#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct3 s SER 2 N 0.00 1.10 0.17 1.61 0.01 -1.26 -5.15 113.70 110.18 2ct3 s SER 2 Ca 0.00 -0.35 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 2ct3 s SER 2 Cb 0.00 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.22 2ct3 s SER 2 CO 0.00 -0.01 0.84 -0.94 0.41 0.00 0.00 173.24 173.54 2ct3 s SER 3 N -0.86 -0.27 0.00 2.44 1.04 -1.26 -5.16 113.70 109.63 2ct3 s SER 3 Ca -0.01 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2ct3 s SER 3 Cb -0.06 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2ct3 s SER 3 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2ct3 n GLY 4 N -0.43 1.44 3.50 7.32 0.00 -1.26 -5.14 105.19 110.62 2ct3 n GLY 4 Ca -0.07 0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2ct3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct3 s SER 5 N 2.00 4.80 0.09 1.61 0.01 -1.26 -5.10 113.70 115.85 2ct3 s SER 5 Ca 0.00 -0.13 -0.09 0.00 1.31 0.00 0.00 55.95 57.05 2ct3 s SER 5 Cb 0.00 -1.78 -0.00 0.00 0.21 0.00 0.00 66.02 64.45 2ct3 s SER 5 CO 0.00 0.17 0.19 -0.44 0.41 0.00 0.00 173.24 173.57 2ct3 s SER 6 N 0.35 0.12 0.00 2.44 0.01 -1.26 -5.15 113.70 110.21 2ct3 s SER 6 Ca -0.04 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2ct3 s SER 6 Cb -0.14 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2ct3 s SER 6 CO 0.03 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2ct3 n GLY 7 N -0.06 3.59 3.78 3.44 0.00 -1.26 -4.96 105.19 109.71 2ct3 n GLY 7 Ca -0.15 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 2ct3 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ct3 s THR 8 N -1.13 4.67 0.09 2.61 2.01 0.12 -4.79 115.64 119.22 2ct3 s THR 8 Ca 0.00 1.43 -0.31 0.00 0.31 0.00 0.00 61.69 63.12 2ct3 s THR 8 Cb 0.00 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 2ct3 s THR 8 CO 0.00 0.48 1.38 -2.16 -0.69 0.00 0.00 174.62 173.63 2ct3 s PRO 9 N -0.73 4.32 0.32 4.92 0.04 -1.26 -1.11 135.00 141.51 2ct3 s PRO 9 Ca 0.33 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.45 2ct3 s PRO 9 Cb -0.20 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 2ct3 s PRO 9 CO 0.21 -0.45 0.19 0.71 0.04 0.00 0.00 177.00 177.71 2ct3 s TYR 10 N 1.34 1.66 -0.09 0.56 1.51 0.28 -2.94 117.35 119.67 2ct3 s TYR 10 Ca 0.64 -1.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.19 2ct3 s TYR 10 Cb -0.35 -0.84 0.04 0.00 -0.11 0.00 0.00 41.96 40.70 2ct3 s TYR 10 CO 0.30 -0.62 0.20 0.50 -1.11 0.00 0.00 175.55 174.82 2ct3 s ARG 11 N -3.69 0.17 -0.55 -0.62 3.52 -0.48 -0.17 118.95 117.12 2ct3 s ARG 11 Ca 0.35 0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 56.11 2ct3 s ARG 11 Cb 0.04 -0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.34 2ct3 s ARG 11 CO 0.20 -0.15 1.20 0.00 -0.81 0.00 0.00 175.30 175.75 2ct3 s ALA 12 N 1.08 3.02 0.42 6.12 0.00 0.49 -0.78 121.76 132.11 2ct3 s ALA 12 Ca -0.08 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 51.32 2ct3 s ALA 12 Cb -0.10 -4.01 1.00 0.00 0.00 0.00 0.00 23.12 20.01 2ct3 s ALA 12 CO -0.06 -2.59 1.96 0.52 0.00 0.00 0.00 175.76 175.59 2ct3 h MET 13 N 9.60 0.00 -3.63 0.00 0.00 0.60 -1.01 114.93 120.49 2ct3 h MET 13 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 59.70 59.27 2ct3 h MET 13 Cb 1.06 0.00 -0.24 0.00 0.00 0.00 0.00 31.60 32.42 2ct3 h MET 13 CO 1.17 0.22 -0.61 0.71 0.00 0.00 0.00 176.91 178.40 2ct3 s TYR 14 N -4.45 0.02 0.41 -0.22 2.02 -1.06 -4.63 117.35 109.43 2ct3 s TYR 14 Ca -0.03 -0.02 -0.26 0.00 -0.37 0.00 0.00 57.07 56.38 2ct3 s TYR 14 Cb 0.15 -0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.59 2ct3 s TYR 14 CO 0.69 -0.13 1.29 -1.14 -1.57 0.00 0.00 175.55 174.69 2ct3 s GLN 15 N -0.60 3.95 0.02 -0.62 0.74 -1.26 -4.37 119.66 117.52 2ct3 s GLN 15 Ca -0.07 2.12 0.06 0.00 0.05 0.00 0.00 55.36 57.53 2ct3 s GLN 15 Cb -0.04 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.30 2ct3 s GLN 15 CO 0.00 -0.49 -0.18 -0.47 -0.55 0.00 0.00 175.29 173.60 2ct3 s TYR 16 N -1.28 2.57 -0.66 1.67 5.04 0.66 -4.89 117.35 120.46 2ct3 s TYR 16 Ca 0.57 -0.25 -0.00 0.00 -2.44 0.00 0.00 57.07 54.95 2ct3 s TYR 16 Cb -0.37 -1.50 0.17 0.00 0.35 0.00 0.00 41.96 40.60 2ct3 s TYR 16 CO 0.48 0.21 0.47 1.03 -1.34 0.00 0.00 175.55 176.39 2ct3 s ARG 17 N -1.21 2.55 -0.11 4.97 0.52 -1.26 -3.42 118.95 120.99 2ct3 s ARG 17 Ca 0.14 -2.79 -0.29 0.00 -0.52 0.00 0.00 55.73 52.26 2ct3 s ARG 17 Cb -0.10 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 2ct3 s ARG 17 CO 0.04 -1.19 1.53 -1.25 0.02 0.00 0.00 175.30 174.45 2ct3 s PRO 18 N -0.51 4.14 0.34 3.54 0.04 -1.26 -4.90 135.00 136.39 2ct3 s PRO 18 Ca 0.20 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.25 2ct3 s PRO 18 Cb -0.17 -3.93 0.62 0.00 0.04 0.00 0.00 34.50 31.06 2ct3 s PRO 18 CO -0.06 -0.87 1.88 1.96 0.04 0.00 0.00 177.00 179.95 2ct3 h GLN 19 N 9.31 0.50 -5.92 4.56 4.20 -1.97 -3.44 115.11 122.35 2ct3 h GLN 19 Ca -0.35 -0.11 -0.59 0.00 0.06 0.00 0.00 58.65 57.66 2ct3 h GLN 19 Cb 1.15 -0.07 -0.11 0.00 0.30 0.00 0.00 27.48 28.75 2ct3 h GLN 19 CO 0.97 0.54 -0.60 0.54 -0.67 0.00 0.00 178.83 179.60 2ct3 s ASN 20 N -6.75 4.11 0.15 1.46 4.22 -1.26 -5.05 114.94 111.82 2ct3 s ASN 20 Ca -0.07 -1.10 -0.10 0.00 -2.14 0.00 0.00 52.86 49.45 2ct3 s ASN 20 Cb 0.15 -0.47 -0.01 0.00 1.28 0.00 0.00 41.25 42.20 2ct3 s ASN 20 CO 0.76 -0.32 1.50 1.05 -2.04 0.00 0.00 177.10 178.05 2ct3 h GLU 21 N 1.77 0.93 -0.92 3.55 4.11 -2.02 -3.18 114.58 118.81 2ct3 h GLU 21 Ca -0.43 -0.47 0.21 0.00 0.07 0.00 0.00 59.36 58.74 2ct3 h GLU 21 Cb 1.25 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.33 2ct3 h GLU 21 CO 0.70 1.12 -0.12 -0.44 0.07 0.00 0.00 179.01 180.35 2ct3 h ASP 22 N 0.77 -0.67 -3.86 3.06 5.19 -1.96 -3.39 116.42 115.55 2ct3 h ASP 22 Ca 0.07 0.27 -0.51 0.00 -0.62 0.00 0.00 57.03 56.24 2ct3 h ASP 22 Cb 0.93 0.51 0.04 0.00 0.18 0.00 0.00 39.33 40.99 2ct3 h ASP 22 CO 0.09 -0.30 0.52 -1.61 -3.12 0.00 0.00 179.24 174.82 2ct3 s GLU 23 N -6.16 4.43 -0.15 3.56 2.02 -1.20 -3.48 118.70 117.72 2ct3 s GLU 23 Ca -0.14 1.91 -0.23 0.00 0.02 0.00 0.00 54.97 56.53 2ct3 s GLU 23 Cb 0.26 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 2ct3 s GLU 23 CO 0.77 -0.01 0.69 -1.17 0.02 0.00 0.00 175.26 175.56 2ct3 s LEU 24 N -1.80 4.21 0.35 1.80 2.96 -1.19 -4.85 118.68 120.16 2ct3 s LEU 24 Ca 0.49 1.02 -0.26 0.00 -0.22 0.00 0.00 54.13 55.15 2ct3 s LEU 24 Cb -0.33 -3.02 -0.09 0.00 0.50 0.00 0.00 46.19 43.24 2ct3 s LEU 24 CO 0.43 -0.25 1.09 -0.70 -1.32 0.00 0.00 176.35 175.61 2ct3 s GLU 25 N 1.59 4.34 0.19 1.98 2.12 -1.26 -4.76 118.70 122.89 2ct3 s GLU 25 Ca 0.34 1.70 0.09 0.00 0.36 0.00 0.00 54.97 57.46 2ct3 s GLU 25 Cb -0.16 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2ct3 s GLU 25 CO 0.13 -0.03 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.12 2ct3 s LEU 26 N -2.12 2.47 -0.03 2.70 1.43 -1.22 -4.92 118.68 116.99 2ct3 s LEU 26 Ca 0.52 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2ct3 s LEU 26 Cb -0.28 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2ct3 s LEU 26 CO 0.35 -0.01 -0.02 -0.60 0.23 0.00 0.00 176.35 176.30 2ct3 s ARG 27 N -2.95 0.48 -0.46 1.70 6.06 -1.26 -0.25 118.95 122.27 2ct3 s ARG 27 Ca 0.19 -0.04 -0.35 0.00 -2.50 0.00 0.00 55.73 53.04 2ct3 s ARG 27 Cb -0.05 -0.56 -0.13 0.00 0.06 0.00 0.00 34.95 34.27 2ct3 s ARG 27 CO 0.08 -0.06 2.27 -1.91 -2.50 0.00 0.00 175.30 173.18 2ct3 n GLU 28 N 3.83 0.83 -0.44 5.12 2.13 -1.26 -1.09 120.64 129.76 2ct3 n GLU 28 Ca -0.23 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2ct3 n GLU 28 Cb 0.52 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.88 2ct3 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ct3 n GLY 29 N 6.59 1.22 3.26 8.31 0.00 -0.38 -4.93 105.19 119.25 2ct3 n GLY 29 Ca 0.45 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 2ct3 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ct3 s ASP 30 N -2.19 2.59 0.49 1.61 1.11 -0.25 -4.95 116.67 115.07 2ct3 s ASP 30 Ca 0.00 -0.51 -0.19 0.00 0.18 0.00 0.00 52.55 52.03 2ct3 s ASP 30 Cb 0.00 -0.23 -0.09 0.00 1.07 0.00 0.00 42.92 43.67 2ct3 s ASP 30 CO 0.00 0.19 0.99 -0.13 1.18 0.00 0.00 175.17 177.40 2ct3 s ARG 31 N -1.08 3.97 -0.01 8.23 1.81 -1.26 -0.38 118.95 130.23 2ct3 s ARG 31 Ca 0.08 1.09 0.00 0.00 -1.72 0.00 0.00 55.73 55.19 2ct3 s ARG 31 Cb -0.09 -2.14 0.01 0.00 -0.45 0.00 0.00 34.95 32.29 2ct3 s ARG 31 CO 0.01 -0.25 -0.00 0.08 -0.68 0.00 0.00 175.30 174.46 2ct3 s VAL 32 N -2.36 0.08 -1.05 3.52 1.01 0.76 -2.98 120.40 119.38 2ct3 s VAL 32 Ca 0.62 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 2ct3 s VAL 32 Cb -0.11 -0.13 0.26 0.00 0.00 0.00 0.00 36.38 36.41 2ct3 s VAL 32 CO 0.24 0.07 1.02 -0.62 0.00 0.00 0.00 175.10 175.80 2ct3 s ASP 33 N 0.43 6.98 0.42 3.32 2.15 -0.36 0.10 116.67 129.72 2ct3 s ASP 33 Ca -0.04 -3.62 -0.26 0.00 0.43 0.00 0.00 52.55 49.06 2ct3 s ASP 33 Cb -0.06 -2.13 -0.09 0.00 -0.30 0.00 0.00 42.92 40.34 2ct3 s ASP 33 CO -0.01 -0.26 1.38 -0.69 -0.17 0.00 0.00 175.17 175.42 2ct3 s VAL 34 N -1.27 2.30 0.02 1.11 1.01 -0.26 -1.99 120.40 121.32 2ct3 s VAL 34 Ca 0.30 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 2ct3 s VAL 34 Cb -0.09 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2ct3 s VAL 34 CO -0.09 0.04 -0.05 0.23 0.00 0.00 0.00 175.10 175.23 2ct3 n MET 35 N 0.02 0.07 -4.39 2.72 2.81 0.70 0.12 117.12 119.17 2ct3 n MET 35 Ca 0.04 0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.66 2ct3 n MET 35 Cb 0.42 -0.62 -0.12 0.00 -0.71 0.00 0.00 33.22 32.19 2ct3 n MET 35 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2ct3 s GLN 36 N -2.10 1.78 -0.14 0.03 2.00 -0.16 -4.90 119.66 116.16 2ct3 s GLN 36 Ca -0.04 -1.17 0.01 0.00 -2.00 0.00 0.00 55.36 52.16 2ct3 s GLN 36 Cb 0.01 -2.09 -0.00 0.00 0.80 0.00 0.00 33.01 31.73 2ct3 s GLN 36 CO 0.06 0.49 -0.17 -0.65 -0.50 0.00 0.00 175.29 174.52 2ct3 s GLN 37 N -1.99 3.21 0.47 1.67 -0.21 -1.26 -1.41 119.66 120.14 2ct3 s GLN 37 Ca 0.17 -0.77 -0.05 0.00 0.02 0.00 0.00 55.36 54.73 2ct3 s GLN 37 Cb -0.10 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 2ct3 s GLN 37 CO 0.08 0.08 0.77 0.00 -2.12 0.00 0.00 175.29 174.11 2ct3 h ASP 39 N 0.28 0.00 -0.18 0.00 2.03 -2.00 -3.32 116.42 113.23 2ct3 h ASP 39 Ca -0.47 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.77 2ct3 h ASP 39 Cb 1.20 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.69 2ct3 h ASP 39 CO 0.62 0.84 -0.06 0.44 -1.03 0.00 0.00 179.24 180.05 2ct3 h ASP 40 N 0.00 0.48 0.00 4.15 5.19 -2.06 -3.46 116.42 120.72 2ct3 h ASP 40 Ca -0.11 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2ct3 h ASP 40 Cb 1.74 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.13 2ct3 h ASP 40 CO 0.09 0.59 0.00 0.61 -3.12 0.00 0.00 179.24 177.41 2ct3 n GLY 41 N -0.77 1.09 3.45 2.75 0.00 -1.25 -5.15 105.19 105.31 2ct3 n GLY 41 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2ct3 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ct3 s TRP 42 N -1.09 2.42 -0.04 1.61 0.52 -1.26 -3.22 118.94 117.88 2ct3 s TRP 42 Ca 0.00 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.86 2ct3 s TRP 42 Cb 0.00 -1.28 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 2ct3 s TRP 42 CO 0.00 0.39 -0.23 -0.06 0.02 0.00 0.00 176.95 177.07 2ct3 s PHE 43 N -1.20 2.44 -0.08 -1.98 0.08 -0.39 -0.85 117.98 116.00 2ct3 s PHE 43 Ca 0.17 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 56.81 2ct3 s PHE 43 Cb -0.10 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2ct3 s PHE 43 CO 0.09 -0.04 -0.23 0.08 -0.10 0.00 0.00 175.22 175.02 2ct3 s VAL 44 N -0.51 2.19 0.00 -0.44 1.01 -0.50 -1.58 120.40 120.57 2ct3 s VAL 44 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2ct3 s VAL 44 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2ct3 s VAL 44 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2ct3 n GLY 45 N 3.22 1.36 3.00 4.51 0.00 -1.08 -0.21 105.19 115.99 2ct3 n GLY 45 Ca -0.18 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2ct3 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ct3 s VAL 46 N 1.27 0.13 0.26 1.61 1.01 -0.84 -2.49 120.40 121.35 2ct3 s VAL 46 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 2ct3 s VAL 46 Cb 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 2ct3 s VAL 46 CO 0.00 -0.56 0.67 -0.55 0.00 0.00 0.00 175.10 174.65 2ct3 s SER 47 N -1.65 6.79 -0.21 3.32 0.15 -0.65 -1.22 113.70 120.23 2ct3 s SER 47 Ca -0.13 1.19 0.12 0.00 0.70 0.00 0.00 55.95 57.83 2ct3 s SER 47 Cb -0.08 -2.33 0.70 0.00 -1.71 0.00 0.00 66.02 62.60 2ct3 s SER 47 CO -0.02 -0.10 1.59 0.54 1.20 0.00 0.00 173.24 176.45 2ct3 n ARG 48 N 0.01 4.26 0.00 5.44 5.12 -1.16 -2.57 116.66 127.76 2ct3 n ARG 48 Ca 0.01 -2.71 0.00 0.00 -1.93 0.00 0.00 57.85 53.22 2ct3 n ARG 48 Cb 0.52 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 2ct3 n ARG 48 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2ct3 n ARG 49 N 0.46 0.00 0.00 5.56 0.63 -1.26 -4.83 116.66 117.22 2ct3 n ARG 49 Ca 0.25 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.26 2ct3 n ARG 49 Cb 1.09 -0.51 -0.04 0.00 0.45 0.00 0.00 32.46 33.45 2ct3 n ARG 49 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2ct3 n THR 50 N -2.43 0.00 -3.29 5.15 -2.24 -1.26 -4.98 114.28 105.23 2ct3 n THR 50 Ca 0.00 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 2ct3 n THR 50 Cb 0.27 1.10 0.02 0.00 -2.10 0.00 0.00 70.33 69.63 2ct3 n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ct3 n GLN 51 N -0.72 -4.58 -3.96 -0.78 3.00 -1.06 -4.97 117.38 104.31 2ct3 n GLN 51 Ca 0.05 0.70 -0.27 0.00 -0.01 0.00 0.00 57.00 57.47 2ct3 n GLN 51 Cb 0.30 -5.52 -0.04 0.00 0.00 0.00 0.00 30.24 24.99 2ct3 n GLN 51 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2ct3 s LYS 52 N -5.97 3.35 -0.07 -1.09 -0.14 -1.26 -4.84 119.74 109.73 2ct3 s LYS 52 Ca 0.40 -0.60 0.04 0.00 -1.36 0.00 0.00 55.97 54.45 2ct3 s LYS 52 Cb -0.20 -2.93 -0.02 0.00 -1.68 0.00 0.00 37.83 33.00 2ct3 s LYS 52 CO 0.50 0.54 -0.18 0.12 -0.76 0.00 0.00 175.35 175.56 2ct3 s PHE 53 N -1.68 2.61 -0.67 3.18 2.19 -1.26 -1.63 117.98 120.72 2ct3 s PHE 53 Ca 0.34 -0.46 0.00 0.00 0.33 0.00 0.00 56.93 57.14 2ct3 s PHE 53 Cb -0.11 -1.66 0.00 0.00 -1.31 0.00 0.00 43.02 39.94 2ct3 s PHE 53 CO 0.28 -0.04 0.00 0.41 1.83 0.00 0.00 175.22 177.69 2ct3 n GLY 54 N 2.78 -0.77 3.09 13.12 0.00 -1.04 -4.83 105.19 117.54 2ct3 n GLY 54 Ca -0.17 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 2ct3 n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ct3 s THR 55 N -3.98 1.09 0.04 2.61 -1.32 -1.23 -2.62 115.64 110.24 2ct3 s THR 55 Ca 0.00 -0.56 -0.03 0.00 -1.21 0.00 0.00 61.69 59.89 2ct3 s THR 55 Cb 0.00 -0.93 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2ct3 s THR 55 CO 0.00 0.32 0.03 0.72 -2.21 0.00 0.00 174.62 173.47 2ct3 s PHE 56 N -0.12 0.35 -0.33 9.09 -0.71 -0.62 -3.14 117.98 122.50 2ct3 s PHE 56 Ca 0.01 -0.76 -0.29 0.00 -1.04 0.00 0.00 56.93 54.85 2ct3 s PHE 56 Cb -0.07 -0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.47 2ct3 s PHE 56 CO 0.00 -0.35 1.69 -1.25 -1.34 0.00 0.00 175.22 173.97 2ct3 s PRO 57 N -3.08 3.45 0.36 1.99 0.04 -1.26 -1.27 135.00 135.23 2ct3 s PRO 57 Ca -0.01 1.35 0.18 0.00 0.04 0.00 0.00 61.00 62.56 2ct3 s PRO 57 Cb 0.02 -4.14 0.99 0.00 0.04 0.00 0.00 34.50 31.41 2ct3 s PRO 57 CO -0.07 -1.72 1.50 0.78 0.04 0.00 0.00 177.00 177.53 2ct3 h GLY 58 N 13.09 0.00 2.00 0.56 0.00 -1.84 0.73 103.07 117.61 2ct3 h GLY 58 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2ct3 h GLY 58 CO 1.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.28 2ct3 n ASN 59 N -2.22 0.23 -0.00 0.19 3.02 -1.26 -1.50 115.26 113.72 2ct3 n ASN 59 Ca -0.01 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.20 2ct3 n ASN 59 Cb 0.23 -0.61 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 2ct3 n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ct3 n TYR 60 N -1.77 0.00 -4.68 3.10 4.02 0.25 -4.94 117.16 113.14 2ct3 n TYR 60 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.61 2ct3 n TYR 60 Cb 0.13 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.17 2ct3 n TYR 60 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2ct3 s VAL 61 N -3.07 1.62 -0.08 -0.72 -7.23 -0.56 0.12 120.40 110.48 2ct3 s VAL 61 Ca 0.01 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 2ct3 s VAL 61 Cb 0.14 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.48 2ct3 s VAL 61 CO 0.81 0.00 0.44 0.00 -0.31 0.00 0.00 175.10 176.05 2ct3 s ALA 62 N -2.79 -1.13 -0.71 1.32 0.00 0.04 -4.79 121.76 113.70 2ct3 s ALA 62 Ca 0.23 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 2ct3 s ALA 62 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2ct3 s ALA 62 CO 0.12 -0.27 1.89 -1.25 0.00 0.00 0.00 175.76 176.24 2ct3 s PRO 63 N -0.74 2.61 0.46 0.00 0.04 -1.26 -1.38 135.00 134.72 2ct3 s PRO 63 Ca -0.08 0.31 0.26 0.00 0.04 0.00 0.00 61.00 61.52 2ct3 s PRO 63 Cb -0.03 -4.61 0.99 0.00 0.04 0.00 0.00 34.50 30.89 2ct3 s PRO 63 CO 0.04 -2.94 1.85 -0.24 0.04 0.00 0.00 177.00 175.75 2ct3 h VAL 64 N 7.01 0.45 -0.41 -0.36 3.04 -1.84 -3.05 116.25 121.08 2ct3 h VAL 64 Ca -0.14 -1.00 0.12 0.00 -1.01 0.00 0.00 66.70 64.66 2ct3 h VAL 64 Cb 1.11 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 32.09 2ct3 h VAL 64 CO 1.22 0.18 0.63 0.77 -1.01 0.00 0.00 177.57 179.36 2ct3 h SER 65 N 0.00 0.00 -1.56 3.17 4.64 -1.86 -3.43 113.55 114.50 2ct3 h SER 65 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2ct3 h SER 65 Cb 0.71 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.94 2ct3 h SER 65 CO 0.02 0.00 -0.88 0.61 -0.87 0.00 0.00 176.83 175.71 2ct3 n GLY 66 N -1.48 -2.55 0.22 -0.77 0.00 -1.16 -4.81 105.19 94.64 2ct3 n GLY 66 Ca 0.08 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2ct3 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct3 h PRO 67 N 0.35 0.00 -6.06 1.61 0.13 -1.94 -3.44 132.00 122.66 2ct3 h PRO 67 Ca -0.35 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.19 2ct3 h PRO 67 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2ct3 h PRO 67 CO 0.46 0.00 1.43 -1.13 -0.23 0.00 0.00 178.00 178.52 2ct3 n SER 68 N -2.74 3.31 -4.40 1.44 3.41 -1.26 -4.91 113.62 108.47 2ct3 n SER 68 Ca 0.01 0.37 -0.35 0.00 -0.26 0.00 0.00 58.87 58.64 2ct3 n SER 68 Cb 0.27 -1.51 0.08 0.00 -0.26 0.00 0.00 64.21 62.79 2ct3 n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ct3 n SER 69 N 10.59 -2.01 0.00 4.04 7.64 -1.26 -5.09 113.62 127.53 2ct3 n SER 69 Ca 0.29 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2ct3 n SER 69 Cb 0.41 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2ct3 n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64