#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dig s SER 2 N 0.00 7.43 0.45 1.61 1.04 -1.26 -5.06 113.70 117.91 2dig s SER 2 Ca 0.00 1.72 0.08 0.00 0.48 0.00 0.00 55.95 58.23 2dig s SER 2 Cb 0.00 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.57 2dig s SER 2 CO 0.00 -0.12 0.60 -0.55 0.98 0.00 0.00 173.24 174.14 2dig s SER 3 N 0.33 5.53 1.08 7.02 0.15 -1.26 -5.08 113.70 121.47 2dig s SER 3 Ca 0.48 -0.51 -0.21 0.00 0.70 0.00 0.00 55.95 56.40 2dig s SER 3 Cb -0.22 -0.49 0.01 0.00 -1.71 0.00 0.00 66.02 63.61 2dig s SER 3 CO 0.29 -0.85 -0.48 0.61 1.20 0.00 0.00 173.24 174.01 2dig n GLY 4 N -1.90 -2.67 3.29 9.45 0.00 -1.26 -4.97 105.19 107.13 2dig n GLY 4 Ca 0.09 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2dig n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dig s SER 5 N -1.58 4.03 -0.06 1.61 1.04 -1.26 -5.10 113.70 112.37 2dig s SER 5 Ca 0.50 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.56 2dig s SER 5 Cb -0.05 -1.66 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 2dig s SER 5 CO 0.66 0.03 -0.22 -0.44 0.98 0.00 0.00 173.24 174.26 2dig s SER 6 N 1.16 2.72 0.28 7.02 0.01 -1.26 -5.01 113.70 118.61 2dig s SER 6 Ca 0.01 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2dig s SER 6 Cb -0.14 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.24 2dig s SER 6 CO -0.03 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dig n GLY 7 N 3.14 0.98 3.66 3.44 0.00 -1.26 -4.96 105.19 110.19 2dig n GLY 7 Ca -0.18 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 2dig n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dig n MET 8 N 3.30 1.21 -2.17 1.61 0.00 -1.26 -4.90 117.12 114.92 2dig n MET 8 Ca 0.00 0.46 -0.42 0.00 0.00 0.00 0.00 57.70 57.73 2dig n MET 8 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 33.22 30.91 2dig n MET 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2dig s PRO 9 N -2.71 4.25 0.00 0.03 0.04 -1.26 -4.96 135.00 130.39 2dig s PRO 9 Ca 0.73 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2dig s PRO 9 Cb -0.44 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2dig s PRO 9 CO 0.49 -0.65 0.00 0.45 0.04 0.00 0.00 177.00 177.32 2dig n SER 10 N 5.82 0.00 -4.69 6.66 2.88 -1.26 -4.92 113.62 118.11 2dig n SER 10 Ca 0.14 0.33 -0.41 0.00 -1.33 0.00 0.00 58.87 57.61 2dig n SER 10 Cb 0.43 -0.47 0.01 0.00 -0.75 0.00 0.00 64.21 63.43 2dig n SER 10 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2dig n ARG 11 N -2.07 1.86 -0.33 -1.46 1.85 -1.26 -4.84 116.66 110.40 2dig n ARG 11 Ca 0.00 0.66 0.22 0.00 -1.00 0.00 0.00 57.85 57.73 2dig n ARG 11 Cb 0.00 -2.35 0.45 0.00 -1.05 0.00 0.00 32.46 29.50 2dig n ARG 11 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2dig h LYS 12 N 2.00 0.34 -4.68 2.89 1.57 -1.99 -3.34 116.57 113.36 2dig h LYS 12 Ca -0.48 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 57.66 2dig h LYS 12 Cb 1.30 -0.08 -0.37 0.00 0.08 0.00 0.00 32.23 33.17 2dig h LYS 12 CO 0.59 0.22 -0.82 -0.06 -0.57 0.00 0.00 179.45 178.82 2dig s PHE 13 N -5.70 2.52 0.66 -1.35 0.08 -1.26 -5.08 117.98 107.84 2dig s PHE 13 Ca -0.10 -1.63 -0.15 0.00 0.12 0.00 0.00 56.93 55.17 2dig s PHE 13 Cb 0.29 -1.70 -0.00 0.00 -0.57 0.00 0.00 43.02 41.04 2dig s PHE 13 CO 0.79 -0.76 1.10 0.00 -0.10 0.00 0.00 175.22 176.25 2dig s ALA 14 N 1.36 2.50 0.32 5.36 0.00 -1.26 -4.97 121.76 125.07 2dig s ALA 14 Ca -0.00 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 2dig s ALA 14 Cb -0.16 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2dig s ALA 14 CO -0.09 -1.24 1.37 0.34 0.00 0.00 0.00 175.76 176.14 2dig s ASP 15 N -2.68 6.67 0.00 0.00 2.15 -1.26 -2.13 116.67 119.43 2dig s ASP 15 Ca 0.66 2.75 0.00 0.00 0.43 0.00 0.00 52.55 56.39 2dig s ASP 15 Cb -0.20 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 2dig s ASP 15 CO 0.42 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2dig n GLY 16 N 1.06 2.85 3.77 2.66 0.00 0.12 -4.96 105.19 110.68 2dig n GLY 16 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2dig n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dig s GLU 17 N -0.07 3.82 -0.48 1.61 2.56 -0.90 -4.55 118.70 120.69 2dig s GLU 17 Ca 0.00 1.95 -0.17 0.00 0.00 0.00 0.00 54.97 56.75 2dig s GLU 17 Cb 0.00 -2.55 0.06 0.00 2.00 0.00 0.00 34.13 33.64 2dig s GLU 17 CO 0.00 -0.55 0.50 0.08 -0.56 0.00 0.00 175.26 174.73 2dig s VAL 18 N -1.40 5.06 0.39 3.70 1.01 -1.26 -1.14 120.40 126.75 2dig s VAL 18 Ca 0.61 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2dig s VAL 18 Cb -0.33 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 2dig s VAL 18 CO 0.41 -0.66 0.06 1.33 0.00 0.00 0.00 175.10 176.25 2dig n VAL 19 N 5.41 0.00 -3.98 2.92 0.24 0.47 -4.93 118.33 118.47 2dig n VAL 19 Ca -0.09 -2.04 -0.35 0.00 -2.04 0.00 0.00 64.34 59.81 2dig n VAL 19 Cb 0.45 0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 33.28 2dig n VAL 19 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2dig s ARG 20 N -3.45 3.82 0.03 7.34 1.81 -1.03 -0.06 118.95 127.41 2dig s ARG 20 Ca 0.09 -0.42 0.03 0.00 -1.72 0.00 0.00 55.73 53.72 2dig s ARG 20 Cb 0.00 -3.22 -0.04 0.00 -0.45 0.00 0.00 34.95 31.25 2dig s ARG 20 CO 0.06 0.10 -0.04 0.20 -0.68 0.00 0.00 175.30 174.94 2dig s GLY 21 N 0.83 1.82 -0.60 -3.53 0.00 -0.40 -1.29 107.32 104.15 2dig s GLY 21 Ca 0.03 -1.04 -0.21 0.00 0.00 0.00 0.00 44.72 43.50 2dig s GLY 21 CO 0.02 -0.94 0.81 -1.60 0.00 0.00 0.00 173.10 171.39 2dig s ARG 22 N -1.69 3.11 0.14 2.90 3.52 -0.98 -1.61 118.95 124.34 2dig s ARG 22 Ca 0.20 -0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 54.59 2dig s ARG 22 Cb -0.11 -4.21 -0.13 0.00 -1.56 0.00 0.00 34.95 28.94 2dig s ARG 22 CO 0.11 -1.58 0.44 1.87 -0.81 0.00 0.00 175.30 175.32 2dig n TRP 23 N 6.90 -0.31 0.97 5.12 -0.00 -1.09 -4.74 117.44 124.29 2dig n TRP 23 Ca -0.06 0.76 0.07 0.00 -0.00 0.00 0.00 57.50 58.27 2dig n TRP 23 Cb 0.44 -1.53 0.44 0.00 -0.00 0.00 0.00 31.31 30.67 2dig n TRP 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2dig n PRO 24 N 0.80 0.49 -0.04 5.87 -0.04 -1.26 -3.23 135.00 137.59 2dig n PRO 24 Ca 0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2dig n PRO 24 Cb 0.18 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2dig n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dig n GLY 25 N -0.03 -0.13 3.90 0.55 0.00 -1.26 -5.07 105.19 103.14 2dig n GLY 25 Ca 0.11 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2dig n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dig s SER 26 N -5.25 4.65 -0.37 1.61 0.15 -1.20 -5.04 113.70 108.25 2dig s SER 26 Ca -0.12 -1.21 0.06 0.00 0.70 0.00 0.00 55.95 55.38 2dig s SER 26 Cb 0.04 0.34 0.60 0.00 -1.71 0.00 0.00 66.02 65.28 2dig s SER 26 CO 0.18 -1.07 1.71 -1.20 1.20 0.00 0.00 173.24 174.06 2dig n SER 27 N -1.75 3.20 -4.72 5.45 7.64 -1.26 -4.19 113.62 117.99 2dig n SER 27 Ca -0.01 -3.67 -0.30 0.00 1.01 0.00 0.00 58.87 55.89 2dig n SER 27 Cb 0.64 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dig s LEU 28 N -3.27 3.59 -0.16 -3.43 1.43 -1.26 -5.00 118.68 110.59 2dig s LEU 28 Ca 0.51 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2dig s LEU 28 Cb 0.45 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2dig s LEU 28 CO 0.06 0.17 0.01 -0.31 0.23 0.00 0.00 176.35 176.51 2dig s TYR 29 N -1.35 3.15 0.22 0.29 1.51 -1.26 -2.66 117.35 117.25 2dig s TYR 29 Ca 0.27 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.36 2dig s TYR 29 Cb -0.12 -1.98 -0.05 0.00 -0.11 0.00 0.00 41.96 39.70 2dig s TYR 29 CO 0.20 0.13 -0.14 0.71 -1.11 0.00 0.00 175.55 175.34 2dig s TYR 30 N 0.16 1.78 0.13 2.71 2.02 -0.63 -4.87 117.35 118.64 2dig s TYR 30 Ca 0.02 -0.56 -0.31 0.00 -0.37 0.00 0.00 57.07 55.85 2dig s TYR 30 Cb -0.13 -0.83 -0.09 0.00 -0.40 0.00 0.00 41.96 40.51 2dig s TYR 30 CO 0.02 0.39 1.59 -2.00 -1.57 0.00 0.00 175.55 173.97 2dig s GLU 31 N -3.64 4.21 -0.00 -0.62 2.12 -1.26 -1.28 118.70 118.24 2dig s GLU 31 Ca 0.24 2.34 -0.21 0.00 0.36 0.00 0.00 54.97 57.69 2dig s GLU 31 Cb -0.01 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 31.11 2dig s GLU 31 CO 0.08 -0.64 0.46 0.14 -0.54 0.00 0.00 175.26 174.76 2dig s VAL 32 N 1.67 0.04 0.13 3.70 -7.23 0.91 -4.54 120.40 115.07 2dig s VAL 32 Ca 0.71 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 60.59 2dig s VAL 32 Cb -0.42 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2dig s VAL 32 CO 0.31 -0.17 0.21 -0.70 -0.31 0.00 0.00 175.10 174.44 2dig s GLU 33 N -1.73 3.24 -0.20 4.82 2.12 -0.89 -0.39 118.70 125.67 2dig s GLU 33 Ca -0.10 -0.64 -0.20 0.00 0.36 0.00 0.00 54.97 54.39 2dig s GLU 33 Cb -0.02 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 2dig s GLU 33 CO 0.03 0.54 0.60 0.42 -0.54 0.00 0.00 175.26 176.31 2dig s ILE 34 N -1.65 5.04 -0.25 -3.70 -1.09 -0.29 -1.29 121.20 117.97 2dig s ILE 34 Ca 0.33 1.12 -0.15 0.00 -2.23 0.00 0.00 60.65 59.72 2dig s ILE 34 Cb -0.11 -3.92 -0.16 0.00 -1.58 0.00 0.00 42.46 36.70 2dig s ILE 34 CO 0.26 0.12 -0.11 0.18 -1.23 0.00 0.00 174.94 174.17 2dig n LEU 35 N 5.01 2.02 0.00 2.97 4.77 0.13 0.11 117.00 132.01 2dig n LEU 35 Ca -0.02 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 2dig n LEU 35 Cb 0.50 -0.89 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2dig n LEU 35 CO 0.43 0.50 0.41 -0.24 -1.33 0.00 0.00 177.39 177.17 2dig n SER 36 N -4.22 -1.92 -3.60 -1.43 2.88 -1.14 -4.74 113.62 99.45 2dig n SER 36 Ca -0.45 -2.57 -0.16 0.00 -1.33 0.00 0.00 58.87 54.36 2dig n SER 36 Cb 0.83 3.27 -0.07 0.00 -0.75 0.00 0.00 64.21 67.49 2dig n SER 36 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2dig s HIS 37 N -2.73 -0.66 0.08 0.66 2.46 -1.26 -2.12 115.29 111.72 2dig s HIS 37 Ca 0.18 1.38 0.09 0.00 0.47 0.00 0.00 55.06 57.18 2dig s HIS 37 Cb -0.04 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.69 2dig s HIS 37 CO 0.13 -0.48 -0.23 0.34 -2.47 0.00 0.00 174.74 172.04 2dig s ASP 38 N -0.49 3.51 0.00 9.88 2.15 -1.23 -5.02 116.67 125.47 2dig s ASP 38 Ca -0.06 -0.58 0.22 0.00 0.43 0.00 0.00 52.55 52.56 2dig s ASP 38 Cb -0.03 -0.41 -0.01 0.00 -0.30 0.00 0.00 42.92 42.18 2dig s ASP 38 CO 0.05 0.22 1.07 -1.54 -0.17 0.00 0.00 175.17 174.80 2dig n SER 39 N 1.32 2.01 -0.05 -0.34 3.41 -1.26 -2.90 113.62 115.82 2dig n SER 39 Ca -0.17 -1.51 -0.05 0.00 -0.26 0.00 0.00 58.87 56.89 2dig n SER 39 Cb 0.52 0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.86 2dig n SER 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2dig n THR 40 N -0.00 0.71 0.51 6.66 -1.04 -1.26 -4.58 114.28 115.27 2dig n THR 40 Ca 0.09 -0.46 0.09 0.00 -2.04 0.00 0.00 64.05 61.73 2dig n THR 40 Cb 0.46 -0.63 -0.11 0.00 -1.82 0.00 0.00 70.33 68.22 2dig n THR 40 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2dig n SER 41 N -2.38 0.85 -3.59 8.00 7.64 -1.26 -4.98 113.62 117.89 2dig n SER 41 Ca -0.17 -0.57 -0.27 0.00 1.01 0.00 0.00 58.87 58.87 2dig n SER 41 Cb 0.82 1.31 0.00 0.00 -1.01 0.00 0.00 64.21 65.33 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dig n GLN 42 N -1.68 -3.99 -4.10 1.43 1.13 -1.14 -4.94 117.38 104.09 2dig n GLN 42 Ca 0.01 0.52 -0.33 0.00 -1.94 0.00 0.00 57.00 55.26 2dig n GLN 42 Cb 0.35 -5.29 -0.16 0.00 0.11 0.00 0.00 30.24 25.25 2dig n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dig s LEU 43 N -6.81 2.45 -0.17 1.08 1.43 -1.26 -3.70 118.68 111.71 2dig s LEU 43 Ca 0.51 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 2dig s LEU 43 Cb -0.26 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2dig s LEU 43 CO 0.63 -0.04 0.56 -0.31 0.23 0.00 0.00 176.35 177.41 2dig s TYR 44 N 1.25 3.41 -0.56 0.29 1.51 0.54 -3.52 117.35 120.28 2dig s TYR 44 Ca 0.02 0.88 -0.23 0.00 -1.01 0.00 0.00 57.07 56.73 2dig s TYR 44 Cb -0.15 -2.70 0.05 0.00 -0.11 0.00 0.00 41.96 39.06 2dig s TYR 44 CO -0.11 -0.06 0.87 0.99 -1.11 0.00 0.00 175.55 176.13 2dig s THR 45 N 1.48 4.50 0.15 -0.71 2.01 -0.90 -1.31 115.64 120.85 2dig s THR 45 Ca 0.27 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.28 2dig s THR 45 Cb -0.16 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 2dig s THR 45 CO 0.11 -1.11 0.02 0.68 -0.69 0.00 0.00 174.62 173.63 2dig s VAL 46 N 3.64 3.92 -0.02 3.82 -7.23 -1.09 0.20 120.40 123.63 2dig s VAL 46 Ca 0.25 -1.24 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 2dig s VAL 46 Cb -0.15 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 2dig s VAL 46 CO 0.16 -0.04 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.95 2dig s LYS 47 N -2.76 2.23 0.14 4.82 2.20 -0.41 -2.12 119.74 123.84 2dig s LYS 47 Ca 0.27 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2dig s LYS 47 Cb -0.10 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 2dig s LYS 47 CO 0.19 0.58 0.26 0.71 -0.36 0.00 0.00 175.35 176.73 2dig s TYR 48 N -0.71 3.45 0.21 4.03 1.51 0.10 -2.09 117.35 123.86 2dig s TYR 48 Ca 0.11 0.11 -0.13 0.00 -1.01 0.00 0.00 57.07 56.16 2dig s TYR 48 Cb -0.10 -1.66 0.26 0.00 -0.11 0.00 0.00 41.96 40.35 2dig s TYR 48 CO 0.01 0.52 1.63 -0.22 -1.11 0.00 0.00 175.55 176.38 2dig h LYS 49 N 2.25 0.02 -1.01 -0.62 1.63 -1.89 0.49 116.57 117.44 2dig h LYS 49 Ca -0.48 -0.00 0.29 0.00 -0.85 0.00 0.00 60.65 59.60 2dig h LYS 49 Cb 1.19 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.77 2dig h LYS 49 CO 0.69 0.02 0.72 0.22 -3.45 0.00 0.00 179.45 177.64 2dig h ASP 50 N 0.03 0.05 0.00 4.20 3.58 -1.97 -3.44 116.42 118.87 2dig h ASP 50 Ca 0.32 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2dig h ASP 50 Cb 0.49 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2dig h ASP 50 CO -0.63 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.35 2dig n GLY 51 N -1.71 1.21 3.25 -0.78 0.00 0.17 -5.13 105.19 102.20 2dig n GLY 51 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2dig n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dig s THR 52 N -2.00 1.74 0.25 2.61 2.01 -1.21 -4.90 115.64 114.13 2dig s THR 52 Ca 0.00 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 61.09 2dig s THR 52 Cb 0.00 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2dig s THR 52 CO 0.00 0.44 0.01 -1.61 -0.69 0.00 0.00 174.62 172.77 2dig s GLU 53 N -0.65 2.34 0.36 4.92 8.01 -1.26 0.02 118.70 132.44 2dig s GLU 53 Ca 0.08 -1.34 -0.12 0.00 0.01 0.00 0.00 54.97 53.60 2dig s GLU 53 Cb -0.09 -2.22 0.03 0.00 -4.31 0.00 0.00 34.13 27.55 2dig s GLU 53 CO -0.00 0.38 0.68 -0.51 0.01 0.00 0.00 175.26 175.82 2dig s LEU 54 N -3.55 0.28 -0.30 1.80 1.43 -0.90 -4.99 118.68 112.44 2dig s LEU 54 Ca 0.31 -1.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.25 2dig s LEU 54 Cb -0.07 2.40 0.08 0.00 0.03 0.00 0.00 46.19 48.63 2dig s LEU 54 CO 0.20 -1.53 -0.02 -1.61 0.23 0.00 0.00 176.35 173.62 2dig s GLU 55 N -2.73 1.78 -0.13 1.70 2.02 -1.26 -2.68 118.70 117.40 2dig s GLU 55 Ca 0.20 -1.58 0.01 0.00 0.02 0.00 0.00 54.97 53.62 2dig s GLU 55 Cb -0.04 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 2dig s GLU 55 CO 0.13 -0.77 -0.15 -0.51 0.02 0.00 0.00 175.26 173.99 2dig s LEU 56 N 1.04 2.59 0.79 1.80 1.43 -0.43 -4.81 118.68 121.09 2dig s LEU 56 Ca 0.02 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2dig s LEU 56 Cb -0.19 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.52 2dig s LEU 56 CO -0.07 0.16 1.17 0.29 0.23 0.00 0.00 176.35 178.12 2dig n LYS 57 N 3.56 0.29 -0.33 1.70 5.02 -1.26 -0.34 118.16 126.81 2dig n LYS 57 Ca -0.18 0.17 0.31 0.00 -2.02 0.00 0.00 58.31 56.59 2dig n LYS 57 Cb 0.53 -2.41 0.67 0.00 -0.02 0.00 0.00 35.03 33.79 2dig n LYS 57 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2dig h GLU 58 N -0.72 0.13 -0.00 1.97 4.81 -1.92 0.14 114.58 118.99 2dig h GLU 58 Ca -0.47 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.64 2dig h GLU 58 Cb 1.31 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.67 2dig h GLU 58 CO 0.46 0.09 -0.46 -0.97 -0.73 0.00 0.00 179.01 177.40 2dig h ASN 59 N 0.13 0.41 -0.43 1.04 -1.24 -1.92 -3.19 115.58 110.39 2dig h ASN 59 Ca 0.59 -0.77 0.12 0.00 0.71 0.00 0.00 56.30 56.95 2dig h ASN 59 Cb 2.04 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.95 2dig h ASN 59 CO -0.12 1.12 0.42 0.44 -1.29 0.00 0.00 177.43 178.00 2dig h ASP 60 N -0.26 0.00 -2.97 1.15 5.19 -1.05 -3.40 116.42 115.08 2dig h ASP 60 Ca -0.06 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.74 2dig h ASP 60 Cb 1.19 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.65 2dig h ASP 60 CO 0.09 0.00 -0.28 -0.63 -3.12 0.00 0.00 179.24 175.30 2dig s ILE 61 N -4.68 5.16 -0.20 0.35 1.01 -0.90 -2.32 121.20 119.61 2dig s ILE 61 Ca -0.04 0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 2dig s ILE 61 Cb 0.16 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 39.06 2dig s ILE 61 CO 0.58 0.47 0.55 -1.59 0.00 0.00 0.00 174.94 174.95 2dig s LYS 62 N -1.40 0.64 0.16 2.79 0.00 -0.41 -4.93 119.74 116.58 2dig s LYS 62 Ca 0.26 0.76 0.09 0.00 0.00 0.00 0.00 55.97 57.07 2dig s LYS 62 Cb -0.15 0.31 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 2dig s LYS 62 CO 0.14 -0.08 -0.11 0.45 0.00 0.00 0.00 175.35 175.75 2dig s SER 63 N 0.29 4.21 0.00 0.03 0.15 -1.26 -2.45 113.70 114.67 2dig s SER 63 Ca -0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2dig s SER 63 Cb -0.04 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 2dig s SER 63 CO 0.01 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2dig n GLY 64 N 0.29 1.05 3.62 9.45 0.00 -1.26 -5.02 105.19 113.32 2dig n GLY 64 Ca -0.12 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2dig n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dig s PRO 65 N 0.45 3.64 0.02 1.61 0.04 -1.26 -4.90 135.00 134.60 2dig s PRO 65 Ca 0.00 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 2dig s PRO 65 Cb 0.00 -4.08 -0.20 0.00 0.04 0.00 0.00 34.50 30.26 2dig s PRO 65 CO 0.00 -1.49 1.18 0.66 0.04 0.00 0.00 177.00 177.39 2dig h SER 66 N 11.35 0.49 -3.30 6.66 4.64 -1.97 -3.44 113.55 127.99 2dig h SER 66 Ca -0.33 -0.67 -0.40 0.00 -0.47 0.00 0.00 61.79 59.93 2dig h SER 66 Cb 1.15 -0.15 -0.38 0.00 -0.31 0.00 0.00 62.40 62.71 2dig h SER 66 CO 1.02 1.08 -0.75 -0.55 -0.87 0.00 0.00 176.83 176.76 2dig s SER 67 N -6.54 1.29 0.00 4.97 0.15 -1.26 -5.15 113.70 107.16 2dig s SER 67 Ca -0.14 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2dig s SER 67 Cb 0.04 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dig s SER 67 CO 0.80 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.63