11 2jvm s ARG 8 N -3.53 0.51 -0.14 3.99 1.70 -1.26 -5.13 118.95 115.09 2jvm s ARG 8 Ca 0.31 -1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 54.53 2jvm s ARG 8 Cb -0.08 -1.06 -0.03 0.00 -0.57 0.00 0.00 34.95 33.21 2jvm s ARG 8 CO 0.22 -1.17 0.01 -1.14 -1.08 0.00 0.00 175.30 172.14 2jvm s GLN 9 N 1.41 3.56 -0.33 3.89 2.00 -1.26 -5.07 119.66 123.85 2jvm s GLN 9 Ca 0.16 -0.41 0.03 0.00 -2.00 0.00 0.00 55.36 53.13 2jvm s GLN 9 Cb -0.19 -2.99 0.09 0.00 0.80 0.00 0.00 33.01 30.72 2jvm s GLN 9 CO -0.08 0.41 0.03 -1.83 -0.50 0.00 0.00 175.29 173.33 2jvm s GLU 10 N -0.06 1.76 -0.05 1.67 -1.05 -1.26 -4.94 118.70 114.78 2jvm s GLU 10 Ca 0.04 -1.73 0.24 0.00 -0.15 0.00 0.00 54.97 53.38 2jvm s GLU 10 Cb -0.13 -3.19 0.44 0.00 -0.44 0.00 0.00 34.13 30.81 2jvm s GLU 10 CO 0.02 -0.86 1.17 0.43 0.95 0.00 0.00 175.26 176.96 2jvm n SER 11 N 4.35 1.16 -4.58 0.83 7.64 -1.26 -5.05 113.62 116.72 2jvm n SER 11 Ca -0.01 -2.16 -0.41 0.00 1.01 0.00 0.00 58.87 57.29 2jvm n SER 11 Cb 0.42 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2jvm n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jvm s ALA 12 N -0.73 2.76 -0.10 -0.43 0.00 -1.26 -4.77 121.76 117.23 2jvm s ALA 12 Ca 0.34 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2jvm s ALA 12 Cb 0.38 -4.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 2jvm s ALA 12 CO -0.14 -2.96 0.14 0.54 0.00 0.00 0.00 175.76 173.34 2jvm n ARG 13 N 8.63 2.87 -4.31 0.00 5.12 -1.26 -5.03 116.66 122.68 2jvm n ARG 13 Ca 0.15 -0.02 -0.27 0.00 -1.93 0.00 0.00 57.85 55.77 2jvm n ARG 13 Cb 0.49 -0.90 -0.10 0.00 -1.16 0.00 0.00 32.46 30.79 2jvm n ARG 13 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2jvm s MET 14 N -1.85 1.91 -0.29 5.56 -1.94 -1.26 -4.89 119.30 116.53 2jvm s MET 14 Ca 0.00 -1.28 -0.10 0.00 -1.71 0.00 0.00 55.69 52.59 2jvm s MET 14 Cb 0.03 -2.10 0.01 0.00 2.01 0.00 0.00 34.83 34.78 2jvm s MET 14 CO 0.18 0.44 0.39 0.45 -0.01 0.00 0.00 175.02 176.47 2jvm n SER 15 N 0.27 -6.15 -4.95 3.03 2.88 -1.26 -5.05 113.62 102.39 2jvm n SER 15 Ca -0.12 0.41 -0.21 0.00 -1.33 0.00 0.00 58.87 57.62 2jvm n SER 15 Cb 0.55 -4.06 -0.02 0.00 -0.75 0.00 0.00 64.21 59.92 2jvm n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jvm s ILE 16 N -2.06 5.14 0.24 2.46 1.09 -1.26 -5.12 121.20 121.69 2jvm s ILE 16 Ca 0.16 -1.04 -0.19 0.00 -1.10 0.00 0.00 60.65 58.48 2jvm s ILE 16 Cb -0.05 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.59 2jvm s ILE 16 CO 0.54 -0.33 0.62 -0.70 -0.10 0.00 0.00 174.94 174.97 2jvm s GLU 17 N -3.94 1.60 -0.09 2.79 2.56 -1.26 -5.11 118.70 115.25 2jvm s GLU 17 Ca 0.34 -0.96 -0.30 0.00 0.00 0.00 0.00 54.97 54.05 2jvm s GLU 17 Cb -0.09 0.56 -0.08 0.00 2.00 0.00 0.00 34.13 36.53 2jvm s GLU 17 CO 0.28 -0.71 2.08 0.00 -0.56 0.00 0.00 175.26 176.36 2jvm n ALA 18 N -0.41 1.62 -1.77 6.30 0.00 -1.26 -4.93 120.51 120.06 2jvm n ALA 18 Ca -0.06 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 2jvm n ALA 18 Cb 0.61 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2jvm n ALA 18 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jvm s PRO 19 N 5.29 3.68 -0.43 0.00 0.02 -1.26 -5.01 135.00 137.30 2jvm s PRO 19 Ca 0.95 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 63.84 2jvm s PRO 19 Cb -0.42 -2.45 0.10 0.00 0.02 0.00 0.00 34.50 31.75 2jvm s PRO 19 CO 0.40 -0.66 0.26 -2.00 -0.33 0.00 0.00 177.00 174.66 2jvm s GLU 20 N -2.64 2.39 -0.04 5.54 2.56 -1.26 -5.06 118.70 120.19 2jvm s GLU 20 Ca 0.64 -1.64 0.03 0.00 0.00 0.00 0.00 54.97 53.99 2jvm s GLU 20 Cb -0.33 -3.73 0.01 0.00 2.00 0.00 0.00 34.13 32.07 2jvm s GLU 20 CO 0.40 -1.04 -0.11 0.99 -0.56 0.00 0.00 175.26 174.94 2jvm s THR 21 N 1.32 0.96 -0.06 -1.70 2.01 -1.26 -2.11 115.64 114.79 2jvm s THR 21 Ca 0.05 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2jvm s THR 21 Cb -0.24 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 2jvm s THR 21 CO -0.01 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.35 2jvm s VAL 22 N 0.33 2.74 -0.25 3.82 1.01 0.49 -4.98 120.40 123.56 2jvm s VAL 22 Ca -0.06 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2jvm s VAL 22 Cb -0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2jvm s VAL 22 CO 0.01 0.58 0.38 -0.69 0.00 0.00 0.00 175.10 175.38 2jvm s VAL 23 N -0.46 5.18 0.09 2.92 1.01 -1.26 -0.32 120.40 127.56 2jvm s VAL 23 Ca 0.05 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.74 2jvm s VAL 23 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2jvm s VAL 23 CO 0.02 0.18 -0.24 0.68 0.00 0.00 0.00 175.10 175.74 2jvm s VAL 24 N 1.85 1.99 -0.22 2.92 -7.23 0.18 -4.90 120.40 114.99 2jvm s VAL 24 Ca 0.16 -1.51 0.18 0.00 -1.81 0.00 0.00 61.98 59.01 2jvm s VAL 24 Cb -0.15 -1.75 -0.27 0.00 0.56 0.00 0.00 36.38 34.77 2jvm s VAL 24 CO 0.09 0.15 0.49 -1.20 -0.31 0.00 0.00 175.10 174.32 2jvm n SER 25 N 1.35 0.78 -4.91 4.85 7.64 -1.26 -1.07 113.62 121.00 2jvm n SER 25 Ca -0.18 -0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.20 2jvm n SER 25 Cb 0.53 1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 65.34 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 -3.15 5.08 -0.12 0.44 -4.23 -1.26 -4.96 115.64 107.45 2jvm s THR 26 Ca -0.04 -0.05 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 2jvm s THR 26 Cb 0.12 -3.73 -0.12 0.00 1.34 0.00 0.00 72.50 70.11 2jvm s THR 26 CO 0.76 -0.27 0.38 -0.50 -0.54 0.00 0.00 174.62 174.45 2jvm h TRP 27 N 1.81 -0.01 -3.63 3.99 4.06 -1.94 -3.44 115.95 116.79 2jvm h TRP 27 Ca -0.48 -0.00 -0.62 0.00 2.06 0.00 0.00 58.89 59.85 2jvm h TRP 27 Cb 1.19 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.22 2jvm h TRP 27 CO 0.57 0.45 -0.20 0.15 -3.56 0.00 0.00 178.44 175.85 2jvm s LYS 28 N -1.93 4.07 0.15 0.49 1.02 -1.26 0.04 119.74 122.32 2jvm s LYS 28 Ca -0.09 0.13 0.10 0.00 0.02 0.00 0.00 55.97 56.12 2jvm s LYS 28 Cb -0.01 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 2jvm s LYS 28 CO 0.32 -0.21 -0.17 0.08 -0.92 0.00 0.00 175.35 174.45 2jvm s VAL 29 N 1.86 2.82 -0.46 3.17 1.01 0.56 -4.94 120.40 124.43 2jvm s VAL 29 Ca 0.17 -1.67 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 2jvm s VAL 29 Cb -0.15 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2jvm s VAL 29 CO 0.09 -0.01 0.41 0.00 0.00 0.00 0.00 175.10 175.60 2jvm s ALA 30 N -1.41 3.52 0.10 5.51 0.00 -1.26 -0.37 121.76 127.84 2jvm s ALA 30 Ca 0.20 -1.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.03 2jvm s ALA 30 Cb -0.09 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2jvm s ALA 30 CO 0.11 -1.71 0.55 0.00 0.00 0.00 0.00 175.76 174.72 2jvm n ASP 32 N 1.37 0.92 0.00 0.00 2.03 -1.26 -0.18 116.55 119.44 2jvm n ASP 32 Ca -0.09 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 52.88 2jvm n ASP 32 Cb 0.51 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 0.00 -0.07 0.00 0.27 0.00 -1.20 -4.39 105.19 99.80 2jvm n GLY 33 Ca 0.07 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 1.26 3.77 -0.02 0.00 -0.99 -4.90 105.19 104.31 2jvm n GLY 34 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 3.74 0.87 -1.18 1.61 0.41 -1.26 -4.71 118.70 118.18 2jvm s GLU 35 Ca 0.00 0.25 -0.22 0.00 -0.41 0.00 0.00 54.97 54.59 2jvm s GLU 35 Cb 0.00 -1.81 -0.06 0.00 -1.78 0.00 0.00 34.13 30.47 2jvm s GLU 35 CO 0.00 -2.37 1.90 0.41 -0.49 0.00 0.00 175.26 174.71 2jvm n GLY 36 N -2.09 1.44 0.00 -1.39 0.00 -1.26 -1.24 105.19 100.65 2jvm n GLY 36 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 12.78 0.00 -1.69 4.61 0.00 -1.26 -4.96 120.51 129.99 2jvm n ALA 37 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.81 2jvm n ALA 37 Cb 0.46 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 4.13 -4.85 0.00 4.77 -0.37 -5.01 117.00 115.68 2jvm n LEU 38 Ca 0.00 -4.19 -0.36 0.00 -0.03 0.00 0.00 56.01 51.43 2jvm n LEU 38 Cb 0.00 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2jvm n LEU 38 CO 0.00 1.62 0.13 -0.83 -1.33 0.00 0.00 177.39 176.98 2jvm s GLY 39 N -3.10 2.45 0.06 -0.72 0.00 -1.19 -2.35 107.32 102.47 2jvm s GLY 39 Ca 0.46 -0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.67 2jvm s GLY 39 CO -0.01 0.07 0.88 -2.38 0.00 0.00 0.00 173.10 171.66 2jvm s HIS 40 N -1.25 -0.30 1.11 1.90 -3.43 -1.26 -4.93 115.29 107.13 2jvm s HIS 40 Ca 0.30 0.10 -0.18 0.00 -0.80 0.00 0.00 55.06 54.48 2jvm s HIS 40 Cb -0.16 0.57 0.25 0.00 -1.43 0.00 0.00 32.58 31.82 2jvm s HIS 40 CO 0.16 -0.67 1.17 -1.25 -2.00 0.00 0.00 174.74 172.16 2jvm s PRO 41 N -3.24 -0.52 -0.10 -0.38 0.04 -1.26 -3.24 135.00 126.29 2jvm s PRO 41 Ca 0.07 -0.13 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 2jvm s PRO 41 Cb -0.01 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 2jvm s PRO 41 CO -0.06 -3.24 2.04 0.50 0.04 0.00 0.00 177.00 176.29 2jvm s ARG 42 N -5.53 3.67 0.38 4.56 3.52 -1.25 -4.42 118.95 119.89 2jvm s ARG 42 Ca 0.71 2.27 0.06 0.00 -0.13 0.00 0.00 55.73 58.64 2jvm s ARG 42 Cb -0.08 -4.24 -0.07 0.00 -1.56 0.00 0.00 34.95 28.99 2jvm s ARG 42 CO 0.55 -1.49 0.02 0.54 -0.81 0.00 0.00 175.30 174.12 2jvm s VAL 43 N 6.19 1.75 -0.35 7.11 0.11 0.75 -4.93 120.40 131.04 2jvm s VAL 43 Ca 0.92 -2.01 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 2jvm s VAL 43 Cb -0.37 -2.92 0.03 0.00 -1.53 0.00 0.00 36.38 31.59 2jvm s VAL 43 CO 0.38 -0.01 0.14 0.26 -3.33 0.00 0.00 175.10 172.53 2jvm s TRP 44 N -2.89 3.24 0.35 1.54 0.52 -1.26 -0.73 118.94 119.70 2jvm s TRP 44 Ca 0.35 -1.21 0.07 0.00 0.02 0.00 0.00 56.10 55.34 2jvm s TRP 44 Cb 0.09 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2jvm s TRP 44 CO 0.17 -0.68 0.34 -0.51 0.02 0.00 0.00 176.95 176.29 2jvm s LEU 45 N 1.47 3.64 -0.12 2.99 1.43 0.50 -4.94 118.68 123.63 2jvm s LEU 45 Ca 0.00 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 2jvm s LEU 45 Cb -0.19 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.79 2jvm s LEU 45 CO 0.04 -0.41 0.29 -0.55 0.23 0.00 0.00 176.35 175.95 2jvm s SER 46 N -4.05 -0.30 -0.22 2.29 0.15 -1.26 -0.32 113.70 109.99 2jvm s SER 46 Ca 0.43 0.62 -0.29 0.00 0.70 0.00 0.00 55.95 57.41 2jvm s SER 46 Cb -0.06 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 2jvm s SER 46 CO 0.28 -0.18 1.65 -0.63 1.20 0.00 0.00 173.24 175.56 2jvm s ILE 47 N 1.36 3.64 0.13 6.45 -1.09 0.11 -4.86 121.20 126.94 2jvm s ILE 47 Ca -0.09 0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 58.74 2jvm s ILE 47 Cb -0.10 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.00 2jvm s ILE 47 CO -0.10 -0.29 1.80 -2.84 -1.23 0.00 0.00 174.94 172.28 2jvm s PRO 48 N 4.80 4.14 0.00 2.79 0.02 -1.26 -4.86 135.00 140.63 2jvm s PRO 48 Ca 0.73 2.57 0.24 0.00 0.02 0.00 0.00 61.00 64.56 2jvm s PRO 48 Cb -0.25 -3.51 1.20 0.00 0.02 0.00 0.00 34.50 31.95 2jvm s PRO 48 CO 0.30 -0.82 1.79 0.72 -0.33 0.00 0.00 177.00 178.66 2jvm n HIS 49 N 5.40 0.00 0.16 6.54 8.25 -1.26 -0.52 115.22 133.79 2jvm n HIS 49 Ca 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.71 2jvm n HIS 49 Cb 0.38 -0.29 0.14 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.29 2.05 0.04 -0.41 0.28 -1.26 -4.75 120.64 115.30 2jvm n GLU 50 Ca 0.11 -1.87 0.00 0.00 -0.16 0.00 0.00 57.16 55.24 2jvm n GLU 50 Cb 0.19 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.73 2jvm n GLU 50 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2jvm n THR 51 N 0.89 0.09 0.00 3.84 -1.04 -0.74 -5.06 114.28 112.26 2jvm n THR 51 Ca 0.13 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2jvm n THR 51 Cb 0.44 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 2jvm n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jvm n GLY 52 N 1.88 2.90 3.34 3.41 0.00 0.32 -5.03 105.19 112.00 2jvm n GLY 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.61 0.16 -0.06 1.61 -0.71 -1.26 -3.53 117.98 111.58 2jvm s PHE 53 Ca 0.00 -0.53 -0.23 0.00 -1.04 0.00 0.00 56.93 55.13 2jvm s PHE 53 Cb 0.00 0.07 0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2jvm s PHE 53 CO 0.00 -0.71 0.52 0.54 -1.34 0.00 0.00 175.22 174.22 2jvm s VAL 54 N -3.90 0.02 0.20 -2.49 0.11 -0.89 -4.47 120.40 108.98 2jvm s VAL 54 Ca 0.11 -0.19 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 2jvm s VAL 54 Cb 0.03 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 2jvm s VAL 54 CO -0.05 -0.10 -0.24 -1.61 -3.33 0.00 0.00 175.10 169.77 2jvm s GLU 55 N -1.04 1.52 0.39 1.54 2.02 -1.26 -0.52 118.70 121.34 2jvm s GLU 55 Ca -0.11 -1.53 -0.06 0.00 0.02 0.00 0.00 54.97 53.29 2jvm s GLU 55 Cb -0.03 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 2jvm s GLU 55 CO 0.06 0.39 0.68 0.00 0.02 0.00 0.00 175.26 176.42 2jvm h GLY 57 N 1.00 0.00 1.50 0.00 0.00 -2.01 -3.33 103.07 100.24 2jvm h GLY 57 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2jvm h GLY 57 CO 0.63 0.00 -0.68 -0.97 0.00 0.00 0.00 176.54 175.53 2jvm h TYR 58 N 0.00 0.00 -2.51 5.60 -1.99 -1.98 -3.47 116.97 112.62 2jvm h TYR 58 Ca 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 2jvm h TYR 58 Cb 0.98 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.50 2jvm h TYR 58 CO 0.00 0.21 -0.08 0.00 -0.00 0.00 0.00 178.16 178.29 2jvm n ASP 60 N 1.88 3.64 -4.78 0.00 9.92 -1.26 -3.07 116.55 122.88 2jvm n ASP 60 Ca -0.17 -2.02 -0.39 0.00 -0.53 0.00 0.00 54.79 51.68 2jvm n ASP 60 Cb 0.56 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 40.29 2jvm n ASP 60 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2jvm s ARG 61 N 0.13 4.40 -0.13 -1.24 3.52 -1.26 -4.78 118.95 119.58 2jvm s ARG 61 Ca 0.00 0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 56.51 2jvm s ARG 61 Cb 0.00 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2jvm s ARG 61 CO 0.00 0.49 -0.06 0.50 -0.81 0.00 0.00 175.30 175.42 2jvm s ARG 62 N -0.71 3.43 -0.21 5.12 3.52 -0.90 -2.63 118.95 126.58 2jvm s ARG 62 Ca 0.33 -0.56 -0.02 0.00 -0.13 0.00 0.00 55.73 55.35 2jvm s ARG 62 Cb -0.21 -2.79 -0.00 0.00 -1.56 0.00 0.00 34.95 30.39 2jvm s ARG 62 CO 0.22 0.33 -0.09 0.71 -0.81 0.00 0.00 175.30 175.65 2jvm s TYR 63 N 0.11 2.90 -0.12 5.12 1.51 0.32 -0.38 117.35 126.82 2jvm s TYR 63 Ca -0.02 -1.13 -0.00 0.00 -1.01 0.00 0.00 57.07 54.91 2jvm s TYR 63 Cb -0.14 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2jvm s TYR 63 CO 0.03 -0.61 -0.11 0.42 -1.11 0.00 0.00 175.55 174.16 2jvm s ILE 64 N 1.40 3.22 0.39 2.71 -1.09 0.57 -2.09 121.20 126.30 2jvm s ILE 64 Ca 0.05 -0.61 -0.26 0.00 -2.23 0.00 0.00 60.65 57.60 2jvm s ILE 64 Cb -0.14 -2.35 -0.09 0.00 -1.58 0.00 0.00 42.46 38.31 2jvm s ILE 64 CO -0.06 0.53 1.20 -2.28 -1.23 0.00 0.00 174.94 173.10 2jvm s HIS 65 N 0.12 3.05 0.51 3.97 5.65 -1.23 -0.65 115.29 126.72 2jvm s HIS 65 Ca -0.05 1.53 0.27 0.00 0.25 0.00 0.00 55.06 57.05 2jvm s HIS 65 Cb -0.15 -3.45 1.38 0.00 -1.18 0.00 0.00 32.58 29.18 2jvm s HIS 65 CO 0.04 -1.44 1.92 1.05 -0.65 0.00 0.00 174.74 175.66 2jvm h GLU 66 N 2.76 0.08 0.00 2.88 4.11 -1.45 0.11 114.58 123.07 2jvm h GLU 66 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2jvm h GLU 66 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jvm h GLU 66 CO 0.63 0.05 0.00 1.03 0.07 0.00 0.00 179.01 180.79 2jvm h SER 67 N 0.08 0.00 0.00 3.06 0.87 -1.90 -2.10 113.55 113.56 2jvm h SER 67 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2jvm h SER 67 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2jvm h SER 67 CO -0.03 0.00 -1.12 0.49 -0.53 0.00 0.00 176.83 175.63 2jvm n PHE 68 N -2.84 0.00 -2.47 2.24 3.72 0.32 -4.40 117.46 114.02 2jvm n PHE 68 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 2jvm n PHE 68 Cb 0.30 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 2jvm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jvm n ALA 69 N -1.62 6.19 -1.34 4.37 0.00 -0.78 -4.73 120.51 122.59 2jvm n ALA 69 Ca 0.01 -4.49 -0.12 0.00 0.00 0.00 0.00 53.44 48.84 2jvm n ALA 69 Cb 0.33 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.14 -0.18 -0.64 0.00 0.00 -1.26 -4.77 120.51 113.53 2jvm n ALA 70 Ca 0.49 0.19 0.02 0.00 0.00 0.00 0.00 53.44 54.13 2jvm n ALA 70 Cb 0.25 -1.54 -0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.22 -0.29 -2.26 0.00 0.00 -0.93 -4.98 120.51 113.26 2jvm n ALA 71 Ca -0.12 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2jvm n ALA 71 Cb 0.49 -0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 2jvm n ALA 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jvm s LYS 72 N -0.22 1.14 0.30 0.00 2.20 -1.26 -4.89 119.74 117.01 2jvm s LYS 72 Ca 0.00 -1.54 -0.30 0.00 -0.36 0.00 0.00 55.97 53.77 2jvm s LYS 72 Cb 0.00 -0.44 -0.11 0.00 -1.51 0.00 0.00 37.83 35.77 2jvm s LYS 72 CO 0.00 -0.07 1.53 -0.51 -0.36 0.00 0.00 175.35 175.94 2jvm s LEU 73 N -3.20 4.35 -0.50 5.43 1.43 -1.26 -4.94 118.68 119.99 2jvm s LEU 73 Ca 0.23 2.90 -0.25 0.00 -1.03 0.00 0.00 54.13 55.98 2jvm s LEU 73 Cb 0.05 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.66 2jvm s LEU 73 CO 0.04 -0.85 0.94 -1.61 0.23 0.00 0.00 176.35 175.10 2jvm s GLU 74 N -0.83 3.46 -0.16 1.70 2.02 -1.26 -4.99 118.70 118.64 2jvm s GLU 74 Ca 0.60 0.01 -0.04 0.00 0.02 0.00 0.00 54.97 55.56 2jvm s GLU 74 Cb -0.46 -3.97 0.08 0.00 0.10 0.00 0.00 34.13 29.87 2jvm s GLU 74 CO 0.50 -1.33 0.27 -1.58 0.02 0.00 0.00 175.26 173.14 2jvm s HIS 75 N 3.86 -0.45 0.33 1.61 2.46 -1.26 -5.14 115.29 116.70 2jvm s HIS 75 Ca 0.35 0.83 -0.03 0.00 0.47 0.00 0.00 55.06 56.68 2jvm s HIS 75 Cb -0.11 -0.08 -0.00 0.00 -0.13 0.00 0.00 32.58 32.26 2jvm s HIS 75 CO 0.24 -0.45 0.45 -1.01 -2.47 0.00 0.00 174.74 171.50 2jvm s HIS 76 N 2.42 1.06 -0.08 3.88 3.76 -1.26 -5.17 115.29 119.90 2jvm s HIS 76 Ca 0.03 -1.28 -0.04 0.00 -0.15 0.00 0.00 55.06 53.62 2jvm s HIS 76 Cb -0.13 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 2jvm s HIS 76 CO -0.10 -1.09 0.10 -1.01 -0.85 0.00 0.00 174.74 171.80 2jvm s HIS 77 N -3.20 3.44 -0.04 1.40 3.76 -1.26 -5.10 115.29 114.29 2jvm s HIS 77 Ca 0.31 0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 55.40 2jvm s HIS 77 Cb 0.00 -1.86 0.04 0.00 1.11 0.00 0.00 32.58 31.87 2jvm s HIS 77 CO 0.19 0.64 0.44 -3.38 -0.85 0.00 0.00 174.74 171.78 2jvm s HIS 78 N -1.05 -0.37 0.22 1.40 -0.00 -1.26 -5.17 115.29 109.07 2jvm s HIS 78 Ca 0.17 0.64 -0.14 0.00 -0.00 0.00 0.00 55.06 55.74 2jvm s HIS 78 Cb -0.12 0.20 0.00 0.00 -0.00 0.00 0.00 32.58 32.67 2jvm s HIS 78 CO 0.06 -0.44 0.47 -3.38 -0.00 0.00 0.00 174.74 171.45 2jvm s HIS 79 N -1.11 0.22 -2.83 0.38 -3.43 -1.26 -5.34 115.29 101.92 2jvm s HIS 79 Ca -0.11 -0.59 0.25 0.00 -0.80 0.00 0.00 55.06 53.81 2jvm s HIS 79 Cb -0.03 0.23 0.48 0.00 -1.43 0.00 0.00 32.58 31.82 2jvm s HIS 79 CO 0.06 -0.95 1.42 -2.39 -2.00 0.00 0.00 174.74 170.88