#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 -0.27 0.33 1.61 0.15 -1.26 -5.03 113.70 109.23 2dig s SER 2 Ca 0.00 -0.55 -0.17 0.00 0.70 0.00 0.00 55.95 55.93 2dig s SER 2 Cb 0.00 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 2dig s SER 2 CO 0.00 -1.18 0.71 -0.44 1.20 0.00 0.00 173.24 173.54 2dig s SER 3 N -2.90 -0.05 -0.76 5.45 0.01 -1.26 -5.11 113.70 109.08 2dig s SER 3 Ca 0.11 -0.93 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 2dig s SER 3 Cb -0.03 0.76 0.19 0.00 0.21 0.00 0.00 66.02 67.15 2dig s SER 3 CO 0.02 -1.47 0.59 -0.83 0.41 0.00 0.00 173.24 171.96 2dig s GLY 4 N -3.01 2.86 -0.02 3.44 0.00 -1.26 -5.04 107.32 104.29 2dig s GLY 4 Ca 0.15 -3.66 -0.03 0.00 0.00 0.00 0.00 44.72 41.18 2dig s GLY 4 CO 0.10 1.13 0.08 -0.56 0.00 0.00 0.00 173.10 173.85 2dig s SER 5 N -0.26 -0.03 0.38 1.64 0.01 -1.26 -5.13 113.70 109.05 2dig s SER 5 Ca 0.24 0.04 -0.25 0.00 1.31 0.00 0.00 55.95 57.29 2dig s SER 5 Cb -0.11 0.17 -0.12 0.00 0.21 0.00 0.00 66.02 66.16 2dig s SER 5 CO -0.10 -0.10 0.90 -1.54 0.41 0.00 0.00 173.24 172.80 2dig n SER 6 N 2.67 0.74 -0.66 2.44 3.41 -1.26 -4.61 113.62 116.34 2dig n SER 6 Ca -0.15 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2dig n SER 6 Cb 0.58 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2dig n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dig n GLY 7 N 1.35 -2.98 3.75 5.00 0.00 -1.26 -4.97 105.19 106.06 2dig n GLY 7 Ca 0.10 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 2dig n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dig n MET 8 N 0.21 1.83 -2.26 1.61 -0.00 -1.26 -4.96 117.12 112.29 2dig n MET 8 Ca 0.00 0.67 -0.38 0.00 -0.00 0.00 0.00 57.70 57.99 2dig n MET 8 Cb 0.00 -2.58 -0.01 0.00 -0.00 0.00 0.00 33.22 30.62 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 -2.76 3.94 0.05 3.17 0.04 -1.26 -5.05 135.00 133.14 2dig s PRO 9 Ca 0.69 1.85 0.08 0.00 0.04 0.00 0.00 61.00 63.66 2dig s PRO 9 Cb -0.43 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2dig s PRO 9 CO 0.51 -0.42 -0.22 0.45 0.04 0.00 0.00 177.00 177.37 2dig s SER 10 N -1.17 3.56 0.37 6.66 0.15 -1.26 -5.05 113.70 116.96 2dig s SER 10 Ca 0.59 -0.52 0.07 0.00 0.70 0.00 0.00 55.95 56.79 2dig s SER 10 Cb -0.31 -0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 63.46 2dig s SER 10 CO 0.38 0.25 -0.00 0.00 1.20 0.00 0.00 173.24 175.07 2dig s ARG 11 N -1.47 1.83 0.48 5.44 3.03 -1.26 -4.99 118.95 122.01 2dig s ARG 11 Ca 0.14 -2.01 0.42 0.00 2.03 0.00 0.00 55.73 56.31 2dig s ARG 11 Cb -0.10 -1.42 1.53 0.00 -1.03 0.00 0.00 34.95 33.93 2dig s ARG 11 CO 0.05 -0.05 1.43 1.63 -1.13 0.00 0.00 175.30 177.23 2dig n LYS 12 N -0.84 -0.01 -3.87 3.89 5.02 -1.26 -3.39 118.16 117.70 2dig n LYS 12 Ca -0.04 1.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.99 2dig n LYS 12 Cb 0.66 -2.29 -0.16 0.00 -0.02 0.00 0.00 35.03 33.23 2dig n LYS 12 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2dig s PHE 13 N -4.80 2.02 0.78 2.13 0.08 -1.26 -5.09 117.98 111.84 2dig s PHE 13 Ca -0.05 -1.54 -0.12 0.00 0.12 0.00 0.00 56.93 55.33 2dig s PHE 13 Cb 0.26 -1.47 0.07 0.00 -0.57 0.00 0.00 43.02 41.30 2dig s PHE 13 CO 0.80 -0.74 1.14 0.00 -0.10 0.00 0.00 175.22 176.32 2dig s ALA 14 N 1.52 2.03 -0.04 5.36 0.00 -1.22 -4.92 121.76 124.49 2dig s ALA 14 Ca -0.03 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 2dig s ALA 14 Cb -0.18 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 2dig s ALA 14 CO -0.08 -2.00 1.57 0.16 0.00 0.00 0.00 175.76 175.41 2dig s ASP 15 N -2.69 6.72 0.00 0.00 -4.77 -1.26 -1.98 116.67 112.68 2dig s ASP 15 Ca 0.67 2.20 0.00 0.00 -3.30 0.00 0.00 52.55 52.12 2dig s ASP 15 Cb -0.22 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 2dig s ASP 15 CO 0.51 -0.87 0.00 0.61 0.70 0.00 0.00 175.17 176.13 2dig n GLY 16 N 3.97 0.71 3.77 2.12 0.00 0.20 -5.00 105.19 110.96 2dig n GLY 16 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.76 3.85 -0.36 1.61 2.12 -0.84 -4.52 118.70 119.80 2dig s GLU 17 Ca 0.00 1.88 -0.14 0.00 0.36 0.00 0.00 54.97 57.07 2dig s GLU 17 Cb 0.00 -2.54 -0.00 0.00 0.26 0.00 0.00 34.13 31.84 2dig s GLU 17 CO 0.00 -0.50 0.31 0.08 -0.54 0.00 0.00 175.26 174.61 2dig s VAL 18 N -1.44 5.22 0.41 3.70 1.01 -1.26 -0.99 120.40 127.05 2dig s VAL 18 Ca 0.61 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2dig s VAL 18 Cb -0.31 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2dig s VAL 18 CO 0.39 -0.14 0.19 1.33 0.00 0.00 0.00 175.10 176.87 2dig n VAL 19 N 5.20 0.00 -3.54 2.92 0.24 0.13 -4.95 118.33 118.33 2dig n VAL 19 Ca -0.11 -2.50 -0.37 0.00 -2.04 0.00 0.00 64.34 59.32 2dig n VAL 19 Cb 0.49 0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 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 -3.57 4.10 -0.15 7.34 1.81 0.04 -0.39 118.95 128.12 2dig s ARG 20 Ca 0.26 -0.08 0.02 0.00 -1.72 0.00 0.00 55.73 54.21 2dig s ARG 20 Cb 0.01 -3.55 0.02 0.00 -0.45 0.00 0.00 34.95 30.98 2dig s ARG 20 CO 0.19 -0.00 -0.20 0.20 -0.68 0.00 0.00 175.30 174.81 2dig s GLY 21 N 1.10 1.31 -0.22 -3.53 0.00 -0.58 -0.58 107.32 104.82 2dig s GLY 21 Ca 0.12 -1.09 -0.28 0.00 0.00 0.00 0.00 44.72 43.47 2dig s GLY 21 CO 0.06 0.18 2.00 -1.60 0.00 0.00 0.00 173.10 173.75 2dig s ARG 22 N 1.09 3.37 0.32 2.90 3.52 -0.92 -2.89 118.95 126.34 2dig s ARG 22 Ca -0.01 1.88 -0.27 0.00 -0.13 0.00 0.00 55.73 57.20 2dig s ARG 22 Cb -0.14 -4.26 -0.13 0.00 -1.56 0.00 0.00 34.95 28.85 2dig s ARG 22 CO -0.07 -1.82 0.98 1.87 -0.81 0.00 0.00 175.30 175.44 2dig n TRP 23 N 10.48 1.13 -2.07 5.12 -0.00 -0.90 -4.79 117.44 126.42 2dig n TRP 23 Ca 0.25 0.68 -0.28 0.00 -0.00 0.00 0.00 57.50 58.15 2dig n TRP 23 Cb 0.45 -2.23 -0.06 0.00 -0.00 0.00 0.00 31.31 29.47 2dig n TRP 23 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2dig s PRO 24 N -1.62 2.50 0.00 5.87 0.04 -1.26 -2.68 135.00 137.84 2dig s PRO 24 Ca 0.60 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2dig s PRO 24 Cb -0.67 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 28.64 2dig s PRO 24 CO 0.59 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 174.12 2dig n GLY 25 N 5.92 1.80 3.41 0.56 0.00 -1.26 -5.14 105.19 110.48 2dig n GLY 25 Ca 0.44 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 3.23 -0.12 1.61 0.15 -1.09 -5.02 113.70 112.45 2dig s SER 26 Ca 0.00 -0.94 0.02 0.00 0.70 0.00 0.00 55.95 55.72 2dig s SER 26 Cb 0.00 -0.24 0.21 0.00 -1.71 0.00 0.00 66.02 64.28 2dig s SER 26 CO 0.00 0.03 1.22 -0.24 1.20 0.00 0.00 173.24 175.44 2dig n SER 27 N -0.12 3.11 -4.67 5.45 2.88 -1.26 -4.16 113.62 114.84 2dig n SER 27 Ca -0.09 -2.45 -0.33 0.00 -1.33 0.00 0.00 58.87 54.66 2dig n SER 27 Cb 0.58 -0.59 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dig s LEU 28 N -0.96 3.49 -0.10 2.46 1.43 -1.26 -5.03 118.68 118.72 2dig s LEU 28 Ca 0.17 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2dig s LEU 28 Cb 0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2dig s LEU 28 CO 0.04 0.32 0.02 -0.31 0.23 0.00 0.00 176.35 176.65 2dig s TYR 29 N -0.99 3.23 0.23 0.29 1.51 -1.26 -2.11 117.35 118.25 2dig s TYR 29 Ca 0.17 0.23 0.06 0.00 -1.01 0.00 0.00 57.07 56.51 2dig s TYR 29 Cb -0.11 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2dig s TYR 29 CO 0.07 0.48 -0.07 0.71 -1.11 0.00 0.00 175.55 175.63 2dig s TYR 30 N -0.82 1.70 -0.31 2.71 1.51 -1.14 -4.88 117.35 116.12 2dig s TYR 30 Ca 0.13 -0.74 -0.29 0.00 -1.01 0.00 0.00 57.07 55.16 2dig s TYR 30 Cb -0.12 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 2dig s TYR 30 CO 0.02 0.18 1.53 -2.00 -1.11 0.00 0.00 175.55 174.18 2dig s GLU 31 N -3.75 3.68 0.14 -0.62 2.12 -1.26 -1.52 118.70 117.48 2dig s GLU 31 Ca 0.26 1.35 0.04 0.00 0.36 0.00 0.00 54.97 56.97 2dig s GLU 31 Cb 0.03 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 2dig s GLU 31 CO 0.08 -1.43 -0.10 0.14 -0.54 0.00 0.00 175.26 173.41 2dig s VAL 32 N 5.39 1.10 0.15 3.70 -7.23 0.48 -4.58 120.40 119.40 2dig s VAL 32 Ca 0.67 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2dig s VAL 32 Cb -0.20 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 2dig s VAL 32 CO 0.30 -0.74 0.12 -0.70 -0.31 0.00 0.00 175.10 173.77 2dig s GLU 33 N -3.65 2.88 -0.36 4.82 2.12 -1.07 -0.69 118.70 122.77 2dig s GLU 33 Ca 0.15 -0.83 -0.19 0.00 0.36 0.00 0.00 54.97 54.46 2dig s GLU 33 Cb 0.02 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.75 2dig s GLU 33 CO -0.00 0.50 0.55 0.42 -0.54 0.00 0.00 175.26 176.20 2dig s ILE 34 N -1.67 4.97 -0.20 -3.70 -1.09 -0.16 -2.03 121.20 117.32 2dig s ILE 34 Ca 0.30 0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 58.91 2dig s ILE 34 Cb -0.11 -4.01 -0.19 0.00 -1.58 0.00 0.00 42.46 36.57 2dig s ILE 34 CO 0.23 -0.27 0.21 0.18 -1.23 0.00 0.00 174.94 174.07 2dig n LEU 35 N 5.85 1.91 -3.89 2.97 4.77 -0.01 0.60 117.00 129.20 2dig n LEU 35 Ca -0.04 0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 2dig n LEU 35 Cb 0.49 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2dig n LEU 35 CO 0.47 0.32 0.40 -0.55 -1.33 0.00 0.00 177.39 176.70 2dig s SER 36 N -6.88 0.10 -0.04 -1.43 0.15 -1.09 -4.73 113.70 99.78 2dig s SER 36 Ca -0.29 -1.07 -0.01 0.00 0.70 0.00 0.00 55.95 55.28 2dig s SER 36 Cb 0.06 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 65.16 2dig s SER 36 CO 0.60 -1.48 0.05 -2.28 1.20 0.00 0.00 173.24 171.34 2dig s HIS 37 N -3.00 0.04 -0.16 3.44 2.46 -1.26 -1.92 115.29 114.89 2dig s HIS 37 Ca 0.18 0.23 -0.05 0.00 0.47 0.00 0.00 55.06 55.89 2dig s HIS 37 Cb -0.04 -0.40 -0.03 0.00 -0.13 0.00 0.00 32.58 31.98 2dig s HIS 37 CO 0.12 -0.16 0.01 -0.51 -2.47 0.00 0.00 174.74 171.73 2dig s ASP 38 N 1.84 5.24 0.00 9.88 1.01 -0.41 -4.99 116.67 129.24 2dig s ASP 38 Ca 0.01 -0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.33 2dig s ASP 38 Cb -0.12 -1.85 -0.24 0.00 1.01 0.00 0.00 42.92 41.72 2dig s ASP 38 CO -0.03 0.19 0.85 -1.28 0.21 0.00 0.00 175.17 175.11 2dig h SER 39 N 6.55 0.12 -0.95 0.27 0.87 -1.94 -1.58 113.55 116.89 2dig h SER 39 Ca -0.36 -0.19 0.20 0.00 -1.23 0.00 0.00 61.79 60.22 2dig h SER 39 Cb 1.18 -0.04 -0.18 0.00 -0.44 0.00 0.00 62.40 62.92 2dig h SER 39 CO 0.66 1.16 -0.20 0.41 -0.53 0.00 0.00 176.83 178.33 2dig n THR 40 N -3.25 -0.40 -1.30 2.23 -1.04 -1.26 -1.70 114.28 107.55 2dig n THR 40 Ca -0.13 2.17 0.05 0.00 -2.04 0.00 0.00 64.05 64.10 2dig n THR 40 Cb 1.02 -3.03 0.07 0.00 -1.82 0.00 0.00 70.33 66.57 2dig n THR 40 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2dig n SER 41 N -5.53 1.33 -3.41 8.00 2.88 -1.26 -4.98 113.62 110.64 2dig n SER 41 Ca 0.16 -2.47 -0.24 0.00 -1.33 0.00 0.00 58.87 55.00 2dig n SER 41 Cb 0.52 -0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dig n GLN 42 N -0.75 -3.46 -3.83 -1.46 1.13 -0.69 -4.93 117.38 103.39 2dig n GLN 42 Ca 0.08 0.48 -0.36 0.00 -1.94 0.00 0.00 57.00 55.26 2dig n GLN 42 Cb 0.62 -5.20 -0.08 0.00 0.11 0.00 0.00 30.24 25.69 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 -6.55 4.20 -0.16 1.08 1.43 -0.68 -2.88 118.68 115.13 2dig s LEU 43 Ca 0.42 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.74 2dig s LEU 43 Cb -0.22 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2dig s LEU 43 CO 0.52 0.26 0.09 -0.31 0.23 0.00 0.00 176.35 177.14 2dig s TYR 44 N -0.15 3.36 -0.59 0.29 1.51 -0.04 -1.28 117.35 120.45 2dig s TYR 44 Ca 0.10 0.26 -0.19 0.00 -1.01 0.00 0.00 57.07 56.24 2dig s TYR 44 Cb -0.11 -2.02 0.10 0.00 -0.11 0.00 0.00 41.96 39.82 2dig s TYR 44 CO 0.00 0.38 0.70 0.99 -1.11 0.00 0.00 175.55 176.51 2dig s THR 45 N -0.16 4.83 0.29 -0.71 2.01 -0.81 -1.06 115.64 120.03 2dig s THR 45 Ca 0.09 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.15 2dig s THR 45 Cb -0.12 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.88 2dig s THR 45 CO 0.01 -1.11 0.24 0.68 -0.69 0.00 0.00 174.62 173.75 2dig s VAL 46 N 2.65 4.00 -0.07 3.82 -7.23 -1.04 -0.83 120.40 121.71 2dig s VAL 46 Ca 0.11 -1.39 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2dig s VAL 46 Cb -0.24 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.41 2dig s VAL 46 CO 0.06 -0.26 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.67 2dig s LYS 47 N -3.92 2.07 0.72 4.82 2.20 -0.86 -2.40 119.74 122.37 2dig s LYS 47 Ca 0.37 -0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 2dig s LYS 47 Cb -0.07 -1.69 0.09 0.00 -1.51 0.00 0.00 37.83 34.65 2dig s LYS 47 CO 0.26 0.15 1.01 0.71 -0.36 0.00 0.00 175.35 177.11 2dig s TYR 48 N 0.35 2.37 0.39 4.03 1.51 -0.21 -2.59 117.35 123.19 2dig s TYR 48 Ca -0.12 0.15 0.10 0.00 -1.01 0.00 0.00 57.07 56.20 2dig s TYR 48 Cb -0.15 -3.18 0.78 0.00 -0.11 0.00 0.00 41.96 39.30 2dig s TYR 48 CO 0.04 -1.56 1.90 -0.22 -1.11 0.00 0.00 175.55 174.60 2dig h LYS 49 N -0.60 0.18 -0.63 -0.62 1.63 -1.91 -1.67 116.57 112.95 2dig h LYS 49 Ca -0.42 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2dig h LYS 49 Cb 1.29 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2dig h LYS 49 CO 0.51 0.37 0.00 -0.40 -3.45 0.00 0.00 179.45 176.47 2dig n ASP 50 N -4.24 1.35 -2.97 4.20 5.75 -1.26 -4.87 116.55 114.50 2dig n ASP 50 Ca -0.01 -2.09 -0.13 0.00 -0.01 0.00 0.00 54.79 52.55 2dig n ASP 50 Cb 0.30 -0.36 0.06 0.00 -1.03 0.00 0.00 41.12 40.09 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dig n GLY 51 N 0.32 -0.74 3.04 6.12 0.00 -0.63 -5.03 105.19 108.27 2dig n GLY 51 Ca 0.04 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.32 1.44 -0.21 2.61 2.01 -1.25 -4.89 115.64 112.03 2dig s THR 52 Ca 0.33 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 2dig s THR 52 Cb -0.04 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2dig s THR 52 CO 0.62 0.43 0.09 -1.61 -0.69 0.00 0.00 174.62 173.46 2dig s GLU 53 N 1.10 3.96 0.26 4.92 2.02 -1.26 -1.05 118.70 128.66 2dig s GLU 53 Ca -0.04 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.62 2dig s GLU 53 Cb -0.14 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2dig s GLU 53 CO -0.03 0.15 0.13 -0.51 0.02 0.00 0.00 175.26 175.02 2dig s LEU 54 N 0.75 1.52 -0.34 1.80 1.43 -1.01 -4.99 118.68 117.84 2dig s LEU 54 Ca 0.05 -1.46 -0.00 0.00 -1.03 0.00 0.00 54.13 51.69 2dig s LEU 54 Cb -0.13 0.20 0.08 0.00 0.03 0.00 0.00 46.19 46.37 2dig s LEU 54 CO 0.02 -0.82 0.06 -1.61 0.23 0.00 0.00 176.35 174.22 2dig s GLU 55 N -3.98 2.09 -0.16 1.70 2.02 -1.26 -2.50 118.70 116.63 2dig s GLU 55 Ca 0.38 -1.56 -0.02 0.00 0.02 0.00 0.00 54.97 53.78 2dig s GLU 55 Cb 0.06 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 2dig s GLU 55 CO 0.15 -0.81 -0.09 -0.51 0.02 0.00 0.00 175.26 174.02 2dig s LEU 56 N 1.13 2.87 0.98 1.80 1.43 -0.23 -4.78 118.68 121.90 2dig s LEU 56 Ca 0.02 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 2dig s LEU 56 Cb -0.21 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.43 2dig s LEU 56 CO -0.04 0.11 0.64 0.29 0.23 0.00 0.00 176.35 177.58 2dig n LYS 57 N 3.93 -0.70 0.32 1.70 4.01 -1.26 -0.86 118.16 125.30 2dig n LYS 57 Ca -0.18 -0.16 0.20 0.00 -0.51 0.00 0.00 58.31 57.66 2dig n LYS 57 Cb 0.52 -2.03 1.09 0.00 -0.51 0.00 0.00 35.03 34.11 2dig n LYS 57 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2dig h GLU 58 N -1.83 0.00 0.15 1.97 4.81 -1.89 -1.79 114.58 116.00 2dig h GLU 58 Ca -0.46 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.48 2dig h GLU 58 Cb 1.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.68 2dig h GLU 58 CO 0.38 0.00 -1.46 -0.97 -0.73 0.00 0.00 179.01 176.23 2dig h ASN 59 N 0.00 0.48 -0.02 1.04 -0.73 -1.89 -3.31 115.58 111.15 2dig h ASN 59 Ca 0.01 -0.89 0.01 0.00 1.87 0.00 0.00 56.30 57.29 2dig h ASN 59 Cb 0.13 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 2dig h ASN 59 CO -0.00 1.66 0.10 0.44 -0.37 0.00 0.00 177.43 179.25 2dig h ASP 60 N -0.17 0.00 -2.80 1.15 3.32 -1.65 -3.41 116.42 112.87 2dig h ASP 60 Ca -0.30 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.11 2dig h ASP 60 Cb 1.87 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.36 2dig h ASP 60 CO 0.11 0.00 -0.43 -0.63 -1.72 0.00 0.00 179.24 176.57 2dig s ILE 61 N -4.24 5.38 0.16 0.35 1.01 -1.08 -2.17 121.20 120.61 2dig s ILE 61 Ca -0.05 0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 2dig s ILE 61 Cb 0.13 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 2dig s ILE 61 CO 0.41 0.45 0.26 -0.54 0.00 0.00 0.00 174.94 175.52 2dig s LYS 62 N -1.52 1.12 0.42 2.79 1.02 0.25 -4.94 119.74 118.87 2dig s LYS 62 Ca 0.23 -1.17 0.07 0.00 0.02 0.00 0.00 55.97 55.11 2dig s LYS 62 Cb -0.13 0.37 -0.07 0.00 -0.52 0.00 0.00 37.83 37.47 2dig s LYS 62 CO 0.13 -0.40 0.02 -1.54 -0.92 0.00 0.00 175.35 172.63 2dig s SER 63 N -2.96 3.93 0.13 2.83 1.04 -1.26 -0.78 113.70 116.62 2dig s SER 63 Ca 0.17 -1.38 0.04 0.00 0.48 0.00 0.00 55.95 55.26 2dig s SER 63 Cb 0.04 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2dig s SER 63 CO -0.01 -0.49 -0.10 -0.83 0.98 0.00 0.00 173.24 172.80 2dig s GLY 64 N -3.73 1.00 -0.40 7.32 0.00 -1.26 -4.96 107.32 105.28 2dig s GLY 64 Ca 0.33 -1.42 -0.28 0.00 0.00 0.00 0.00 44.72 43.35 2dig s GLY 64 CO 0.17 -1.51 1.74 2.56 0.00 0.00 0.00 173.10 176.06 2dig s PRO 65 N -3.55 3.23 -1.48 2.90 0.04 -1.26 -3.74 135.00 131.15 2dig s PRO 65 Ca 0.14 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 2dig s PRO 65 Cb 0.02 -4.20 0.16 0.00 0.04 0.00 0.00 34.50 30.51 2dig s PRO 65 CO -0.00 -1.98 0.39 0.45 0.04 0.00 0.00 177.00 175.90 2dig n SER 66 N 10.51 -1.06 -4.52 6.66 2.88 -1.26 -4.82 113.62 122.02 2dig n SER 66 Ca 0.21 -1.02 -0.43 0.00 -1.33 0.00 0.00 58.87 56.30 2dig n SER 66 Cb 0.48 -1.29 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 2dig n SER 66 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dig s SER 67 N -3.06 6.35 0.00 -3.46 0.15 -1.25 -5.33 113.70 107.10 2dig s SER 67 Ca 0.55 -0.32 0.31 0.00 0.70 0.00 0.00 55.95 57.19 2dig s SER 67 Cb -0.32 -2.36 1.82 0.00 -1.71 0.00 0.00 66.02 63.45 2dig s SER 67 CO 0.83 -0.92 2.15 0.61 1.20 0.00 0.00 173.24 177.11