#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py4 s THR 3 N 0.00 4.79 0.25 6.66 2.01 -1.26 -5.01 115.64 123.08 2py4 s THR 3 Ca 0.00 1.27 -0.13 0.00 0.31 0.00 0.00 61.69 63.14 2py4 s THR 3 Cb 0.00 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 2py4 s THR 3 CO 0.00 -0.23 0.63 0.42 -0.69 0.00 0.00 174.62 174.75 2py4 s THR 4 N 2.97 4.80 -0.20 -0.82 -4.23 -1.26 -5.05 115.64 111.85 2py4 s THR 4 Ca 0.33 0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2py4 s THR 4 Cb -0.14 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.11 2py4 s THR 4 CO 0.12 -0.05 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.92 2py4 s LEU 5 N -2.70 1.79 0.26 4.79 2.96 -1.26 -4.82 118.68 119.71 2py4 s LEU 5 Ca 0.48 -0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 2py4 s LEU 5 Cb -0.12 -0.87 -0.10 0.00 0.50 0.00 0.00 46.19 45.60 2py4 s LEU 5 CO 0.19 -0.26 1.29 0.00 -1.32 0.00 0.00 176.35 176.25 2py4 s ALA 6 N 1.64 3.51 -0.01 5.97 0.00 -1.26 -4.91 121.76 126.70 2py4 s ALA 6 Ca -0.03 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 2py4 s ALA 6 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2py4 s ALA 6 CO -0.07 -0.54 0.02 -1.50 0.00 0.00 0.00 175.76 173.67 2py4 s ILE 7 N -0.56 -0.00 -0.20 0.00 2.07 -1.26 -1.38 121.20 119.87 2py4 s ILE 7 Ca 0.52 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.72 2py4 s ILE 7 Cb -0.37 -0.03 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 2py4 s ILE 7 CO 0.45 0.00 0.00 -0.69 -1.91 0.00 0.00 174.94 172.79 2py4 s VAL 8 N 0.06 3.97 -1.01 4.00 1.01 0.45 -4.99 120.40 123.89 2py4 s VAL 8 Ca -0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 2py4 s VAL 8 Cb -0.01 -2.79 0.10 0.00 0.00 0.00 0.00 36.38 33.68 2py4 s VAL 8 CO -0.00 0.43 1.32 -0.13 0.00 0.00 0.00 175.10 176.72 2py4 s ARG 9 N 0.97 3.66 0.40 2.72 0.52 -1.26 -1.24 118.95 124.72 2py4 s ARG 9 Ca 0.02 -1.57 0.13 0.00 -0.52 0.00 0.00 55.73 53.78 2py4 s ARG 9 Cb -0.14 -5.15 0.96 0.00 0.52 0.00 0.00 34.95 31.13 2py4 s ARG 9 CO 0.02 -1.99 1.90 -0.07 0.02 0.00 0.00 175.30 175.18 2py4 h LEU 10 N 11.49 0.49 -7.65 2.53 3.38 -1.24 -3.27 115.31 121.04 2py4 h LEU 10 Ca 0.21 0.03 -0.69 0.00 0.09 0.00 0.00 57.88 57.52 2py4 h LEU 10 Cb 1.00 -0.07 -0.36 0.00 0.09 0.00 0.00 40.66 41.32 2py4 h LEU 10 CO 1.27 0.25 -0.49 -0.62 0.09 0.00 0.00 178.44 178.95 2py4 s ASP 11 N -5.87 5.11 0.00 -0.43 -1.08 -0.73 -4.98 116.67 108.69 2py4 s ASP 11 Ca -0.09 -2.52 0.16 0.00 -0.52 0.00 0.00 52.55 49.58 2py4 s ASP 11 Cb 0.21 -1.81 0.82 0.00 -1.46 0.00 0.00 42.92 40.68 2py4 s ASP 11 CO 0.78 -0.42 1.45 -2.65 0.52 0.00 0.00 175.17 174.85 2py4 n PRO 12 N 3.90 0.24 0.01 4.34 -0.02 -1.24 -2.44 135.00 139.81 2py4 n PRO 12 Ca 0.04 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2py4 n PRO 12 Cb 0.39 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 32.89 2py4 n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2py4 n GLY 13 N 0.06 -1.39 3.90 -1.23 0.00 -1.26 -4.79 105.19 100.48 2py4 n GLY 13 Ca 0.08 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2py4 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2py4 s LEU 14 N -3.20 4.36 0.83 0.99 1.43 -1.02 -5.07 118.68 117.01 2py4 s LEU 14 Ca 0.12 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2py4 s LEU 14 Cb 0.16 -2.47 0.10 0.00 0.03 0.00 0.00 46.19 44.00 2py4 s LEU 14 CO 0.47 0.30 1.16 -2.84 0.23 0.00 0.00 176.35 175.66 2py4 s PRO 15 N -1.71 1.57 0.40 1.29 0.02 -1.26 -4.95 135.00 130.36 2py4 s PRO 15 Ca 0.24 1.55 -0.27 0.00 0.02 0.00 0.00 61.00 62.54 2py4 s PRO 15 Cb -0.12 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.51 2py4 s PRO 15 CO 0.15 -2.22 1.37 -0.51 -0.33 0.00 0.00 177.00 175.47 2py4 s LEU 16 N -6.04 4.25 0.42 -5.54 1.43 -1.26 -4.92 118.68 107.02 2py4 s LEU 16 Ca 0.68 2.81 -0.25 0.00 -1.03 0.00 0.00 54.13 56.35 2py4 s LEU 16 Cb -0.24 -3.81 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 2py4 s LEU 16 CO 0.54 -0.88 1.13 -2.65 0.23 0.00 0.00 176.35 174.72 2py4 n PRO 17 N 0.25 1.60 -3.98 1.29 -0.02 -1.26 -4.99 135.00 127.88 2py4 n PRO 17 Ca 0.03 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 2py4 n PRO 17 Cb 0.42 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 2py4 n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2py4 s SER 18 N -0.66 0.31 0.19 2.55 1.04 -1.25 -4.79 113.70 111.09 2py4 s SER 18 Ca 0.62 -0.82 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 2py4 s SER 18 Cb -0.54 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 65.77 2py4 s SER 18 CO 0.57 -0.65 1.06 -0.13 0.98 0.00 0.00 173.24 175.08 2py4 s ARG 19 N -3.79 4.64 0.23 4.02 0.52 -1.26 -0.77 118.95 122.54 2py4 s ARG 19 Ca 0.05 1.67 -0.03 0.00 -0.52 0.00 0.00 55.73 56.90 2py4 s ARG 19 Cb 0.06 -3.28 0.23 0.00 0.52 0.00 0.00 34.95 32.48 2py4 s ARG 19 CO -0.10 0.16 1.65 0.00 0.02 0.00 0.00 175.30 177.03 2py4 h ALA 20 N 4.90 0.93 -2.59 2.13 0.00 -1.95 -3.45 119.26 119.22 2py4 h ALA 20 Ca -0.44 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 53.96 2py4 h ALA 20 Cb 1.21 -0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 2py4 h ALA 20 CO 0.71 0.62 -0.69 -1.01 0.00 0.00 0.00 179.25 178.88 2py4 s HIS 21 N -4.62 0.39 0.32 0.00 3.76 -1.26 -5.09 115.29 108.79 2py4 s HIS 21 Ca -0.09 -0.81 -0.29 0.00 -0.15 0.00 0.00 55.06 53.72 2py4 s HIS 21 Cb 0.13 -0.29 -0.13 0.00 1.11 0.00 0.00 32.58 33.40 2py4 s HIS 21 CO 0.83 -0.29 1.28 -0.40 -0.85 0.00 0.00 174.74 175.31 2py4 n ASP 22 N 0.81 2.62 0.00 1.40 5.75 -1.26 -1.19 116.55 124.68 2py4 n ASP 22 Ca -0.19 1.19 0.00 0.00 -0.01 0.00 0.00 54.79 55.79 2py4 n ASP 22 Cb 0.58 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 2py4 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2py4 n GLY 23 N 1.07 2.57 3.69 6.12 0.00 -1.26 -5.01 105.19 112.37 2py4 n GLY 23 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2py4 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py4 n ASP 24 N 0.00 2.05 0.13 1.61 8.00 -0.33 -4.89 116.55 123.12 2py4 n ASP 24 Ca 0.00 0.97 -0.02 0.00 0.71 0.00 0.00 54.79 56.46 2py4 n ASP 24 Cb 0.00 -1.49 0.15 0.00 -0.02 0.00 0.00 41.12 39.76 2py4 n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2py4 h ALA 25 N 1.38 0.93 -2.35 2.24 0.00 -1.95 -3.46 119.26 116.05 2py4 h ALA 25 Ca -0.49 -0.58 -0.51 0.00 0.00 0.00 0.00 54.91 53.32 2py4 h ALA 25 Cb 1.32 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2py4 h ALA 25 CO 0.56 0.80 -0.75 0.20 0.00 0.00 0.00 179.25 180.06 2py4 s GLY 26 N -4.48 1.57 -0.12 0.00 0.00 -1.26 -4.56 107.32 98.46 2py4 s GLY 26 Ca -0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 42.96 2py4 s GLY 26 CO 0.77 -1.78 0.04 -1.34 0.00 0.00 0.00 173.10 170.78 2py4 s VAL 27 N -2.65 4.65 0.13 1.40 -7.23 -0.55 -4.24 120.40 111.91 2py4 s VAL 27 Ca 0.24 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 2py4 s VAL 27 Cb -0.03 -3.02 -0.07 0.00 0.56 0.00 0.00 36.38 33.83 2py4 s VAL 27 CO 0.09 0.56 0.93 -1.81 -0.31 0.00 0.00 175.10 174.56 2py4 s ASP 28 N -0.47 7.50 0.03 4.85 1.01 0.05 0.13 116.67 129.77 2py4 s ASP 28 Ca 0.09 1.78 -0.10 0.00 0.71 0.00 0.00 52.55 55.04 2py4 s ASP 28 Cb -0.12 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 2py4 s ASP 28 CO 0.02 0.00 0.35 -0.76 0.21 0.00 0.00 175.17 174.99 2py4 s LEU 29 N -0.31 4.38 0.20 1.23 1.43 0.10 -3.93 118.68 121.79 2py4 s LEU 29 Ca 0.44 0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2py4 s LEU 29 Cb -0.24 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2py4 s LEU 29 CO 0.29 0.24 0.38 -0.31 0.23 0.00 0.00 176.35 177.19 2py4 s TYR 30 N -1.28 3.48 -0.04 0.29 2.02 -1.26 -0.71 117.35 119.85 2py4 s TYR 30 Ca 0.28 0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 57.04 2py4 s TYR 30 Cb -0.14 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 2py4 s TYR 30 CO 0.15 0.39 0.79 0.45 -1.57 0.00 0.00 175.55 175.76 2py4 s SER 31 N -3.21 7.12 0.09 2.29 0.15 -0.09 -4.25 113.70 115.79 2py4 s SER 31 Ca 0.38 1.35 0.26 0.00 0.70 0.00 0.00 55.95 58.63 2py4 s SER 31 Cb -0.11 -2.46 1.01 0.00 -1.71 0.00 0.00 66.02 62.75 2py4 s SER 31 CO 0.29 -0.16 1.81 0.00 1.20 0.00 0.00 173.24 176.38 2py4 n ALA 32 N 3.78 2.18 -2.49 5.45 0.00 0.49 -0.16 120.51 129.76 2py4 n ALA 32 Ca 0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 2py4 n ALA 32 Cb 0.51 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 2py4 n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2py4 s GLU 33 N -3.06 1.21 0.03 0.00 2.02 -1.26 -4.75 118.70 112.89 2py4 s GLU 33 Ca 0.11 -1.28 -0.25 0.00 0.02 0.00 0.00 54.97 53.57 2py4 s GLU 33 Cb 0.15 -1.41 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 2py4 s GLU 33 CO 0.51 0.31 0.76 -0.51 0.02 0.00 0.00 175.26 176.35 2py4 s ASP 34 N -2.24 7.18 -0.06 -0.19 1.01 -1.26 -2.56 116.67 118.55 2py4 s ASP 34 Ca 0.11 1.41 -0.14 0.00 0.71 0.00 0.00 52.55 54.64 2py4 s ASP 34 Cb -0.08 -2.46 0.03 0.00 1.01 0.00 0.00 42.92 41.42 2py4 s ASP 34 CO 0.05 -0.01 0.34 0.54 0.21 0.00 0.00 175.17 176.30 2py4 s VAL 35 N 0.09 0.03 -0.12 -1.27 0.11 -0.13 -4.94 120.40 114.17 2py4 s VAL 35 Ca 0.39 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 2py4 s VAL 35 Cb -0.20 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2py4 s VAL 35 CO 0.22 -0.16 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.01 2py4 s GLU 36 N -0.75 2.01 -0.29 1.54 2.12 -1.26 -0.23 118.70 121.84 2py4 s GLU 36 Ca -0.08 -0.46 -0.07 0.00 0.36 0.00 0.00 54.97 54.71 2py4 s GLU 36 Cb -0.04 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.52 2py4 s GLU 36 CO 0.03 -0.17 0.09 -0.51 -0.54 0.00 0.00 175.26 174.16 2py4 s LEU 37 N 1.32 3.82 0.84 2.70 1.43 0.67 -4.95 118.68 124.50 2py4 s LEU 37 Ca -0.00 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2py4 s LEU 37 Cb -0.14 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.28 2py4 s LEU 37 CO -0.06 -0.17 1.12 0.00 0.23 0.00 0.00 176.35 177.47 2py4 s ALA 38 N 1.54 1.88 -0.04 4.21 0.00 -1.26 -0.94 121.76 127.15 2py4 s ALA 38 Ca 0.04 0.43 -0.38 0.00 0.00 0.00 0.00 51.96 52.04 2py4 s ALA 38 Cb -0.17 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.43 2py4 s ALA 38 CO 0.03 -2.24 1.46 -2.30 0.00 0.00 0.00 175.76 172.71 2py4 n PRO 39 N -3.86 1.11 -0.06 0.00 -0.02 -1.26 -0.81 135.00 130.09 2py4 n PRO 39 Ca 0.10 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2py4 n PRO 39 Cb 0.53 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2py4 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2py4 n GLY 40 N 3.04 1.87 3.87 -1.23 0.00 0.56 -5.01 105.19 108.28 2py4 n GLY 40 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2py4 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2py4 s ARG 41 N -0.34 3.84 0.35 1.61 1.81 0.01 -4.76 118.95 121.47 2py4 s ARG 41 Ca 0.00 0.47 0.08 0.00 -1.72 0.00 0.00 55.73 54.56 2py4 s ARG 41 Cb 0.00 -2.45 -0.07 0.00 -0.45 0.00 0.00 34.95 31.98 2py4 s ARG 41 CO 0.00 0.09 -0.05 -0.98 -0.68 0.00 0.00 175.30 173.68 2py4 s ARG 42 N -3.43 1.82 0.10 3.54 1.70 -1.26 -1.17 118.95 120.26 2py4 s ARG 42 Ca 0.51 -1.97 -0.10 0.00 -0.47 0.00 0.00 55.73 53.70 2py4 s ARG 42 Cb -0.10 -1.58 0.00 0.00 -0.57 0.00 0.00 34.95 32.70 2py4 s ARG 42 CO 0.26 0.06 0.23 0.00 -1.08 0.00 0.00 175.30 174.77 2py4 s ALA 43 N -2.72 -0.35 -0.35 7.88 0.00 0.06 -4.99 121.76 121.28 2py4 s ALA 43 Ca 0.33 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 2py4 s ALA 43 Cb 0.05 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.75 2py4 s ALA 43 CO 0.16 -0.54 0.16 -1.17 0.00 0.00 0.00 175.76 174.37 2py4 s LEU 44 N -2.86 4.50 -0.15 0.00 2.96 -1.26 -1.36 118.68 120.51 2py4 s LEU 44 Ca 0.05 -1.04 -0.05 0.00 -0.22 0.00 0.00 54.13 52.87 2py4 s LEU 44 Cb 0.04 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2py4 s LEU 44 CO -0.11 -0.35 0.00 -0.69 -1.32 0.00 0.00 176.35 173.88 2py4 s VAL 45 N 1.48 4.25 0.31 1.68 1.01 0.69 -4.85 120.40 124.96 2py4 s VAL 45 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 2py4 s VAL 45 Cb -0.19 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 2py4 s VAL 45 CO 0.05 0.50 1.00 -0.13 0.00 0.00 0.00 175.10 176.52 2py4 s ARG 46 N 0.14 4.57 -0.00 2.72 0.52 -1.26 -0.45 118.95 125.19 2py4 s ARG 46 Ca 0.01 1.52 0.19 0.00 -0.52 0.00 0.00 55.73 56.93 2py4 s ARG 46 Cb -0.13 -2.95 -0.21 0.00 0.52 0.00 0.00 34.95 32.18 2py4 s ARG 46 CO 0.02 0.23 0.78 0.25 0.02 0.00 0.00 175.30 176.60 2py4 n THR 47 N 0.80 0.00 -1.01 0.02 -2.24 -1.02 -0.38 114.28 110.45 2py4 n THR 47 Ca 0.01 -0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2py4 n THR 47 Cb 0.48 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2py4 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2py4 n GLY 48 N 1.44 0.45 3.19 3.38 0.00 -1.26 -4.46 105.19 107.93 2py4 n GLY 48 Ca 0.03 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2py4 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2py4 s VAL 49 N -1.89 1.12 0.05 1.61 -7.23 -1.26 -0.67 120.40 112.13 2py4 s VAL 49 Ca 0.00 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 58.74 2py4 s VAL 49 Cb 0.00 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2py4 s VAL 49 CO 0.00 -0.36 -0.19 0.00 -0.31 0.00 0.00 175.10 174.24 2py4 s ALA 50 N -1.81 1.60 0.18 1.32 0.00 -0.37 -0.60 121.76 122.07 2py4 s ALA 50 Ca 0.03 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2py4 s ALA 50 Cb -0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 2py4 s ALA 50 CO 0.02 0.34 -0.01 0.14 0.00 0.00 0.00 175.76 176.24 2py4 s VAL 51 N -0.90 0.81 -0.61 0.00 -7.23 -1.26 -0.41 120.40 110.80 2py4 s VAL 51 Ca 0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2py4 s VAL 51 Cb -0.09 -2.13 0.15 0.00 0.56 0.00 0.00 36.38 34.87 2py4 s VAL 51 CO 0.02 -0.48 0.39 0.00 -0.31 0.00 0.00 175.10 174.73 2py4 s ALA 52 N -3.57 3.55 0.22 1.32 0.00 -0.48 -4.56 121.76 118.24 2py4 s ALA 52 Ca 0.24 -3.43 -0.32 0.00 0.00 0.00 0.00 51.96 48.45 2py4 s ALA 52 Cb 0.06 -2.36 -0.12 0.00 0.00 0.00 0.00 23.12 20.70 2py4 s ALA 52 CO 0.04 -2.07 1.72 0.08 0.00 0.00 0.00 175.76 175.53 2py4 s VAL 53 N -0.53 2.01 0.62 0.00 1.01 -1.26 -4.32 120.40 117.92 2py4 s VAL 53 Ca 0.19 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 2py4 s VAL 53 Cb -0.19 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 2py4 s VAL 53 CO -0.05 0.00 1.32 -2.84 0.00 0.00 0.00 175.10 173.53 2py4 s PRO 54 N 1.00 2.72 0.33 2.72 0.02 -1.26 -4.42 135.00 136.12 2py4 s PRO 54 Ca 0.74 2.13 -0.28 0.00 0.02 0.00 0.00 61.00 63.60 2py4 s PRO 54 Cb -0.50 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 31.93 2py4 s PRO 54 CO 0.34 -1.49 1.35 0.34 -0.33 0.00 0.00 177.00 177.21 2py4 n PHE 55 N -1.64 2.42 -0.41 6.54 7.35 -1.26 -0.97 117.46 129.49 2py4 n PHE 55 Ca 0.14 0.50 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 2py4 n PHE 55 Cb 0.47 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.85 2py4 n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2py4 n GLY 56 N 0.96 0.84 3.53 7.13 0.00 -1.26 -5.05 105.19 111.34 2py4 n GLY 56 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2py4 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2py4 s MET 57 N -0.52 1.91 -0.00 1.61 -1.94 -0.15 -1.07 119.30 119.14 2py4 s MET 57 Ca 0.00 -2.16 -0.04 0.00 -1.71 0.00 0.00 55.69 51.78 2py4 s MET 57 Cb 0.00 -0.73 -0.00 0.00 2.01 0.00 0.00 34.83 36.11 2py4 s MET 57 CO 0.00 -0.43 0.07 0.54 -0.01 0.00 0.00 175.02 175.20 2py4 s VAL 58 N -3.19 0.07 -0.02 -6.03 0.11 0.66 -4.25 120.40 107.73 2py4 s VAL 58 Ca 0.24 -0.55 -0.07 0.00 -2.93 0.00 0.00 61.98 58.68 2py4 s VAL 58 Cb 0.03 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 2py4 s VAL 58 CO 0.14 -0.30 0.24 -0.83 -3.33 0.00 0.00 175.10 171.01 2py4 s GLY 59 N -0.97 2.23 -0.07 6.54 0.00 -0.11 -1.31 107.32 113.63 2py4 s GLY 59 Ca -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.03 2py4 s GLY 59 CO 0.00 -0.40 -0.08 1.08 0.00 0.00 0.00 173.10 173.71 2py4 s LEU 60 N -1.58 1.39 -0.30 0.66 1.43 0.62 -0.15 118.68 120.74 2py4 s LEU 60 Ca 0.24 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2py4 s LEU 60 Cb -0.13 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2py4 s LEU 60 CO 0.14 -0.04 0.20 -0.69 0.23 0.00 0.00 176.35 176.19 2py4 s VAL 61 N 1.03 5.17 0.11 -1.59 1.01 0.17 -0.26 120.40 126.04 2py4 s VAL 61 Ca -0.09 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2py4 s VAL 61 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2py4 s VAL 61 CO -0.00 0.14 -0.21 -1.00 0.00 0.00 0.00 175.10 174.03 2py4 s HIS 62 N 1.72 2.47 0.70 5.22 3.76 0.07 -0.75 115.29 128.48 2py4 s HIS 62 Ca 0.06 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 54.53 2py4 s HIS 62 Cb -0.17 -1.33 0.02 0.00 1.11 0.00 0.00 32.58 32.22 2py4 s HIS 62 CO 0.10 0.36 1.12 -2.14 -0.85 0.00 0.00 174.74 173.33 2py4 s PRO 63 N -2.04 2.54 0.25 8.40 0.02 -1.26 -0.91 135.00 142.00 2py4 s PRO 63 Ca 0.16 1.43 -0.17 0.00 0.02 0.00 0.00 61.00 62.45 2py4 s PRO 63 Cb -0.10 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 2py4 s PRO 63 CO 0.08 -1.46 0.69 1.03 -0.33 0.00 0.00 177.00 177.02 2py4 s ARG 64 N -4.19 4.10 0.15 5.54 0.52 -1.26 -4.73 118.95 119.08 2py4 s ARG 64 Ca 0.67 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 2py4 s ARG 64 Cb -0.22 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 2py4 s ARG 64 CO 0.45 0.31 1.35 0.66 0.02 0.00 0.00 175.30 178.09 2py4 h SER 65 N 2.95 0.34 0.11 0.23 4.64 -1.96 -2.55 113.55 117.31 2py4 h SER 65 Ca -0.48 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 60.56 2py4 h SER 65 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2py4 h SER 65 CO 0.66 1.08 -0.05 1.23 -0.87 0.00 0.00 176.83 178.87 2py4 h GLY 66 N 1.65 -0.15 1.57 -0.77 0.00 -1.99 -1.70 103.07 101.68 2py4 h GLY 66 Ca -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2py4 h GLY 66 CO 0.14 -0.06 0.19 1.41 0.00 0.00 0.00 176.54 178.22 2py4 h LEU 67 N -0.35 0.50 -0.24 3.11 3.38 -1.92 0.35 115.31 120.13 2py4 h LEU 67 Ca -0.01 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2py4 h LEU 67 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2py4 h LEU 67 CO 0.02 0.44 0.14 0.00 0.09 0.00 0.00 178.44 179.14 2py4 h ALA 68 N 1.64 0.30 0.07 1.53 0.00 -1.11 -0.73 119.26 120.96 2py4 h ALA 68 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2py4 h ALA 68 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2py4 h ALA 68 CO -0.02 -0.25 -0.57 1.15 0.00 0.00 0.00 179.25 179.56 2py4 h THR 69 N 0.30 1.53 -0.41 0.00 2.02 -0.99 -1.10 112.91 114.26 2py4 h THR 69 Ca 0.09 -2.31 -0.11 0.00 0.77 0.00 0.00 66.41 64.86 2py4 h THR 69 Cb -0.01 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2py4 h THR 69 CO -0.04 0.65 -0.16 0.03 0.37 0.00 0.00 175.52 176.37 2py4 h ARG 70 N -0.40 0.84 0.00 6.66 3.08 -0.29 -3.36 114.38 120.90 2py4 h ARG 70 Ca -0.09 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2py4 h ARG 70 Cb 1.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2py4 h ARG 70 CO 0.11 0.98 0.00 1.33 -1.07 0.00 0.00 179.97 181.32 2py4 n VAL 71 N -4.26 0.16 -0.97 2.04 0.24 -0.35 -5.02 118.33 110.17 2py4 n VAL 71 Ca -0.01 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2py4 n VAL 71 Cb 0.41 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 2py4 n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2py4 n GLY 72 N -0.08 0.40 3.73 7.63 0.00 -0.41 -4.31 105.19 112.14 2py4 n GLY 72 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2py4 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2py4 s LEU 73 N 0.00 4.43 0.00 0.99 2.96 -1.01 -0.61 118.68 125.44 2py4 s LEU 73 Ca 0.00 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 2py4 s LEU 73 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2py4 s LEU 73 CO 0.00 -0.36 0.00 -0.24 -1.32 0.00 0.00 176.35 174.43 2py4 n SER 74 N 2.95 0.05 -3.81 3.68 2.88 0.10 -3.77 113.62 115.70 2py4 n SER 74 Ca 0.05 -0.81 -0.21 0.00 -1.33 0.00 0.00 58.87 56.58 2py4 n SER 74 Cb 0.46 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.75 2py4 n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2py4 s ILE 75 N -1.78 0.36 0.19 2.46 1.01 -1.26 -1.26 121.20 120.93 2py4 s ILE 75 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 2py4 s ILE 75 Cb 0.00 -0.48 0.12 0.00 0.01 0.00 0.00 42.46 42.11 2py4 s ILE 75 CO 0.00 0.23 1.76 0.58 0.00 0.00 0.00 174.94 177.50 2py4 h VAL 76 N 6.26 1.24 -0.71 2.92 2.07 -1.00 -2.23 116.25 124.82 2py4 h VAL 76 Ca -0.29 -0.74 -0.23 0.00 0.82 0.00 0.00 66.70 66.26 2py4 h VAL 76 Cb 1.13 0.43 -0.13 0.00 -1.52 0.00 0.00 31.29 31.20 2py4 h VAL 76 CO 0.35 0.30 0.29 -0.46 0.02 0.00 0.00 177.57 178.07 2py4 n ASN 77 N -4.39 4.54 -4.77 0.57 6.94 -1.26 -4.98 115.26 111.91 2py4 n ASN 77 Ca 0.05 -3.14 -0.41 0.00 -0.02 0.00 0.00 54.58 51.06 2py4 n ASN 77 Cb 0.17 -0.74 -0.01 0.00 -2.36 0.00 0.00 39.78 36.84 2py4 n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2py4 s SER 78 N -0.89 6.51 -0.11 0.53 0.15 -0.84 -2.94 113.70 116.12 2py4 s SER 78 Ca 0.51 2.90 -0.28 0.00 0.70 0.00 0.00 55.95 59.77 2py4 s SER 78 Cb 0.41 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2py4 s SER 78 CO 0.12 -0.75 0.93 -2.16 1.20 0.00 0.00 173.24 172.59 2py4 s PRO 79 N -1.76 4.41 0.34 5.44 0.04 -1.26 -5.08 135.00 137.13 2py4 s PRO 79 Ca 0.53 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2py4 s PRO 79 Cb -0.44 -3.53 -0.11 0.00 0.04 0.00 0.00 34.50 30.46 2py4 s PRO 79 CO 0.57 -0.26 1.51 0.20 0.04 0.00 0.00 177.00 179.06 2py4 s GLY 80 N 1.08 2.67 -0.36 0.56 0.00 0.07 -4.73 107.32 106.61 2py4 s GLY 80 Ca 0.45 1.55 -0.04 0.00 0.00 0.00 0.00 44.72 46.69 2py4 s GLY 80 CO 0.18 2.33 0.13 -1.59 0.00 0.00 0.00 173.10 174.15 2py4 s THR 81 N -0.74 3.38 -0.36 0.90 2.01 -1.26 -0.65 115.64 118.92 2py4 s THR 81 Ca 0.56 -1.62 -0.17 0.00 0.31 0.00 0.00 61.69 60.77 2py4 s THR 81 Cb -0.46 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 2py4 s THR 81 CO 0.57 -0.40 0.46 -0.63 -0.69 0.00 0.00 174.62 173.93 2py4 s ILE 82 N 1.25 5.07 0.51 1.82 -1.09 0.78 -4.97 121.20 124.57 2py4 s ILE 82 Ca 0.02 0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.42 2py4 s ILE 82 Cb -0.21 -3.93 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 2py4 s ILE 82 CO -0.01 -0.21 0.99 -1.81 -1.23 0.00 0.00 174.94 172.67 2py4 s ASP 83 N 1.76 6.57 0.53 3.58 1.01 -1.26 -0.94 116.67 127.93 2py4 s ASP 83 Ca 0.16 1.64 0.20 0.00 0.71 0.00 0.00 52.55 55.25 2py4 s ASP 83 Cb -0.16 -2.52 1.37 0.00 1.01 0.00 0.00 42.92 42.62 2py4 s ASP 83 CO 0.13 -0.62 2.13 0.00 0.21 0.00 0.00 175.17 177.02 2py4 h ALA 84 N 1.07 2.05 -0.00 5.23 0.00 -1.77 -1.58 119.26 124.26 2py4 h ALA 84 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2py4 h ALA 84 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2py4 h ALA 84 CO 0.61 -0.14 -0.21 0.41 0.00 0.00 0.00 179.25 179.92 2py4 n GLY 85 N -1.53 -0.89 3.71 0.00 0.00 -1.26 -4.20 105.19 101.02 2py4 n GLY 85 Ca -0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2py4 n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2py4 s TYR 86 N -2.58 3.42 -0.03 1.61 5.04 -0.59 -4.88 117.35 119.34 2py4 s TYR 86 Ca 0.24 1.27 0.04 0.00 -2.44 0.00 0.00 57.07 56.18 2py4 s TYR 86 Cb 0.19 -3.44 0.06 0.00 0.35 0.00 0.00 41.96 39.12 2py4 s TYR 86 CO 0.52 -1.38 0.97 0.54 -1.34 0.00 0.00 175.55 174.86 2py4 n ARG 87 N 3.94 2.10 -1.04 4.97 5.12 -1.26 -4.62 116.66 125.86 2py4 n ARG 87 Ca 0.09 -1.57 -0.13 0.00 -1.93 0.00 0.00 57.85 54.31 2py4 n ARG 87 Cb 0.46 -1.02 0.09 0.00 -1.16 0.00 0.00 32.46 30.83 2py4 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2py4 n GLY 88 N -0.61 -0.87 3.74 -0.13 0.00 -1.26 -4.82 105.19 101.23 2py4 n GLY 88 Ca 0.03 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2py4 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2py4 s GLU 89 N -4.23 4.63 0.08 1.61 2.12 -1.26 -4.32 118.70 117.32 2py4 s GLU 89 Ca 0.35 1.70 -0.31 0.00 0.36 0.00 0.00 54.97 57.07 2py4 s GLU 89 Cb -0.01 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 2py4 s GLU 89 CO 0.24 0.14 1.29 0.42 -0.54 0.00 0.00 175.26 176.82 2py4 s ILE 90 N -0.47 3.71 0.09 -3.70 1.01 0.23 -4.99 121.20 117.08 2py4 s ILE 90 Ca 0.48 1.22 0.08 0.00 0.00 0.00 0.00 60.65 62.43 2py4 s ILE 90 Cb -0.29 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2py4 s ILE 90 CO 0.35 0.09 -0.22 -0.54 0.00 0.00 0.00 174.94 174.62 2py4 s LYS 91 N 1.18 1.24 -0.12 2.79 1.02 -1.26 -2.45 119.74 122.14 2py4 s LYS 91 Ca 0.61 -1.14 0.03 0.00 0.02 0.00 0.00 55.97 55.50 2py4 s LYS 91 Cb -0.33 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2py4 s LYS 91 CO 0.29 0.36 -0.22 0.08 -0.92 0.00 0.00 175.35 174.94 2py4 s VAL 92 N -1.06 2.01 -1.20 3.17 1.01 0.40 -4.86 120.40 119.87 2py4 s VAL 92 Ca 0.08 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2py4 s VAL 92 Cb -0.10 -1.76 0.19 0.00 0.00 0.00 0.00 36.38 34.71 2py4 s VAL 92 CO 0.04 0.54 1.41 0.00 0.00 0.00 0.00 175.10 177.09 2py4 n ALA 93 N 3.87 4.00 -1.78 5.51 0.00 -1.26 -0.23 120.51 130.62 2py4 n ALA 93 Ca -0.20 -4.32 -0.35 0.00 0.00 0.00 0.00 53.44 48.58 2py4 n ALA 93 Cb 0.52 -2.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.00 2py4 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2py4 s LEU 94 N 1.05 3.78 -0.05 0.00 1.43 -0.47 -0.35 118.68 124.07 2py4 s LEU 94 Ca 0.41 2.11 -0.07 0.00 -1.03 0.00 0.00 54.13 55.55 2py4 s LEU 94 Cb -0.03 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.63 2py4 s LEU 94 CO -0.01 -1.08 0.17 -0.51 0.23 0.00 0.00 176.35 175.15 2py4 s ILE 95 N -1.83 0.02 -0.48 -0.59 2.07 -0.38 -0.76 121.20 119.24 2py4 s ILE 95 Ca 0.71 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.59 2py4 s ILE 95 Cb -0.22 -0.31 0.05 0.00 0.13 0.00 0.00 42.46 42.12 2py4 s ILE 95 CO 0.25 -0.10 0.55 0.21 -1.91 0.00 0.00 174.94 173.94 2py4 s ASN 96 N -0.29 6.21 0.00 4.50 3.84 -0.31 -0.72 114.94 128.17 2py4 s ASN 96 Ca -0.04 -0.93 0.15 0.00 0.21 0.00 0.00 52.86 52.26 2py4 s ASN 96 Cb -0.03 -2.26 0.45 0.00 -0.55 0.00 0.00 41.25 38.86 2py4 s ASN 96 CO 0.01 -0.79 1.36 0.18 -2.79 0.00 0.00 177.10 175.07 2py4 n LEU 97 N 5.89 2.32 -4.79 3.21 4.77 0.22 -0.32 117.00 128.29 2py4 n LEU 97 Ca -0.08 -1.13 -0.35 0.00 -0.03 0.00 0.00 56.01 54.43 2py4 n LEU 97 Cb 0.45 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2py4 n LEU 97 CO 0.51 0.56 0.70 -0.62 -1.33 0.00 0.00 177.39 177.22 2py4 s ASP 98 N -1.11 6.75 0.23 -1.43 2.15 -1.25 -4.93 116.67 117.08 2py4 s ASP 98 Ca 0.30 1.91 0.26 0.00 0.43 0.00 0.00 52.55 55.45 2py4 s ASP 98 Cb 0.16 -2.57 0.78 0.00 -0.30 0.00 0.00 42.92 40.99 2py4 s ASP 98 CO 0.22 -0.49 1.76 1.55 -0.17 0.00 0.00 175.17 178.04 2py4 h PRO 99 N 2.19 0.00 0.00 4.34 0.14 -1.95 -3.34 132.00 133.38 2py4 h PRO 99 Ca -0.49 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.65 2py4 h PRO 99 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.35 2py4 h PRO 99 CO 0.61 0.00 0.00 0.00 0.14 0.00 0.00 178.00 178.75 2py4 n ALA 100 N -1.81 0.80 -2.96 -0.56 0.00 -1.26 -4.85 120.51 109.86 2py4 n ALA 100 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 2py4 n ALA 100 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 2py4 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2py4 s ALA 101 N -0.82 3.20 0.68 0.00 0.00 -1.26 -4.83 121.76 118.72 2py4 s ALA 101 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 2py4 s ALA 101 Cb 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2py4 s ALA 101 CO 0.00 -0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.49 2py4 s PRO 102 N 0.96 2.67 -0.16 0.00 0.04 -1.26 -4.52 135.00 132.74 2py4 s PRO 102 Ca 0.03 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 2py4 s PRO 102 Cb -0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2py4 s PRO 102 CO 0.02 -1.35 -0.04 0.42 0.04 0.00 0.00 177.00 176.10 2py4 s ILE 103 N -2.37 3.89 -0.22 0.56 1.01 -0.12 -4.95 121.20 119.00 2py4 s ILE 103 Ca 0.67 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 2py4 s ILE 103 Cb -0.21 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 2py4 s ILE 103 CO 0.43 0.49 0.00 -0.69 0.00 0.00 0.00 174.94 175.18 2py4 s VAL 104 N 0.39 3.83 -0.16 2.92 1.01 -1.26 -0.24 120.40 126.88 2py4 s VAL 104 Ca -0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2py4 s VAL 104 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2py4 s VAL 104 CO 0.03 0.40 0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2py4 s VAL 105 N 1.34 4.38 -0.02 2.92 1.01 0.68 -5.01 120.40 125.70 2py4 s VAL 105 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2py4 s VAL 105 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2py4 s VAL 105 CO 0.01 0.49 0.11 -1.00 0.00 0.00 0.00 175.10 174.71 2py4 s HIS 106 N 0.25 3.39 0.10 5.22 3.76 -1.26 -0.95 115.29 125.79 2py4 s HIS 106 Ca 0.01 0.28 -0.36 0.00 -0.15 0.00 0.00 55.06 54.84 2py4 s HIS 106 Cb -0.13 -1.78 -0.17 0.00 1.11 0.00 0.00 32.58 31.61 2py4 s HIS 106 CO 0.01 0.59 1.22 -2.13 -0.85 0.00 0.00 174.74 173.59 2py4 n ARG 107 N 1.20 0.94 -0.08 1.40 0.63 -1.06 -0.96 116.66 118.74 2py4 n ARG 107 Ca -0.13 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2py4 n ARG 107 Cb 0.53 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.54 2py4 n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2py4 n GLY 108 N 2.20 0.72 3.80 5.14 0.00 0.77 -4.97 105.19 112.86 2py4 n GLY 108 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2py4 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2py4 s ASP 109 N -2.67 6.00 -0.38 1.61 1.01 -0.13 -4.77 116.67 117.35 2py4 s ASP 109 Ca 0.00 1.83 -0.19 0.00 0.71 0.00 0.00 52.55 54.90 2py4 s ASP 109 Cb 0.00 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2py4 s ASP 109 CO 0.00 -1.01 0.56 -0.13 0.21 0.00 0.00 175.17 174.80 2py4 s ARG 110 N -3.85 3.51 0.00 8.23 0.52 -1.26 -0.91 118.95 125.19 2py4 s ARG 110 Ca 0.64 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.70 2py4 s ARG 110 Cb -0.16 -3.85 0.03 0.00 0.52 0.00 0.00 34.95 31.49 2py4 s ARG 110 CO 0.32 -0.76 0.62 0.44 0.02 0.00 0.00 175.30 175.94 2py4 n ILE 111 N 5.56 0.00 -3.87 1.52 -5.35 0.11 -4.98 119.36 112.35 2py4 n ILE 111 Ca -0.03 -0.48 -0.01 0.00 -0.27 0.00 0.00 62.75 61.95 2py4 n ILE 111 Cb 0.48 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 2py4 n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2py4 s ALA 112 N -0.62 -1.95 0.03 -1.28 0.00 -1.22 -4.54 121.76 112.19 2py4 s ALA 112 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2py4 s ALA 112 Cb 0.05 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 2py4 s ALA 112 CO 0.09 -1.09 -0.07 1.14 0.00 0.00 0.00 175.76 175.83 2py4 s GLN 113 N -2.26 0.51 -0.20 0.00 -2.07 -0.09 -0.72 119.66 114.84 2py4 s GLN 113 Ca 0.22 -0.60 -0.04 0.00 -1.82 0.00 0.00 55.36 53.12 2py4 s GLN 113 Cb -0.01 -0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 31.55 2py4 s GLN 113 CO 0.02 0.07 -0.04 -1.17 -1.32 0.00 0.00 175.29 172.85 2py4 s LEU 114 N -1.16 2.99 0.22 2.60 2.96 0.12 -0.75 118.68 125.66 2py4 s LEU 114 Ca -0.06 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 2py4 s LEU 114 Cb -0.08 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2py4 s LEU 114 CO 0.00 0.04 0.24 -0.76 -1.32 0.00 0.00 176.35 174.55 2py4 s LEU 115 N 1.15 4.01 -0.06 -0.68 1.02 0.64 -1.48 118.68 123.28 2py4 s LEU 115 Ca 0.02 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.10 2py4 s LEU 115 Cb -0.15 -2.56 0.01 0.00 0.02 0.00 0.00 46.19 43.51 2py4 s LEU 115 CO -0.00 -0.02 -0.15 -0.69 0.02 0.00 0.00 176.35 175.51 2py4 s VAL 116 N -1.99 1.31 0.05 -1.59 1.01 -1.26 -0.27 120.40 117.65 2py4 s VAL 116 Ca 0.33 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2py4 s VAL 116 Cb -0.09 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2py4 s VAL 116 CO 0.26 0.39 -0.05 -1.10 0.00 0.00 0.00 175.10 174.60 2py4 s GLN 117 N 0.45 0.54 0.76 2.72 -0.21 -0.43 -4.98 119.66 118.50 2py4 s GLN 117 Ca -0.12 -0.91 -0.15 0.00 0.02 0.00 0.00 55.36 54.20 2py4 s GLN 117 Cb -0.15 -0.08 0.05 0.00 1.00 0.00 0.00 33.01 33.83 2py4 s GLN 117 CO 0.04 -0.02 1.23 1.03 -2.12 0.00 0.00 175.29 175.45 2py4 s ARG 118 N -2.38 1.93 0.01 2.91 0.52 -1.26 -0.25 118.95 120.43 2py4 s ARG 118 Ca -0.05 1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 57.01 2py4 s ARG 118 Cb -0.04 -1.80 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 2py4 s ARG 118 CO -0.03 -2.02 -0.01 0.54 0.02 0.00 0.00 175.30 173.81 2py4 s VAL 119 N -1.92 0.08 -0.32 3.52 0.11 -0.23 -4.72 120.40 116.92 2py4 s VAL 119 Ca 0.76 -0.63 -0.22 0.00 -2.93 0.00 0.00 61.98 58.95 2py4 s VAL 119 Cb -0.31 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2py4 s VAL 119 CO 0.47 -0.35 0.74 -1.61 -3.33 0.00 0.00 175.10 171.02 2py4 s GLU 120 N -1.03 3.91 -0.76 1.54 0.41 -1.26 -4.63 118.70 116.88 2py4 s GLU 120 Ca -0.11 0.45 -0.24 0.00 -0.41 0.00 0.00 54.97 54.66 2py4 s GLU 120 Cb -0.07 -3.74 0.06 0.00 -1.78 0.00 0.00 34.13 28.59 2py4 s GLU 120 CO -0.01 -0.68 1.17 -0.51 -0.49 0.00 0.00 175.26 174.75 2py4 s LEU 121 N 2.88 3.80 0.47 1.80 1.43 -1.26 -4.96 118.68 122.84 2py4 s LEU 121 Ca 0.30 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.32 2py4 s LEU 121 Cb -0.14 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2py4 s LEU 121 CO 0.13 -1.59 0.96 0.68 0.23 0.00 0.00 176.35 176.75 2py4 s VAL 122 N 4.79 4.47 -0.26 -1.59 -7.23 -1.26 -5.02 120.40 114.31 2py4 s VAL 122 Ca 0.31 1.33 -0.07 0.00 -1.81 0.00 0.00 61.98 61.75 2py4 s VAL 122 Cb -0.10 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 2py4 s VAL 122 CO 0.08 -0.50 0.05 -0.70 -0.31 0.00 0.00 175.10 173.73 2py4 s GLU 123 N -3.61 3.41 0.29 4.82 2.12 -1.26 -5.08 118.70 119.38 2py4 s GLU 123 Ca 0.60 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.01 2py4 s GLU 123 Cb -0.09 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 2py4 s GLU 123 CO 0.22 -0.28 1.09 -0.51 -0.54 0.00 0.00 175.26 175.24 2py4 s LEU 124 N 1.55 4.52 -0.28 2.70 1.43 -1.26 -5.01 118.68 122.34 2py4 s LEU 124 Ca 0.05 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 2py4 s LEU 124 Cb -0.16 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.47 2py4 s LEU 124 CO 0.02 -0.16 0.01 -0.69 0.23 0.00 0.00 176.35 175.76 2py4 s VAL 125 N -1.20 1.56 -0.01 -1.59 1.01 -1.26 -5.10 120.40 113.81 2py4 s VAL 125 Ca 0.45 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 2py4 s VAL 125 Cb -0.31 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2py4 s VAL 125 CO 0.40 -0.37 1.19 -0.70 0.00 0.00 0.00 175.10 175.62 2py4 s GLU 126 N 1.33 4.39 0.25 2.72 2.12 -1.26 -5.02 118.70 123.22 2py4 s GLU 126 Ca 0.02 1.69 0.08 0.00 0.36 0.00 0.00 54.97 57.12 2py4 s GLU 126 Cb -0.18 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 2py4 s GLU 126 CO -0.11 -0.36 -0.11 0.14 -0.54 0.00 0.00 175.26 174.28 2py4 s VAL 127 N 1.78 1.80 -0.31 3.70 -7.23 -1.26 -5.04 120.40 113.84 2py4 s VAL 127 Ca 0.57 -2.19 0.21 0.00 -1.81 0.00 0.00 61.98 58.76 2py4 s VAL 127 Cb -0.26 -2.28 0.16 0.00 0.56 0.00 0.00 36.38 34.55 2py4 s VAL 127 CO 0.25 -0.42 1.35 0.77 -0.31 0.00 0.00 175.10 176.73 2py4 h SER 128 N 2.37 0.00 -4.72 4.85 4.64 -1.98 -3.47 113.55 115.25 2py4 h SER 128 Ca -0.39 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2py4 h SER 128 Cb 1.23 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.15 2py4 h SER 128 CO 0.64 0.11 0.36 -0.94 -0.87 0.00 0.00 176.83 176.13 2py4 s SER 129 N -5.93 -0.49 0.49 4.97 1.04 -1.26 -5.02 113.70 107.49 2py4 s SER 129 Ca 0.03 0.26 0.18 0.00 0.48 0.00 0.00 55.95 56.90 2py4 s SER 129 Cb 0.07 0.46 1.21 0.00 0.10 0.00 0.00 66.02 67.86 2py4 s SER 129 CO 0.73 -0.65 2.06 -0.26 0.98 0.00 0.00 173.24 176.10 2py4 h PHE 130 N 2.36 0.00 -0.54 5.02 0.04 -1.96 -2.16 116.94 119.70 2py4 h PHE 130 Ca -0.26 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.58 2py4 h PHE 130 Cb 1.22 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.31 2py4 h PHE 130 CO 0.29 0.12 0.23 -0.44 -0.60 0.00 0.00 178.31 177.91 2py4 h ASP 131 N 0.00 0.29 -0.58 2.17 5.19 -1.96 -2.05 116.42 119.48 2py4 h ASP 131 Ca -0.00 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2py4 h ASP 131 Cb 0.23 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 2py4 h ASP 131 CO 0.02 0.19 0.38 1.05 -3.12 0.00 0.00 179.24 177.76 2py4 h GLU 132 N 0.45 0.67 0.00 3.56 -0.00 -1.77 1.28 114.58 118.76 2py4 h GLU 132 Ca 0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.57 2py4 h GLU 132 Cb 0.24 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 2py4 h GLU 132 CO -0.22 0.44 0.00 0.00 -0.00 0.00 0.00 179.01 179.23 2py4 n ALA 133 N -2.46 2.25 -2.19 1.06 0.00 -0.82 -4.83 120.51 113.52 2py4 n ALA 133 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2py4 n ALA 133 Cb 0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2py4 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2py4 n GLY 134 N 0.28 -0.02 3.75 0.00 0.00 0.44 -4.97 105.19 104.66 2py4 n GLY 134 Ca 0.12 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2py4 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2py4 s LEU 135 N -4.68 4.57 0.53 0.99 1.43 -0.94 -5.03 118.68 115.55 2py4 s LEU 135 Ca 0.00 1.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 2py4 s LEU 135 Cb 0.00 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 2py4 s LEU 135 CO 0.00 0.09 1.11 0.00 0.23 0.00 0.00 176.35 177.78 2py4 s ALA 136 N -0.70 2.74 0.66 4.21 0.00 -1.26 -4.61 121.76 122.80 2py4 s ALA 136 Ca 0.41 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.98 2py4 s ALA 136 Cb -0.24 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2py4 s ALA 136 CO 0.29 -0.66 0.89 0.43 0.00 0.00 0.00 175.76 176.71 2py4 n SER 137 N -1.19 0.34 -4.44 0.00 7.64 -1.26 -5.03 113.62 109.67 2py4 n SER 137 Ca 0.11 0.73 -0.23 0.00 1.01 0.00 0.00 58.87 60.48 2py4 n SER 137 Cb 0.51 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.25 2py4 n SER 137 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2py4 s THR 138 N -1.67 2.33 0.13 0.44 -4.23 -1.26 -5.04 115.64 106.35 2py4 s THR 138 Ca 0.74 -2.36 -0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2py4 s THR 138 Cb -0.38 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2py4 s THR 138 CO 0.49 -0.43 1.73 -1.28 -0.54 0.00 0.00 174.62 174.59 2py4 h SER 139 N 2.35 0.00 -0.04 3.99 0.87 -2.05 -2.88 113.55 115.79 2py4 h SER 139 Ca -0.40 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.06 2py4 h SER 139 Cb 1.25 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2py4 h SER 139 CO 0.60 0.03 -0.42 -0.09 -0.53 0.00 0.00 176.83 176.42 2py4 h ARG 140 N 0.13 0.57 0.00 2.24 2.43 -1.96 -3.48 114.38 114.32 2py4 h ARG 140 Ca 0.11 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2py4 h ARG 140 Cb 0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2py4 h ARG 140 CO -0.15 0.89 0.00 0.41 -1.51 0.00 0.00 179.97 179.61 2py4 n GLY 141 N 0.02 3.18 1.58 2.80 0.00 -1.09 -1.54 105.19 110.14 2py4 n GLY 141 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2py4 n GLY 141 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2py4 n ASP 142 N 3.22 4.67 -4.73 1.61 5.68 -1.26 -4.93 116.55 120.80 2py4 n ASP 142 Ca 0.00 -2.68 -0.41 0.00 -0.50 0.00 0.00 54.79 51.19 2py4 n ASP 142 Cb 0.00 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.31 2py4 n ASP 142 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2py4 s GLY 143 N -0.65 2.87 0.00 6.12 0.00 -0.59 -4.99 107.32 110.08 2py4 s GLY 143 Ca 0.43 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.84 2py4 s GLY 143 CO 0.14 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.46 2py4 n GLY 144 N 2.34 2.03 4.13 0.20 0.00 -1.26 -4.93 105.19 107.70 2py4 n GLY 144 Ca 0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2py4 n GLY 144 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2py4 n HIS 145 N 0.00 -1.57 -0.05 1.61 8.25 -1.26 -2.02 115.22 120.18 2py4 n HIS 145 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 2py4 n HIS 145 Cb 0.00 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 27.86 2py4 n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2py4 n GLY 146 N -1.90 0.98 0.32 -1.41 0.00 -1.26 -4.97 105.19 96.95 2py4 n GLY 146 Ca -0.19 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.01 2py4 n GLY 146 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2py4 h SER 147 N 0.00 0.00 0.07 1.61 4.64 -1.76 -0.20 113.55 117.91 2py4 h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2py4 h SER 147 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2py4 h SER 147 CO 0.00 0.00 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.36 2py4 n SER 148 N -3.50 1.20 0.00 4.97 3.41 -1.26 -5.01 113.62 113.42 2py4 n SER 148 Ca -0.02 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2py4 n SER 148 Cb 0.13 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2py4 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2py4 n GLY 149 N 1.20 -0.45 0.00 5.00 0.00 -0.09 -4.99 105.19 105.86 2py4 n GLY 149 Ca 0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2py4 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2py4 n GLY 150 N 0.00 0.82 3.56 -0.02 0.00 -1.26 -4.99 105.19 103.31 2py4 n GLY 150 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2py4 n GLY 150 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2py4 s HIS 151 N -2.00 -0.54 0.37 1.61 5.65 -1.26 -5.05 115.29 114.07 2py4 s HIS 151 Ca 0.00 1.02 0.38 0.00 0.25 0.00 0.00 55.06 56.71 2py4 s HIS 151 Cb 0.00 0.41 1.98 0.00 -1.18 0.00 0.00 32.58 33.78 2py4 s HIS 151 CO 0.00 -0.45 2.17 0.00 -0.65 0.00 0.00 174.74 175.81 2py4 h ALA 152 N 3.14 1.00 -0.01 1.58 0.00 -2.04 -1.51 119.26 121.42 2py4 h ALA 152 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2py4 h ALA 152 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2py4 h ALA 152 CO 0.30 0.00 -0.25 -1.13 0.00 0.00 0.00 179.25 178.17 2py4 n SER 153 N -2.93 0.86 -0.95 0.00 3.41 -1.26 -5.25 113.62 107.50 2py4 n SER 153 Ca -0.02 -0.75 0.12 0.00 -0.26 0.00 0.00 58.87 57.96 2py4 n SER 153 Cb 0.12 0.10 0.11 0.00 -0.26 0.00 0.00 64.21 64.28 2py4 n SER 153 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06