#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 7.00 0.11 1.61 0.15 -1.26 -5.00 113.70 116.31 2dig s SER 2 Ca 0.00 1.43 -0.13 0.00 0.70 0.00 0.00 55.95 57.95 2dig s SER 2 Cb 0.00 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2dig s SER 2 CO 0.00 -0.75 0.31 -0.94 1.20 0.00 0.00 173.24 173.06 2dig s SER 3 N 1.62 -0.08 -0.06 5.45 1.04 -1.26 -5.07 113.70 115.34 2dig s SER 3 Ca 0.48 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 2dig s SER 3 Cb -0.17 0.42 -0.30 0.00 0.10 0.00 0.00 66.02 66.07 2dig s SER 3 CO 0.11 -0.81 0.64 1.23 0.98 0.00 0.00 173.24 175.40 2dig h GLY 4 N 2.53 0.42 -0.92 7.32 0.00 -2.03 -3.37 103.07 107.02 2dig h GLY 4 Ca -0.34 -1.06 0.14 0.00 0.00 0.00 0.00 47.33 46.07 2dig h GLY 4 CO 0.51 0.93 -0.41 0.23 0.00 0.00 0.00 176.54 177.79 2dig h SER 5 N 0.01 -1.51 -1.63 0.19 0.87 -2.01 -3.39 113.55 106.08 2dig h SER 5 Ca -0.33 0.30 -0.69 0.00 -1.23 0.00 0.00 61.79 59.84 2dig h SER 5 Cb 2.02 0.76 0.01 0.00 -0.44 0.00 0.00 62.40 64.75 2dig h SER 5 CO 0.15 -0.29 1.05 -0.24 -0.53 0.00 0.00 176.83 176.97 2dig n SER 6 N -5.44 2.70 0.00 6.23 2.88 -1.26 -4.72 113.62 114.01 2dig n SER 6 Ca 0.08 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2dig n SER 6 Cb 0.38 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2dig n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dig n GLY 7 N 4.63 2.33 3.96 0.46 0.00 -1.26 -5.01 105.19 110.30 2dig n GLY 7 Ca 0.28 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 2dig n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dig s MET 8 N -1.72 3.41 0.20 1.61 1.00 -1.26 -5.00 119.30 117.54 2dig s MET 8 Ca 0.00 -0.74 0.21 0.00 0.00 0.00 0.00 55.69 55.16 2dig s MET 8 Cb 0.00 -2.89 0.89 0.00 0.00 0.00 0.00 34.83 32.83 2dig s MET 8 CO 0.00 0.45 1.65 -0.35 0.00 0.00 0.00 175.02 176.76 2dig n PRO 9 N -1.22 0.15 -3.84 2.03 -0.04 -1.26 -4.67 135.00 126.15 2dig n PRO 9 Ca -0.09 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.63 2dig n PRO 9 Cb 0.56 -1.78 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 2dig n PRO 9 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dig s SER 10 N -3.93 0.01 0.25 3.54 0.01 -1.26 -5.13 113.70 107.19 2dig s SER 10 Ca 0.05 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 57.03 2dig s SER 10 Cb 0.09 -0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.20 2dig s SER 10 CO 0.36 -0.04 1.62 -0.60 0.41 0.00 0.00 173.24 174.98 2dig s ARG 11 N 0.34 4.14 0.47 12.44 3.52 -1.26 -4.85 118.95 133.75 2dig s ARG 11 Ca -0.03 2.54 0.28 0.00 -0.13 0.00 0.00 55.73 58.39 2dig s ARG 11 Cb -0.04 -3.06 1.34 0.00 -1.56 0.00 0.00 34.95 31.63 2dig s ARG 11 CO -0.01 -0.65 1.77 -0.22 -0.81 0.00 0.00 175.30 175.38 2dig h LYS 12 N 5.69 0.18 -3.77 5.12 3.64 -2.00 -3.34 116.57 122.09 2dig h LYS 12 Ca -0.45 -0.01 -0.50 0.00 -1.27 0.00 0.00 60.65 58.42 2dig h LYS 12 Cb 1.21 -0.04 -0.39 0.00 -0.41 0.00 0.00 32.23 32.60 2dig h LYS 12 CO 0.86 0.12 -0.77 -0.06 -2.27 0.00 0.00 179.45 177.33 2dig s PHE 13 N -5.23 1.10 1.13 1.91 0.08 -1.26 -4.93 117.98 110.79 2dig s PHE 13 Ca -0.07 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.16 2dig s PHE 13 Cb 0.25 -1.04 0.27 0.00 -0.57 0.00 0.00 43.02 41.93 2dig s PHE 13 CO 0.80 -0.52 1.04 0.00 -0.10 0.00 0.00 175.22 176.45 2dig s ALA 14 N 1.83 -0.22 0.11 5.36 0.00 -1.26 -4.95 121.76 122.63 2dig s ALA 14 Ca 0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2dig s ALA 14 Cb -0.15 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 2dig s ALA 14 CO -0.07 -3.68 1.14 0.16 0.00 0.00 0.00 175.76 173.30 2dig s ASP 15 N -2.65 7.18 0.00 0.00 1.47 -1.26 -3.05 116.67 118.36 2dig s ASP 15 Ca 0.68 2.02 0.00 0.00 1.18 0.00 0.00 52.55 56.43 2dig s ASP 15 Cb -0.24 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.75 2dig s ASP 15 CO 0.63 -0.35 0.00 0.61 0.68 0.00 0.00 175.17 176.75 2dig n GLY 16 N 2.68 2.97 3.51 2.12 0.00 0.10 -4.96 105.19 111.61 2dig n GLY 16 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2dig n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dig n GLU 17 N -1.77 0.84 -3.13 1.61 4.07 -1.17 -4.14 120.64 116.94 2dig n GLU 17 Ca 0.00 0.30 -0.45 0.00 -0.06 0.00 0.00 57.16 56.95 2dig n GLU 17 Cb 0.00 -1.58 -0.03 0.00 -0.06 0.00 0.00 31.44 29.77 2dig n GLU 17 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2dig s VAL 18 N -1.18 5.03 0.37 6.31 1.01 -1.26 -0.99 120.40 129.68 2dig s VAL 18 Ca 0.61 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2dig s VAL 18 Cb -0.71 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.14 2dig s VAL 18 CO 0.58 -1.18 0.20 1.33 0.00 0.00 0.00 175.10 176.03 2dig n VAL 19 N 5.10 0.00 -4.44 2.92 0.24 0.52 -4.90 118.33 117.77 2dig n VAL 19 Ca 0.05 -1.52 -0.34 0.00 -2.04 0.00 0.00 64.34 60.49 2dig n VAL 19 Cb 0.45 -0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 32.66 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 3.54 0.03 7.34 0.52 -1.17 0.72 118.95 126.47 2dig s ARG 20 Ca 0.15 -0.52 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 2dig s ARG 20 Cb -0.01 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2dig s ARG 20 CO 0.10 0.31 -0.26 0.20 0.02 0.00 0.00 175.30 175.67 2dig s GLY 21 N 0.17 1.35 -0.58 -3.53 0.00 -0.12 -1.98 107.32 102.64 2dig s GLY 21 Ca -0.02 -1.22 -0.23 0.00 0.00 0.00 0.00 44.72 43.25 2dig s GLY 21 CO 0.03 -1.09 0.89 -1.60 0.00 0.00 0.00 173.10 171.33 2dig s ARG 22 N -1.09 3.22 0.14 2.90 3.52 -1.12 -1.32 118.95 125.21 2dig s ARG 22 Ca 0.11 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 54.95 2dig s ARG 22 Cb -0.10 -4.12 -0.13 0.00 -1.56 0.00 0.00 34.95 29.05 2dig s ARG 22 CO 0.01 -1.54 0.40 1.87 -0.81 0.00 0.00 175.30 175.23 2dig n TRP 23 N 7.29 -0.32 0.98 5.12 -0.00 -1.17 -4.73 117.44 124.61 2dig n TRP 23 Ca -0.02 0.71 0.06 0.00 -0.00 0.00 0.00 57.50 58.26 2dig n TRP 23 Cb 0.46 -1.43 0.37 0.00 -0.00 0.00 0.00 31.31 30.70 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 0.75 0.49 0.00 5.87 -0.04 -1.26 -3.20 135.00 137.61 2dig n PRO 24 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2dig n PRO 24 Cb 0.18 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.02 0.00 3.91 0.55 0.00 -1.26 -5.09 105.19 103.28 2dig n GLY 25 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.14 5.13 -0.36 1.61 0.15 -1.19 -5.03 113.70 110.86 2dig s SER 26 Ca 0.00 -0.74 0.07 0.00 0.70 0.00 0.00 55.95 55.98 2dig s SER 26 Cb 0.00 -0.44 0.59 0.00 -1.71 0.00 0.00 66.02 64.46 2dig s SER 26 CO 0.00 -0.76 1.67 -1.54 1.20 0.00 0.00 173.24 173.81 2dig n SER 27 N -1.67 3.17 -4.42 5.45 3.41 -1.26 -4.12 113.62 114.19 2dig n SER 27 Ca 0.05 -3.66 -0.32 0.00 -0.26 0.00 0.00 58.87 54.68 2dig n SER 27 Cb 0.61 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dig s LEU 28 N -3.24 2.60 -0.17 1.04 1.43 -1.26 -5.02 118.68 114.06 2dig s LEU 28 Ca 0.50 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 2dig s LEU 28 Cb 0.44 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2dig s LEU 28 CO 0.05 0.29 0.53 -0.31 0.23 0.00 0.00 176.35 177.15 2dig s TYR 29 N -0.43 3.42 0.20 0.29 1.51 -1.26 -3.07 117.35 118.02 2dig s TYR 29 Ca 0.05 0.86 0.09 0.00 -1.01 0.00 0.00 57.07 57.06 2dig s TYR 29 Cb -0.12 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 2dig s TYR 29 CO 0.02 -0.03 -0.09 0.71 -1.11 0.00 0.00 175.55 175.05 2dig s TYR 30 N 1.35 2.61 -0.58 2.71 2.02 -0.43 -4.84 117.35 120.18 2dig s TYR 30 Ca 0.26 -0.23 -0.27 0.00 -0.37 0.00 0.00 57.07 56.46 2dig s TYR 30 Cb -0.16 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 2dig s TYR 30 CO 0.10 0.54 1.73 -2.00 -1.57 0.00 0.00 175.55 174.35 2dig s GLU 31 N -3.01 2.88 0.24 -0.62 2.12 -1.26 -0.95 118.70 118.10 2dig s GLU 31 Ca 0.26 0.61 0.12 0.00 0.36 0.00 0.00 54.97 56.32 2dig s GLU 31 Cb -0.08 -4.30 -0.05 0.00 0.26 0.00 0.00 34.13 29.96 2dig s GLU 31 CO 0.16 -2.44 -0.22 0.14 -0.54 0.00 0.00 175.26 172.36 2dig s VAL 32 N 8.01 2.42 0.06 3.70 -7.23 0.22 -4.51 120.40 123.07 2dig s VAL 32 Ca 0.63 -2.24 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2dig s VAL 32 Cb -0.13 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2dig s VAL 32 CO 0.23 -0.27 0.09 -0.70 -0.31 0.00 0.00 175.10 174.13 2dig s GLU 33 N -3.14 2.98 -0.07 4.82 2.12 -0.41 -0.36 118.70 124.64 2dig s GLU 33 Ca 0.26 -0.62 -0.26 0.00 0.36 0.00 0.00 54.97 54.72 2dig s GLU 33 Cb -0.06 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 2dig s GLU 33 CO 0.13 0.59 0.81 0.42 -0.54 0.00 0.00 175.26 176.67 2dig s ILE 34 N -1.36 4.96 -0.07 -3.70 -1.09 -0.17 -0.75 121.20 119.03 2dig s ILE 34 Ca 0.28 1.66 -0.09 0.00 -2.23 0.00 0.00 60.65 60.27 2dig s ILE 34 Cb -0.12 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2dig s ILE 34 CO 0.21 0.17 -0.19 0.18 -1.23 0.00 0.00 174.94 174.08 2dig n LEU 35 N 4.19 1.48 -4.13 2.97 4.77 0.38 0.01 117.00 126.66 2dig n LEU 35 Ca 0.02 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2dig n LEU 35 Cb 0.51 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2dig n LEU 35 CO 0.49 -0.37 0.04 -0.44 -1.33 0.00 0.00 177.39 175.78 2dig s SER 36 N -6.01 0.77 0.09 -1.43 0.01 -0.98 -4.75 113.70 101.41 2dig s SER 36 Ca -0.16 -1.44 -0.16 0.00 1.31 0.00 0.00 55.95 55.50 2dig s SER 36 Cb 0.03 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.88 2dig s SER 36 CO 0.24 -1.16 0.39 -2.28 0.41 0.00 0.00 173.24 170.84 2dig s HIS 37 N -3.45 -0.20 -0.01 2.43 2.46 -1.26 -0.72 115.29 114.53 2dig s HIS 37 Ca 0.33 -0.02 0.02 0.00 0.47 0.00 0.00 55.06 55.85 2dig s HIS 37 Cb 0.01 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 2dig s HIS 37 CO 0.19 -0.64 -0.07 0.34 -2.47 0.00 0.00 174.74 172.08 2dig s ASP 38 N -2.52 0.91 0.08 9.88 2.15 -1.16 -4.99 116.67 121.03 2dig s ASP 38 Ca 0.00 -0.14 0.18 0.00 0.43 0.00 0.00 52.55 53.02 2dig s ASP 38 Cb 0.01 -0.18 -0.11 0.00 -0.30 0.00 0.00 42.92 42.33 2dig s ASP 38 CO -0.08 0.06 0.85 -1.54 -0.17 0.00 0.00 175.17 174.29 2dig n SER 39 N 3.15 0.85 0.03 -0.34 3.41 -1.26 -1.33 113.62 118.12 2dig n SER 39 Ca -0.16 0.37 -0.12 0.00 -0.26 0.00 0.00 58.87 58.70 2dig n SER 39 Cb 0.56 0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 64.60 2dig n SER 39 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2dig h THR 40 N 0.00 1.14 0.00 6.66 2.02 -1.99 -3.36 112.91 117.38 2dig h THR 40 Ca -0.14 -2.88 -0.05 0.00 0.77 0.00 0.00 66.41 64.11 2dig h THR 40 Cb 1.48 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 70.52 2dig h THR 40 CO 0.04 0.74 -1.95 -1.20 0.37 0.00 0.00 175.52 173.52 2dig n SER 41 N -3.28 0.10 -2.98 4.18 7.64 -1.26 -4.99 113.62 113.03 2dig n SER 41 Ca -0.14 0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.56 2dig n SER 41 Cb 1.02 1.68 0.03 0.00 -1.01 0.00 0.00 64.21 65.93 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 -2.38 -4.52 -4.48 1.43 1.13 -0.45 -4.98 117.38 103.14 2dig n GLN 42 Ca -0.08 0.89 -0.31 0.00 -1.94 0.00 0.00 57.00 55.57 2dig n GLN 42 Cb 0.65 -5.73 -0.16 0.00 0.11 0.00 0.00 30.24 25.11 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 -6.62 1.97 -0.19 1.08 1.43 -1.23 -3.60 118.68 111.52 2dig s LEU 43 Ca 0.28 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 2dig s LEU 43 Cb -0.13 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2dig s LEU 43 CO 0.35 0.04 0.42 -0.31 0.23 0.00 0.00 176.35 177.08 2dig s TYR 44 N 0.99 3.40 -0.62 0.29 1.51 -0.18 -2.97 117.35 119.77 2dig s TYR 44 Ca -0.04 0.68 -0.23 0.00 -1.01 0.00 0.00 57.07 56.46 2dig s TYR 44 Cb -0.15 -2.54 0.05 0.00 -0.11 0.00 0.00 41.96 39.21 2dig s TYR 44 CO -0.04 0.01 0.97 0.99 -1.11 0.00 0.00 175.55 176.37 2dig s THR 45 N 1.23 4.32 0.12 -0.71 2.01 0.10 -1.47 115.64 121.24 2dig s THR 45 Ca 0.21 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2dig s THR 45 Cb -0.15 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.69 2dig s THR 45 CO 0.08 -1.33 0.03 0.68 -0.69 0.00 0.00 174.62 173.40 2dig s VAL 46 N 4.10 4.10 -0.08 3.82 -7.23 -0.97 -0.47 120.40 123.66 2dig s VAL 46 Ca 0.26 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2dig s VAL 46 Cb -0.14 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 2dig s VAL 46 CO 0.14 0.04 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.04 2dig s LYS 47 N -2.58 2.81 0.60 4.82 2.20 0.07 -2.00 119.74 125.67 2dig s LYS 47 Ca 0.27 -0.78 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2dig s LYS 47 Cb -0.11 -2.37 0.06 0.00 -1.51 0.00 0.00 37.83 33.89 2dig s LYS 47 CO 0.20 0.39 0.85 0.71 -0.36 0.00 0.00 175.35 177.14 2dig s TYR 48 N -0.15 2.60 0.08 4.03 1.51 0.49 -1.29 117.35 124.62 2dig s TYR 48 Ca -0.02 -0.01 -0.35 0.00 -1.01 0.00 0.00 57.07 55.68 2dig s TYR 48 Cb -0.14 -2.86 -0.17 0.00 -0.11 0.00 0.00 41.96 38.69 2dig s TYR 48 CO 0.04 -1.11 1.54 0.87 -1.11 0.00 0.00 175.55 175.78 2dig h LYS 49 N -0.13 -0.94 -1.45 -0.62 6.56 -1.90 -1.12 116.57 116.97 2dig h LYS 49 Ca -0.41 0.06 0.42 0.00 -1.06 0.00 0.00 60.65 59.66 2dig h LYS 49 Cb 1.29 0.21 -0.06 0.00 -0.57 0.00 0.00 32.23 33.11 2dig h LYS 49 CO 0.51 -0.63 1.13 -0.44 -2.06 0.00 0.00 179.45 177.96 2dig h ASP 50 N -0.98 0.00 0.00 0.86 5.19 -1.98 -3.43 116.42 116.08 2dig h ASP 50 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2dig h ASP 50 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 2dig h ASP 50 CO -0.07 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.66 2dig n GLY 51 N -1.81 1.54 3.72 2.75 0.00 -0.42 -5.12 105.19 105.84 2dig n GLY 51 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 4.47 -0.14 2.61 2.01 -1.25 -4.86 115.64 116.48 2dig s THR 52 Ca 0.00 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 2dig s THR 52 Cb 0.00 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 2dig s THR 52 CO 0.00 0.53 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.72 2dig s GLU 53 N -1.14 3.34 0.32 4.92 2.02 -1.26 -0.38 118.70 126.51 2dig s GLU 53 Ca 0.16 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.48 2dig s GLU 53 Cb -0.12 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2dig s GLU 53 CO 0.06 0.14 0.12 -0.51 0.02 0.00 0.00 175.26 175.09 2dig s LEU 54 N 0.53 1.80 -0.24 1.80 1.43 -0.85 -4.99 118.68 118.16 2dig s LEU 54 Ca -0.09 -1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 2dig s LEU 54 Cb -0.16 0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.10 2dig s LEU 54 CO 0.04 -0.82 -0.07 -1.61 0.23 0.00 0.00 176.35 174.12 2dig s GLU 55 N -3.86 2.86 -0.12 1.70 2.02 -1.26 -2.29 118.70 117.74 2dig s GLU 55 Ca 0.34 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.39 2dig s GLU 55 Cb 0.06 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.36 2dig s GLU 55 CO 0.16 -0.38 -0.17 -0.51 0.02 0.00 0.00 175.26 174.38 2dig s LEU 56 N 1.32 1.82 0.96 1.80 1.43 -0.54 -4.85 118.68 120.62 2dig s LEU 56 Ca 0.01 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 2dig s LEU 56 Cb -0.16 -1.18 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2dig s LEU 56 CO -0.05 0.03 0.39 0.29 0.23 0.00 0.00 176.35 177.24 2dig n LYS 57 N 4.18 -0.39 0.09 1.70 5.02 -1.26 -1.01 118.16 126.50 2dig n LYS 57 Ca -0.19 -0.07 0.18 0.00 -2.02 0.00 0.00 58.31 56.20 2dig n LYS 57 Cb 0.51 -1.85 0.72 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.61 0.00 0.16 1.97 4.81 -1.92 -1.36 114.58 116.63 2dig h GLU 58 Ca -0.44 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.55 2dig h GLU 58 Cb 1.29 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.69 2dig h GLU 58 CO 0.35 0.00 -1.02 -0.97 -0.73 0.00 0.00 179.01 176.63 2dig h ASN 59 N 0.00 0.62 -0.74 1.04 -0.73 -1.91 -3.27 115.58 110.59 2dig h ASN 59 Ca 0.17 -0.92 0.20 0.00 1.87 0.00 0.00 56.30 57.63 2dig h ASN 59 Cb 0.75 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 2dig h ASN 59 CO -0.00 1.49 0.53 0.44 -0.37 0.00 0.00 177.43 179.51 2dig h ASP 60 N -0.15 0.07 -3.18 1.15 5.19 -1.56 -3.40 116.42 114.54 2dig h ASP 60 Ca -0.17 0.01 -0.58 0.00 -0.62 0.00 0.00 57.03 55.66 2dig h ASP 60 Cb 1.79 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 41.25 2dig h ASP 60 CO 0.19 0.03 -0.17 -0.63 -3.12 0.00 0.00 179.24 175.55 2dig s ILE 61 N -5.07 4.98 -0.18 0.35 1.01 -1.06 -2.79 121.20 118.45 2dig s ILE 61 Ca -0.06 0.68 -0.19 0.00 0.00 0.00 0.00 60.65 61.08 2dig s ILE 61 Cb 0.21 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 39.03 2dig s ILE 61 CO 0.76 0.32 0.53 -1.59 0.00 0.00 0.00 174.94 174.96 2dig s LYS 62 N -1.78 0.66 0.38 2.79 -2.85 -0.84 -4.94 119.74 113.16 2dig s LYS 62 Ca 0.33 0.64 0.06 0.00 -1.00 0.00 0.00 55.97 56.00 2dig s LYS 62 Cb -0.15 0.32 -0.07 0.00 -2.06 0.00 0.00 37.83 35.87 2dig s LYS 62 CO 0.18 -0.10 0.02 -1.54 0.10 0.00 0.00 175.35 174.01 2dig s SER 63 N 0.05 3.36 0.00 0.03 1.04 -1.26 -3.07 113.70 113.85 2dig s SER 63 Ca -0.02 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2dig s SER 63 Cb -0.04 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2dig s SER 63 CO 0.02 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2dig n GLY 64 N -0.86 1.81 3.70 7.32 0.00 -1.26 -4.89 105.19 111.02 2dig n GLY 64 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.31 -0.11 1.61 0.04 -1.26 -4.97 135.00 134.62 2dig s PRO 65 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2dig s PRO 65 Cb 0.00 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2dig s PRO 65 CO 0.00 -0.49 1.31 -1.12 0.04 0.00 0.00 177.00 176.74 2dig s SER 66 N 1.44 6.92 0.13 6.66 0.01 -1.26 -4.93 113.70 122.67 2dig s SER 66 Ca 0.64 1.83 -0.19 0.00 1.31 0.00 0.00 55.95 59.54 2dig s SER 66 Cb -0.35 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.31 2dig s SER 66 CO 0.29 -0.74 1.73 -1.28 0.41 0.00 0.00 173.24 173.65 2dig h SER 67 N 8.16 -0.04 0.00 2.44 0.87 -1.93 -3.56 113.55 119.49 2dig h SER 67 Ca -0.31 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2dig h SER 67 Cb 1.13 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dig h SER 67 CO 0.94 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.86