#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whp s PRO 2 N 0.00 -1.28 -0.24 7.34 0.02 -1.26 -5.00 135.00 134.57 1whp s PRO 2 Ca 0.00 0.33 -0.06 0.00 0.02 0.00 0.00 61.00 61.29 1whp s PRO 2 Cb 0.00 -1.55 -0.17 0.00 0.02 0.00 0.00 34.50 32.79 1whp s PRO 2 CO 0.00 -3.84 -0.13 1.17 -0.33 0.00 0.00 177.00 173.88 1whp n LYS 3 N -4.92 0.64 -3.78 5.54 4.81 -1.26 -4.85 118.16 114.34 1whp n LYS 3 Ca 0.08 0.24 -0.37 0.00 -0.87 0.00 0.00 58.31 57.39 1whp n LYS 3 Cb 0.58 -1.56 -0.13 0.00 0.02 0.00 0.00 35.03 33.94 1whp n LYS 3 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1whp s VAL 4 N -2.51 3.88 0.07 3.15 1.01 -1.26 -0.61 120.40 124.13 1whp s VAL 4 Ca -0.34 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1whp s VAL 4 Cb 0.10 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1whp s VAL 4 CO 0.60 0.14 -0.21 0.42 0.00 0.00 0.00 175.10 176.05 1whp s THR 5 N 1.50 1.72 -0.30 3.92 -4.23 -0.77 -4.40 115.64 113.07 1whp s THR 5 Ca 0.03 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1whp s THR 5 Cb -0.17 -1.52 0.08 0.00 1.34 0.00 0.00 72.50 72.23 1whp s THR 5 CO 0.02 0.10 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.84 1whp s PHE 6 N -0.95 3.31 -0.21 3.99 0.08 0.39 -1.82 117.98 122.78 1whp s PHE 6 Ca 0.07 -2.58 -0.12 0.00 0.12 0.00 0.00 56.93 54.43 1whp s PHE 6 Cb -0.09 -2.40 -0.05 0.00 -0.57 0.00 0.00 43.02 39.91 1whp s PHE 6 CO 0.03 -0.91 0.21 0.99 -0.10 0.00 0.00 175.22 175.44 1whp s THR 7 N 1.07 5.34 -0.38 0.64 2.01 -0.74 -0.28 115.64 123.29 1whp s THR 7 Ca 0.03 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 1whp s THR 7 Cb -0.19 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1whp s THR 7 CO -0.08 0.37 0.81 -0.69 -0.69 0.00 0.00 174.62 174.34 1whp s VAL 8 N 0.75 4.69 0.65 3.82 1.01 -0.85 0.11 120.40 130.57 1whp s VAL 8 Ca 0.11 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 1whp s VAL 8 Cb -0.13 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1whp s VAL 8 CO 0.03 -0.51 1.05 -1.61 0.00 0.00 0.00 175.10 174.05 1whp s GLU 9 N 3.21 3.32 0.15 2.72 0.41 -0.05 -0.37 118.70 128.08 1whp s GLU 9 Ca 0.32 0.78 -0.31 0.00 -0.41 0.00 0.00 54.97 55.35 1whp s GLU 9 Cb -0.13 -2.05 -0.11 0.00 -1.78 0.00 0.00 34.13 30.07 1whp s GLU 9 CO 0.19 -0.78 1.74 0.15 -0.49 0.00 0.00 175.26 176.06 1whp s LYS 10 N -5.15 4.15 0.00 1.61 -0.14 -1.26 -2.87 119.74 116.07 1whp s LYS 10 Ca 0.56 2.54 0.00 0.00 -1.36 0.00 0.00 55.97 57.71 1whp s LYS 10 Cb -0.12 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 1whp s LYS 10 CO 0.54 -0.77 0.00 0.41 -0.76 0.00 0.00 175.35 174.77 1whp n GLY 11 N 4.06 1.65 3.75 -3.33 0.00 -1.26 -5.04 105.19 105.02 1whp n GLY 11 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1whp n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whp s SER 12 N -1.89 5.28 0.30 1.61 0.01 -1.14 -4.90 113.70 112.97 1whp s SER 12 Ca 0.00 2.51 -0.16 0.00 1.31 0.00 0.00 55.95 59.61 1whp s SER 12 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 1whp s SER 12 CO 0.00 -1.54 0.65 0.54 0.41 0.00 0.00 173.24 173.30 1whp s ASN 13 N -1.36 -0.06 0.60 2.44 2.20 0.57 -4.97 114.94 114.35 1whp s ASN 13 Ca 0.75 -0.89 0.29 0.00 -0.94 0.00 0.00 52.86 52.07 1whp s ASN 13 Cb -0.34 0.71 1.53 0.00 -2.00 0.00 0.00 41.25 41.16 1whp s ASN 13 CO 0.38 -1.37 1.94 1.05 -2.94 0.00 0.00 177.10 176.16 1whp h GLU 14 N 2.08 0.00 -0.20 3.55 4.11 -1.96 -0.55 114.58 121.61 1whp h GLU 14 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1whp h GLU 14 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1whp h GLU 14 CO 0.31 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.02 1whp n LYS 15 N -3.65 1.95 -3.40 1.06 5.02 -1.26 -0.64 118.16 117.24 1whp n LYS 15 Ca 0.06 -1.65 -0.16 0.00 -2.02 0.00 0.00 58.31 54.54 1whp n LYS 15 Cb 0.57 -1.22 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 1whp n LYS 15 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1whp s HIS 16 N -0.93 -0.50 0.16 2.13 2.46 -0.21 -0.03 115.29 118.36 1whp s HIS 16 Ca 0.17 -0.09 -0.13 0.00 0.47 0.00 0.00 55.06 55.48 1whp s HIS 16 Cb 0.10 -0.42 -0.07 0.00 -0.13 0.00 0.00 32.58 32.06 1whp s HIS 16 CO 0.13 -0.90 0.54 -1.17 -2.47 0.00 0.00 174.74 170.87 1whp s LEU 17 N 2.38 4.30 -0.14 8.88 2.96 -0.98 -0.32 118.68 135.76 1whp s LEU 17 Ca 0.09 1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1whp s LEU 17 Cb -0.14 -3.33 0.06 0.00 0.50 0.00 0.00 46.19 43.28 1whp s LEU 17 CO -0.31 0.07 0.11 0.00 -1.32 0.00 0.00 176.35 174.90 1whp s ALA 18 N -1.53 0.23 0.02 5.97 0.00 -1.26 -1.71 121.76 123.46 1whp s ALA 18 Ca 0.39 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.39 1whp s ALA 18 Cb -0.14 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1whp s ALA 18 CO 0.19 -1.00 -0.26 0.08 0.00 0.00 0.00 175.76 174.78 1whp s VAL 19 N 2.19 2.16 -0.79 0.00 1.01 -0.71 -0.87 120.40 123.39 1whp s VAL 19 Ca 0.03 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1whp s VAL 19 Cb -0.15 -1.80 0.21 0.00 0.00 0.00 0.00 36.38 34.64 1whp s VAL 19 CO -0.08 0.46 0.72 -0.22 0.00 0.00 0.00 175.10 175.98 1whp s LEU 20 N -0.97 6.62 -0.44 3.92 0.20 0.29 -0.92 118.68 127.37 1whp s LEU 20 Ca 0.11 -2.61 -0.26 0.00 0.69 0.00 0.00 54.13 52.06 1whp s LEU 20 Cb -0.10 -2.19 0.02 0.00 -0.43 0.00 0.00 46.19 43.50 1whp s LEU 20 CO 0.01 -0.59 0.95 -0.69 -0.29 0.00 0.00 176.35 175.74 1whp s VAL 21 N 0.30 4.46 -0.04 1.68 1.01 -1.25 -1.80 120.40 124.77 1whp s VAL 21 Ca 0.16 0.89 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1whp s VAL 21 Cb -0.13 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 1whp s VAL 21 CO -0.07 -0.79 -0.11 -0.54 0.00 0.00 0.00 175.10 173.58 1whp s LYS 22 N 3.78 2.55 -0.30 2.72 1.02 -0.75 -4.87 119.74 123.89 1whp s LYS 22 Ca 0.38 -0.68 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 1whp s LYS 22 Cb -0.10 -2.45 0.10 0.00 -0.52 0.00 0.00 37.83 34.86 1whp s LYS 22 CO 0.25 0.63 0.13 -0.47 -0.92 0.00 0.00 175.35 174.97 1whp s TYR 23 N -0.83 0.67 0.08 3.18 6.14 -1.25 -1.85 117.35 123.49 1whp s TYR 23 Ca 0.13 -1.16 -0.35 0.00 0.64 0.00 0.00 57.07 56.34 1whp s TYR 23 Cb -0.11 -1.08 -0.14 0.00 0.42 0.00 0.00 41.96 41.05 1whp s TYR 23 CO 0.03 -0.84 1.62 0.39 0.64 0.00 0.00 175.55 177.38 1whp n GLU 24 N 5.01 1.96 -0.28 4.97 -0.58 0.22 -1.23 120.64 130.70 1whp n GLU 24 Ca -0.03 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1whp n GLU 24 Cb 0.41 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1whp n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1whp n GLY 25 N 3.53 0.72 3.77 0.62 0.00 -1.26 -4.96 105.19 107.61 1whp n GLY 25 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1whp n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whp s ASP 26 N -2.66 0.11 0.01 1.61 -1.08 -0.37 -5.04 116.67 109.25 1whp s ASP 26 Ca 0.00 -1.16 0.02 0.00 -0.52 0.00 0.00 52.55 50.89 1whp s ASP 26 Cb 0.00 0.82 -0.01 0.00 -1.46 0.00 0.00 42.92 42.27 1whp s ASP 26 CO 0.00 -1.62 -0.06 0.42 0.52 0.00 0.00 175.17 174.43 1whp s THR 27 N -2.49 0.45 0.24 1.71 -4.23 -1.26 -4.54 115.64 105.52 1whp s THR 27 Ca 0.17 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 1whp s THR 27 Cb -0.05 -0.42 -0.09 0.00 1.34 0.00 0.00 72.50 73.28 1whp s THR 27 CO 0.12 -0.02 1.09 -0.04 -0.54 0.00 0.00 174.62 175.23 1whp s MET 28 N -0.53 4.64 -0.17 3.99 -1.94 -1.26 0.81 119.30 124.84 1whp s MET 28 Ca -0.01 1.75 0.13 0.00 -1.71 0.00 0.00 55.69 55.84 1whp s MET 28 Cb -0.04 -3.22 -0.20 0.00 2.01 0.00 0.00 34.83 33.38 1whp s MET 28 CO -0.00 0.19 0.02 0.00 -0.01 0.00 0.00 175.02 175.22 1whp n ALA 29 N 1.60 1.58 -3.64 3.03 0.00 0.16 -4.66 120.51 118.58 1whp n ALA 29 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 53.44 52.29 1whp n ALA 29 Cb 0.45 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1whp n ALA 29 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1whp s GLU 30 N -2.41 0.55 -0.15 0.00 2.56 -1.09 -5.00 118.70 113.16 1whp s GLU 30 Ca -0.12 0.80 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1whp s GLU 30 Cb 0.05 0.19 0.03 0.00 2.00 0.00 0.00 34.13 36.40 1whp s GLU 30 CO 0.65 -0.09 -0.11 0.08 -0.56 0.00 0.00 175.26 175.24 1whp s VAL 31 N 0.91 1.39 0.15 3.70 1.01 -1.26 -1.14 120.40 125.15 1whp s VAL 31 Ca -0.04 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1whp s VAL 31 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1whp s VAL 31 CO -0.11 0.33 0.17 -1.61 0.00 0.00 0.00 175.10 173.88 1whp s GLU 32 N 1.54 3.05 -0.04 2.72 2.02 0.89 -1.85 118.70 127.03 1whp s GLU 32 Ca 0.03 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.27 1whp s GLU 32 Cb -0.14 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.36 1whp s GLU 32 CO -0.09 0.51 -0.09 -1.17 0.02 0.00 0.00 175.26 174.44 1whp s LEU 33 N -3.03 1.60 -0.17 1.80 1.98 0.00 -1.25 118.68 119.61 1whp s LEU 33 Ca 0.32 -0.20 -0.01 0.00 -2.89 0.00 0.00 54.13 51.35 1whp s LEU 33 Cb -0.11 -0.60 -0.00 0.00 0.66 0.00 0.00 46.19 46.14 1whp s LEU 33 CO 0.25 0.02 -0.13 -0.60 -1.89 0.00 0.00 176.35 174.00 1whp s ARG 34 N 0.56 3.26 0.89 1.98 3.52 -0.21 -1.54 118.95 127.41 1whp s ARG 34 Ca -0.09 -0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 1whp s ARG 34 Cb -0.13 -2.71 0.12 0.00 -1.56 0.00 0.00 34.95 30.68 1whp s ARG 34 CO 0.01 -0.01 1.09 -1.21 -0.81 0.00 0.00 175.30 174.37 1whp s GLU 35 N 0.92 1.34 -0.03 5.12 2.02 -1.26 -2.26 118.70 124.55 1whp s GLU 35 Ca -0.03 0.87 -0.30 0.00 0.02 0.00 0.00 54.97 55.53 1whp s GLU 35 Cb -0.15 -1.82 -0.06 0.00 0.10 0.00 0.00 34.13 32.20 1whp s GLU 35 CO -0.01 -2.19 1.72 -1.58 0.02 0.00 0.00 175.26 173.21 1whp s HIS 36 N -2.92 1.86 0.00 1.61 5.65 -0.44 -2.65 115.29 118.39 1whp s HIS 36 Ca 0.63 0.06 0.00 0.00 0.25 0.00 0.00 55.06 56.00 1whp s HIS 36 Cb -0.18 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.23 1whp s HIS 36 CO 0.57 -4.21 0.00 0.41 -0.65 0.00 0.00 174.74 170.86 1whp n GLY 37 N 4.21 1.43 3.94 1.59 0.00 -1.26 -4.90 105.19 110.19 1whp n GLY 37 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1whp n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whp s SER 38 N -3.13 6.21 0.00 1.61 0.15 -1.08 -4.98 113.70 112.47 1whp s SER 38 Ca 0.00 0.50 0.15 0.00 0.70 0.00 0.00 55.95 57.31 1whp s SER 38 Cb 0.00 -1.98 -0.10 0.00 -1.71 0.00 0.00 66.02 62.23 1whp s SER 38 CO 0.00 -0.42 0.73 0.47 1.20 0.00 0.00 173.24 175.22 1whp n ASP 39 N -1.92 1.08 -4.75 5.45 9.92 -1.26 -4.80 116.55 120.26 1whp n ASP 39 Ca -0.03 -1.04 -0.39 0.00 -0.53 0.00 0.00 54.79 52.80 1whp n ASP 39 Cb 0.56 0.79 -0.05 0.00 -0.64 0.00 0.00 41.12 41.78 1whp n ASP 39 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1whp s GLU 40 N -2.22 4.44 -0.26 -1.24 2.12 -1.26 -5.06 118.70 115.21 1whp s GLU 40 Ca 0.09 0.96 -0.06 0.00 0.36 0.00 0.00 54.97 56.32 1whp s GLU 40 Cb 0.12 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 1whp s GLU 40 CO 0.54 0.33 0.05 -1.58 -0.54 0.00 0.00 175.26 174.06 1whp s TRP 41 N -0.18 3.09 0.15 5.30 0.52 -1.26 -4.25 118.94 122.31 1whp s TRP 41 Ca 0.36 -0.74 0.00 0.00 0.02 0.00 0.00 56.10 55.74 1whp s TRP 41 Cb -0.20 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 1whp s TRP 41 CO 0.21 -0.48 0.31 0.14 0.02 0.00 0.00 176.95 177.15 1whp s VAL 42 N 1.54 5.28 0.72 4.03 -7.23 -0.59 -4.90 120.40 119.25 1whp s VAL 42 Ca 0.05 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 1whp s VAL 42 Cb -0.16 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.10 1whp s VAL 42 CO 0.02 -0.05 1.09 0.00 -0.31 0.00 0.00 175.10 175.85 1whp s ALA 43 N -1.72 2.77 -0.00 1.32 0.00 -1.26 -0.82 121.76 122.05 1whp s ALA 43 Ca 0.37 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.11 1whp s ALA 43 Cb -0.12 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1whp s ALA 43 CO 0.28 -1.23 -0.20 -1.64 0.00 0.00 0.00 175.76 172.98 1whp s MET 44 N -5.29 1.54 0.16 0.00 -1.94 -0.77 -4.70 119.30 108.30 1whp s MET 44 Ca 0.58 -0.76 -0.30 0.00 -1.71 0.00 0.00 55.69 53.51 1whp s MET 44 Cb -0.12 -1.53 -0.07 0.00 2.01 0.00 0.00 34.83 35.12 1whp s MET 44 CO 0.53 0.41 1.00 0.99 -0.01 0.00 0.00 175.02 177.94 1whp s THR 45 N -0.54 4.18 -1.14 2.05 2.01 -0.99 -4.63 115.64 116.57 1whp s THR 45 Ca 0.07 1.92 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 1whp s THR 45 Cb -0.08 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1whp s THR 45 CO -0.00 0.35 1.66 -0.75 -0.69 0.00 0.00 174.62 175.19 1whp s LYS 46 N -0.42 3.54 0.60 4.92 2.20 -1.26 -2.06 119.74 127.26 1whp s LYS 46 Ca 0.46 -1.40 -0.10 0.00 -0.36 0.00 0.00 55.97 54.57 1whp s LYS 46 Cb -0.26 -5.39 0.15 0.00 -1.51 0.00 0.00 37.83 30.82 1whp s LYS 46 CO 0.32 -2.52 0.47 0.41 -0.36 0.00 0.00 175.35 173.67 1whp n GLY 47 N 6.17 -2.97 3.62 5.54 0.00 0.27 -4.95 105.19 112.88 1whp n GLY 47 Ca 0.41 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 1whp n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1whp s GLU 48 N -4.09 2.24 0.00 1.61 0.41 -1.26 -3.83 118.70 113.78 1whp s GLU 48 Ca 0.32 -1.24 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 1whp s GLU 48 Cb -0.04 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 1whp s GLU 48 CO 0.25 0.43 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 1whp n GLY 49 N -0.22 0.44 0.00 -1.39 0.00 -1.26 -4.05 105.19 98.71 1whp n GLY 49 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1whp n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whp n GLY 50 N -1.73 1.51 3.70 -0.02 0.00 -1.26 -5.07 105.19 102.32 1whp n GLY 50 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1whp n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1whp s VAL 51 N -2.00 5.35 -0.28 1.61 1.01 -1.25 -3.87 120.40 120.97 1whp s VAL 51 Ca 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1whp s VAL 51 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1whp s VAL 51 CO 0.00 0.38 0.03 0.26 0.00 0.00 0.00 175.10 175.78 1whp s TRP 52 N 0.68 3.12 0.36 5.22 0.52 -0.10 0.97 118.94 129.71 1whp s TRP 52 Ca 0.11 -1.17 0.05 0.00 0.02 0.00 0.00 56.10 55.11 1whp s TRP 52 Cb -0.13 -2.19 0.05 0.00 -1.15 0.00 0.00 33.47 30.05 1whp s TRP 52 CO 0.02 -0.63 0.40 0.25 0.02 0.00 0.00 176.95 177.02 1whp n THR 53 N 4.80 0.00 -3.52 2.01 -2.24 -0.88 -1.73 114.28 112.72 1whp n THR 53 Ca -0.15 -1.29 -0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1whp n THR 53 Cb 0.48 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1whp n THR 53 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1whp s PHE 54 N -1.46 -0.89 -0.52 4.78 5.36 -0.70 -2.35 117.98 122.21 1whp s PHE 54 Ca 0.31 1.58 -0.12 0.00 -0.96 0.00 0.00 56.93 57.74 1whp s PHE 54 Cb -0.02 0.53 0.13 0.00 -0.34 0.00 0.00 43.02 43.32 1whp s PHE 54 CO 0.19 -0.44 0.43 -0.51 -1.46 0.00 0.00 175.22 173.43 1whp s ASP 55 N 2.41 5.92 0.16 6.13 1.11 -1.26 -2.32 116.67 128.82 1whp s ASP 55 Ca -0.05 -1.92 -0.25 0.00 0.18 0.00 0.00 52.55 50.51 1whp s ASP 55 Cb -0.07 -2.09 -0.08 0.00 1.07 0.00 0.00 42.92 41.74 1whp s ASP 55 CO -0.18 -0.75 0.77 -0.55 1.18 0.00 0.00 175.17 175.65 1whp s SER 56 N 2.96 7.38 0.00 0.27 0.15 0.96 -4.96 113.70 120.46 1whp s SER 56 Ca 0.05 1.63 0.28 0.00 0.70 0.00 0.00 55.95 58.61 1whp s SER 56 Cb -0.27 -2.49 1.45 0.00 -1.71 0.00 0.00 66.02 63.00 1whp s SER 56 CO 0.00 0.20 1.96 -0.62 1.20 0.00 0.00 173.24 175.98 1whp n GLU 57 N 1.66 1.24 -4.21 5.44 4.71 -1.26 -4.70 120.64 123.51 1whp n GLU 57 Ca -0.06 -0.35 -0.12 0.00 -0.01 0.00 0.00 57.16 56.62 1whp n GLU 57 Cb 0.49 -1.45 -0.10 0.00 -1.01 0.00 0.00 31.44 29.37 1whp n GLU 57 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1whp s GLU 58 N -1.98 1.08 1.07 3.49 2.02 -1.26 -5.13 118.70 117.99 1whp s GLU 58 Ca 0.41 -1.53 -0.12 0.00 0.02 0.00 0.00 54.97 53.74 1whp s GLU 58 Cb 0.20 -0.04 0.23 0.00 0.10 0.00 0.00 34.13 34.62 1whp s GLU 58 CO 0.33 -0.21 1.06 -2.14 0.02 0.00 0.00 175.26 174.31 1whp s PRO 59 N -3.99 -0.19 -0.10 0.39 0.02 -1.26 -4.58 135.00 125.28 1whp s PRO 59 Ca 0.26 0.71 -0.03 0.00 0.02 0.00 0.00 61.00 61.96 1whp s PRO 59 Cb 0.07 -1.65 -0.03 0.00 0.02 0.00 0.00 34.50 32.91 1whp s PRO 59 CO 0.05 -3.20 0.00 -0.51 -0.33 0.00 0.00 177.00 173.01 1whp s LEU 60 N -6.82 3.55 -0.38 -5.54 1.43 0.19 -4.94 118.68 106.17 1whp s LEU 60 Ca 0.67 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.72 1whp s LEU 60 Cb -0.22 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1whp s LEU 60 CO 0.61 0.33 0.28 -1.58 0.23 0.00 0.00 176.35 176.21 1whp s GLN 61 N -0.58 3.20 0.83 1.70 2.00 -1.26 -5.02 119.66 120.53 1whp s GLN 61 Ca 0.10 -0.85 -0.11 0.00 -2.00 0.00 0.00 55.36 52.50 1whp s GLN 61 Cb -0.12 -3.91 0.13 0.00 0.80 0.00 0.00 33.01 29.92 1whp s GLN 61 CO 0.02 -0.62 1.17 0.20 -0.50 0.00 0.00 175.29 175.56 1whp s GLY 62 N 1.70 1.72 0.63 2.59 0.00 -1.26 -1.33 107.32 111.37 1whp s GLY 62 Ca 0.06 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 1whp s GLY 62 CO 0.10 -0.50 1.08 -4.14 0.00 0.00 0.00 173.10 169.64 1whp s PRO 63 N -5.56 3.08 -0.02 2.90 0.02 -1.26 -4.59 135.00 129.57 1whp s PRO 63 Ca 0.67 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.90 1whp s PRO 63 Cb -0.07 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1whp s PRO 63 CO 0.49 -1.01 0.20 -0.06 -0.33 0.00 0.00 177.00 176.29 1whp s PHE 64 N -2.45 3.57 -0.15 6.54 0.08 0.31 -3.40 117.98 122.48 1whp s PHE 64 Ca 0.64 0.44 -0.03 0.00 0.12 0.00 0.00 56.93 58.11 1whp s PHE 64 Cb -0.18 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1whp s PHE 64 CO 0.40 0.65 -0.05 -0.80 -0.10 0.00 0.00 175.22 175.32 1whp s ASN 65 N -1.73 4.72 0.08 1.36 0.01 -0.96 -0.64 114.94 117.78 1whp s ASN 65 Ca 0.25 -0.13 0.10 0.00 -0.71 0.00 0.00 52.86 52.37 1whp s ASN 65 Cb -0.13 -1.72 -0.03 0.00 0.41 0.00 0.00 41.25 39.78 1whp s ASN 65 CO 0.16 0.19 -0.26 -0.36 -1.51 0.00 0.00 177.10 175.32 1whp s PHE 66 N 0.25 2.23 -0.01 2.20 0.40 0.13 -1.04 117.98 122.14 1whp s PHE 66 Ca -0.03 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1whp s PHE 66 Cb -0.14 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1whp s PHE 66 CO 0.03 0.20 0.01 0.50 0.70 0.00 0.00 175.22 176.67 1whp s ARG 67 N -1.57 0.01 0.05 0.44 3.52 -0.38 -0.78 118.95 120.24 1whp s ARG 67 Ca 0.12 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1whp s ARG 67 Cb -0.10 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 1whp s ARG 67 CO 0.04 -0.08 -0.02 -0.59 -0.81 0.00 0.00 175.30 173.84 1whp s PHE 68 N 0.53 0.52 -0.15 5.12 -0.12 -0.89 -0.07 117.98 122.91 1whp s PHE 68 Ca -0.04 -1.06 -0.00 0.00 -0.05 0.00 0.00 56.93 55.77 1whp s PHE 68 Cb -0.07 -0.38 -0.00 0.00 -0.63 0.00 0.00 43.02 41.94 1whp s PHE 68 CO -0.01 -0.39 -0.14 -1.17 -0.05 0.00 0.00 175.22 173.45 1whp s LEU 69 N -2.92 2.54 0.45 -1.99 2.96 -0.29 -2.52 118.68 116.90 1whp s LEU 69 Ca 0.07 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1whp s LEU 69 Cb 0.08 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1whp s LEU 69 CO -0.10 0.09 0.64 0.42 -1.32 0.00 0.00 176.35 176.09 1whp s THR 70 N 0.77 3.66 -0.13 3.68 -4.23 0.13 0.39 115.64 119.91 1whp s THR 70 Ca -0.06 -0.67 0.28 0.00 -1.18 0.00 0.00 61.69 60.06 1whp s THR 70 Cb -0.15 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.65 1whp s THR 70 CO 0.01 -0.20 1.84 -0.33 -0.54 0.00 0.00 174.62 175.39 1whp h GLU 71 N 0.45 0.00 -0.32 3.99 5.08 0.14 -1.12 114.58 122.80 1whp h GLU 71 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1whp h GLU 71 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1whp h GLU 71 CO 0.54 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.18 1whp n LYS 72 N -2.51 2.11 -0.51 2.33 5.02 -1.26 -4.91 118.16 118.42 1whp n LYS 72 Ca 0.00 -1.68 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 1whp n LYS 72 Cb 0.16 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1whp n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whp n GLY 73 N 1.30 0.74 3.66 0.72 0.00 -0.42 -5.03 105.19 106.16 1whp n GLY 73 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1whp n GLY 73 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1whp s MET 74 N -0.49 4.23 -0.28 1.61 -1.94 -1.26 -4.79 119.30 116.38 1whp s MET 74 Ca 0.00 1.28 0.03 0.00 -1.71 0.00 0.00 55.69 55.28 1whp s MET 74 Cb 0.00 -3.65 0.08 0.00 2.01 0.00 0.00 34.83 33.27 1whp s MET 74 CO 0.00 -0.64 -0.03 0.21 -0.01 0.00 0.00 175.02 174.55 1whp s LYS 75 N 3.20 1.73 0.31 2.03 2.20 -1.26 0.21 119.74 128.16 1whp s LYS 75 Ca 0.43 -1.42 0.11 0.00 -0.36 0.00 0.00 55.97 54.73 1whp s LYS 75 Cb -0.15 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1whp s LYS 75 CO 0.07 -0.73 -0.14 -0.80 -0.36 0.00 0.00 175.35 173.39 1whp s ASN 76 N 1.14 3.60 0.02 1.43 -0.87 -1.05 -4.99 114.94 114.22 1whp s ASN 76 Ca -0.00 -1.11 0.07 0.00 -1.57 0.00 0.00 52.86 50.24 1whp s ASN 76 Cb -0.19 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.25 40.70 1whp s ASN 76 CO -0.08 -0.09 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.47 1whp s VAL 77 N -2.59 1.59 -0.14 1.60 1.01 -1.26 -2.10 120.40 118.51 1whp s VAL 77 Ca 0.31 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1whp s VAL 77 Cb -0.01 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1whp s VAL 77 CO 0.15 0.31 0.03 -0.36 0.00 0.00 0.00 175.10 175.24 1whp s PHE 78 N -0.64 0.71 0.04 5.22 0.08 0.04 -5.01 117.98 118.43 1whp s PHE 78 Ca 0.07 -0.47 -0.17 0.00 0.12 0.00 0.00 56.93 56.48 1whp s PHE 78 Cb -0.08 -0.86 -0.06 0.00 -0.57 0.00 0.00 43.02 41.44 1whp s PHE 78 CO 0.01 -0.47 0.50 -0.51 -0.10 0.00 0.00 175.22 174.64 1whp s ASP 79 N 1.96 6.94 -1.16 1.36 1.01 -1.26 -0.70 116.67 124.83 1whp s ASP 79 Ca 0.02 1.12 -0.25 0.00 0.71 0.00 0.00 52.55 54.15 1whp s ASP 79 Cb -0.15 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.48 1whp s ASP 79 CO -0.07 0.29 0.77 0.47 0.21 0.00 0.00 175.17 176.84 1whp n ASP 80 N 1.72 -5.01 -0.01 0.27 9.92 -1.04 -4.90 116.55 117.50 1whp n ASP 80 Ca -0.12 -1.10 0.11 0.00 -0.53 0.00 0.00 54.79 53.15 1whp n ASP 80 Cb 0.51 -2.88 -0.16 0.00 -0.64 0.00 0.00 41.12 37.96 1whp n ASP 80 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1whp n VAL 81 N -4.44 0.00 -4.01 2.53 0.24 0.19 -4.75 118.33 108.08 1whp n VAL 81 Ca -0.10 -0.39 -0.32 0.00 -2.04 0.00 0.00 64.34 61.50 1whp n VAL 81 Cb 0.58 0.21 -0.15 0.00 -1.47 0.00 0.00 33.84 33.02 1whp n VAL 81 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1whp s VAL 82 N -3.40 2.33 1.15 3.34 1.01 -1.21 -4.74 120.40 118.88 1whp s VAL 82 Ca -0.05 -2.20 -0.12 0.00 0.00 0.00 0.00 61.98 59.61 1whp s VAL 82 Cb 0.14 -2.66 0.28 0.00 0.00 0.00 0.00 36.38 34.14 1whp s VAL 82 CO 0.90 -0.50 1.04 -2.16 0.00 0.00 0.00 175.10 174.37 1whp s PRO 83 N 0.95 -0.80 0.24 2.72 0.04 -1.26 0.11 135.00 137.01 1whp s PRO 83 Ca 0.07 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 1whp s PRO 83 Cb -0.19 -1.56 0.28 0.00 0.04 0.00 0.00 34.50 33.06 1whp s PRO 83 CO -0.07 -3.67 1.74 1.49 0.04 0.00 0.00 177.00 176.53 1whp h GLU 84 N -2.59 0.88 -2.51 4.56 4.81 -1.91 -3.06 114.58 114.76 1whp h GLU 84 Ca -0.60 -0.23 -0.78 0.00 -0.13 0.00 0.00 59.36 57.62 1whp h GLU 84 Cb 1.33 -0.10 -0.21 0.00 0.63 0.00 0.00 28.75 30.40 1whp h GLU 84 CO 0.49 0.85 1.61 1.63 -0.73 0.00 0.00 179.01 182.86 1whp n LYS 85 N -4.22 4.96 -2.54 1.92 5.02 -1.26 -4.83 118.16 117.21 1whp n LYS 85 Ca 0.03 -4.13 -0.33 0.00 -2.02 0.00 0.00 58.31 51.86 1whp n LYS 85 Cb 0.30 -2.56 -0.04 0.00 -0.02 0.00 0.00 35.03 32.70 1whp n LYS 85 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1whp s TYR 86 N -2.74 3.22 -0.05 2.13 -0.85 -1.16 -5.05 117.35 112.85 1whp s TYR 86 Ca 0.44 1.55 0.03 0.00 -0.52 0.00 0.00 57.07 58.57 1whp s TYR 86 Cb 0.17 -2.91 -0.03 0.00 0.38 0.00 0.00 41.96 39.57 1whp s TYR 86 CO -0.09 -0.50 -0.12 0.95 -1.52 0.00 0.00 175.55 174.28 1whp s THR 87 N -2.27 3.28 0.52 -3.49 -4.23 -1.26 -5.09 115.64 103.09 1whp s THR 87 Ca 0.63 -0.66 -0.22 0.00 -1.18 0.00 0.00 61.69 60.27 1whp s THR 87 Cb -0.12 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 71.35 1whp s THR 87 CO 0.22 0.58 1.24 -0.63 -0.54 0.00 0.00 174.62 175.50 1whp s ILE 88 N -0.77 2.64 0.00 2.99 1.09 -1.26 -2.75 121.20 123.14 1whp s ILE 88 Ca 0.12 0.46 0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1whp s ILE 88 Cb -0.11 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 1whp s ILE 88 CO 0.01 -0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.44 1whp n GLY 89 N 0.55 3.03 3.77 6.18 0.00 0.50 -4.98 105.19 114.23 1whp n GLY 89 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1whp n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whp s ALA 90 N -1.34 3.35 -0.21 4.61 0.00 -1.11 -4.75 121.76 122.30 1whp s ALA 90 Ca 0.00 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 1whp s ALA 90 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1whp s ALA 90 CO 0.00 -0.47 0.06 0.99 0.00 0.00 0.00 175.76 176.34 1whp s THR 91 N -1.24 4.53 -0.20 0.00 2.01 -1.26 -2.01 115.64 117.46 1whp s THR 91 Ca 0.51 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1whp s THR 91 Cb -0.34 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 1whp s THR 91 CO 0.45 0.40 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.43 1whp s TYR 92 N 0.97 2.97 -0.07 4.92 1.51 0.61 -4.92 117.35 123.34 1whp s TYR 92 Ca 0.04 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1whp s TYR 92 Cb -0.14 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1whp s TYR 92 CO 0.03 -0.37 -0.05 0.00 -1.11 0.00 0.00 175.55 174.04 1whp s ALA 93 N 1.11 0.91 -2.00 3.71 0.00 -1.26 -0.46 121.76 123.77 1whp s ALA 93 Ca 0.02 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.79 1whp s ALA 93 Cb -0.15 -0.63 0.30 0.00 0.00 0.00 0.00 23.12 22.65 1whp s ALA 93 CO -0.00 -0.19 0.77 -0.35 0.00 0.00 0.00 175.76 175.99