#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 -0.45 0.16 1.61 0.15 -1.26 -5.15 113.70 108.77 2dig s SER 2 Ca 0.00 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.77 2dig s SER 2 Cb 0.00 0.38 -0.07 0.00 -1.71 0.00 0.00 66.02 64.62 2dig s SER 2 CO 0.00 -0.46 1.10 -0.44 1.20 0.00 0.00 173.24 174.64 2dig s SER 3 N -1.34 7.26 0.00 5.45 0.01 -1.26 -4.86 113.70 118.97 2dig s SER 3 Ca -0.03 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.29 2dig s SER 3 Cb -0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dig s SER 3 CO 0.02 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dig n GLY 4 N 2.15 -0.43 3.48 3.44 0.00 -1.26 -5.09 105.19 107.48 2dig n GLY 4 Ca 0.03 -0.43 -0.54 0.00 0.00 0.00 0.00 46.02 45.09 2dig n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dig n SER 5 N 0.00 2.01 -3.27 1.61 3.41 -1.26 -4.90 113.62 111.22 2dig n SER 5 Ca 0.00 0.62 -0.03 0.00 -0.26 0.00 0.00 58.87 59.20 2dig n SER 5 Cb 0.00 -1.18 -0.05 0.00 -0.26 0.00 0.00 64.21 62.72 2dig n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dig s SER 6 N 6.19 -0.52 0.29 4.04 0.15 -1.26 -5.12 113.70 117.47 2dig s SER 6 Ca 1.08 0.55 0.05 0.00 0.70 0.00 0.00 55.95 58.34 2dig s SER 6 Cb -1.00 1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2dig s SER 6 CO 0.56 -0.28 0.42 -0.83 1.20 0.00 0.00 173.24 174.31 2dig s GLY 7 N 2.69 1.36 0.72 9.45 0.00 -1.26 -5.07 107.32 115.21 2dig s GLY 7 Ca 0.16 -1.27 -0.16 0.00 0.00 0.00 0.00 44.72 43.44 2dig s GLY 7 CO -0.18 -1.24 0.48 1.03 0.00 0.00 0.00 173.10 173.18 2dig n MET 8 N -1.54 0.29 0.00 2.90 2.81 -1.26 -4.81 117.12 115.50 2dig n MET 8 Ca -0.05 0.13 0.08 0.00 -1.81 0.00 0.00 57.70 56.05 2dig n MET 8 Cb 0.57 -1.78 0.46 0.00 -0.71 0.00 0.00 33.22 31.77 2dig n MET 8 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2dig n PRO 9 N -0.57 0.49 -3.72 0.03 -0.04 -1.26 -4.07 135.00 125.85 2dig n PRO 9 Ca 0.10 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 2dig n PRO 9 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.00 3.61 0.11 3.54 0.01 -1.26 -5.05 113.70 112.66 2dig s SER 10 Ca 0.23 -3.07 0.10 0.00 1.31 0.00 0.00 55.95 54.52 2dig s SER 10 Cb 0.11 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 2dig s SER 10 CO 0.18 -0.20 -0.26 -0.60 0.41 0.00 0.00 173.24 172.78 2dig s ARG 11 N -0.24 1.41 0.41 12.44 3.52 -1.26 -5.00 118.95 130.23 2dig s ARG 11 Ca 0.22 -1.26 0.30 0.00 -0.13 0.00 0.00 55.73 54.86 2dig s ARG 11 Cb -0.14 -1.80 1.39 0.00 -1.56 0.00 0.00 34.95 32.83 2dig s ARG 11 CO -0.08 0.43 1.46 1.17 -0.81 0.00 0.00 175.30 177.47 2dig n LYS 12 N 1.12 -0.03 -3.74 5.12 4.81 -1.26 -3.82 118.16 120.35 2dig n LYS 12 Ca -0.18 1.17 -0.23 0.00 -0.87 0.00 0.00 58.31 58.20 2dig n LYS 12 Cb 0.53 -2.30 -0.17 0.00 0.02 0.00 0.00 35.03 33.10 2dig n LYS 12 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2dig s PHE 13 N -5.14 0.57 0.46 5.64 0.08 -1.26 -5.03 117.98 113.29 2dig s PHE 13 Ca -0.07 -0.17 -0.22 0.00 0.12 0.00 0.00 56.93 56.59 2dig s PHE 13 Cb 0.29 -0.76 -0.08 0.00 -0.57 0.00 0.00 43.02 41.90 2dig s PHE 13 CO 0.76 -0.34 1.08 0.00 -0.10 0.00 0.00 175.22 176.62 2dig s ALA 14 N 2.01 2.94 -0.10 5.36 0.00 -1.25 -4.93 121.76 125.79 2dig s ALA 14 Ca 0.04 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2dig s ALA 14 Cb -0.13 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 2dig s ALA 14 CO -0.05 -0.40 2.11 -0.25 0.00 0.00 0.00 175.76 177.17 2dig n ASP 15 N -0.61 3.66 0.00 0.00 8.00 -1.26 -0.80 116.55 125.54 2dig n ASP 15 Ca 0.08 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2dig n ASP 15 Cb 0.50 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2dig n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dig n GLY 16 N 5.23 1.59 3.76 0.44 0.00 -0.03 -5.02 105.19 111.15 2dig n GLY 16 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.88 3.66 -0.51 1.61 2.12 0.02 -4.54 118.70 120.17 2dig s GLU 17 Ca 0.00 2.17 -0.20 0.00 0.36 0.00 0.00 54.97 57.30 2dig s GLU 17 Cb 0.00 -2.55 0.05 0.00 0.26 0.00 0.00 34.13 31.90 2dig s GLU 17 CO 0.00 -0.75 0.68 0.08 -0.54 0.00 0.00 175.26 174.73 2dig s VAL 18 N -1.30 4.78 0.30 3.70 1.01 -1.26 -1.70 120.40 125.92 2dig s VAL 18 Ca 0.63 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2dig s VAL 18 Cb -0.38 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 31.65 2dig s VAL 18 CO 0.48 -0.86 0.03 1.33 0.00 0.00 0.00 175.10 176.08 2dig n VAL 19 N 5.73 0.00 -4.48 2.92 0.24 0.16 -4.95 118.33 117.95 2dig n VAL 19 Ca -0.05 -1.50 -0.34 0.00 -2.04 0.00 0.00 64.34 60.42 2dig n VAL 19 Cb 0.46 0.38 -0.12 0.00 -1.47 0.00 0.00 33.84 33.09 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 -3.09 3.30 -0.02 7.34 0.52 -0.84 0.06 118.95 126.22 2dig s ARG 20 Ca 0.04 -0.52 0.08 0.00 -0.52 0.00 0.00 55.73 54.81 2dig s ARG 20 Cb 0.00 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 2dig s ARG 20 CO 0.03 0.43 -0.26 0.20 0.02 0.00 0.00 175.30 175.72 2dig s GLY 21 N -0.15 1.27 -0.61 -3.53 0.00 -0.67 -0.41 107.32 103.22 2dig s GLY 21 Ca 0.03 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.37 2dig s GLY 21 CO 0.03 -0.92 1.09 -1.60 0.00 0.00 0.00 173.10 171.70 2dig s ARG 22 N -0.59 3.34 0.16 2.90 3.52 -0.77 -1.98 118.95 125.52 2dig s ARG 22 Ca 0.09 -0.15 -0.24 0.00 -0.13 0.00 0.00 55.73 55.30 2dig s ARG 22 Cb -0.10 -4.08 -0.14 0.00 -1.56 0.00 0.00 34.95 29.06 2dig s ARG 22 CO -0.01 -1.71 0.46 1.87 -0.81 0.00 0.00 175.30 175.10 2dig n TRP 23 N 8.16 -0.36 0.96 5.12 -0.00 -0.94 -4.75 117.44 125.64 2dig n TRP 23 Ca 0.04 0.81 0.08 0.00 -0.00 0.00 0.00 57.50 58.43 2dig n TRP 23 Cb 0.48 -1.64 0.46 0.00 -0.00 0.00 0.00 31.31 30.61 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 0.86 0.48 -0.00 5.87 -0.04 -1.26 -3.08 135.00 137.82 2dig n PRO 24 Ca 0.15 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2dig n PRO 24 Cb 0.20 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.02 3.56 0.55 0.00 -1.26 -5.07 105.19 102.93 2dig n GLY 25 Ca 0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.61 4.13 -0.22 1.61 0.15 -1.18 -5.02 113.70 109.56 2dig s SER 26 Ca -0.01 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 55.89 2dig s SER 26 Cb 0.00 -0.62 0.34 0.00 -1.71 0.00 0.00 66.02 64.03 2dig s SER 26 CO 0.02 0.04 1.44 -1.54 1.20 0.00 0.00 173.24 174.40 2dig n SER 27 N -0.60 3.37 -4.62 5.45 3.41 -1.26 -3.73 113.62 115.65 2dig n SER 27 Ca -0.07 -2.78 -0.31 0.00 -0.26 0.00 0.00 58.87 55.45 2dig n SER 27 Cb 0.59 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.63 3.22 -0.12 1.04 1.43 -1.26 -4.99 118.68 116.38 2dig s LEU 28 Ca 0.28 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 2dig s LEU 28 Cb 0.24 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2dig s LEU 28 CO 0.06 0.22 0.07 -0.31 0.23 0.00 0.00 176.35 176.61 2dig s TYR 29 N -1.16 3.36 0.19 0.29 1.51 -1.26 -2.22 117.35 118.06 2dig s TYR 29 Ca 0.21 0.32 0.07 0.00 -1.01 0.00 0.00 57.07 56.66 2dig s TYR 29 Cb -0.11 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 2dig s TYR 29 CO 0.13 0.53 -0.14 0.71 -1.11 0.00 0.00 175.55 175.67 2dig s TYR 30 N -0.74 1.62 -0.40 2.71 2.02 -0.84 -4.88 117.35 116.84 2dig s TYR 30 Ca 0.12 -0.60 -0.28 0.00 -0.37 0.00 0.00 57.07 55.94 2dig s TYR 30 Cb -0.12 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2dig s TYR 30 CO 0.03 0.30 1.72 -2.00 -1.57 0.00 0.00 175.55 174.02 2dig s GLU 31 N -3.57 3.27 0.21 -0.62 2.12 -1.26 -1.67 118.70 117.18 2dig s GLU 31 Ca 0.20 1.16 0.04 0.00 0.36 0.00 0.00 54.97 56.74 2dig s GLU 31 Cb -0.01 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.14 2dig s GLU 31 CO 0.06 -1.94 -0.05 0.14 -0.54 0.00 0.00 175.26 172.93 2dig s VAL 32 N 6.91 1.20 0.15 3.70 -7.23 0.11 -4.59 120.40 120.65 2dig s VAL 32 Ca 0.73 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 2dig s VAL 32 Cb -0.19 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2dig s VAL 32 CO 0.31 -0.45 0.04 -0.70 -0.31 0.00 0.00 175.10 173.99 2dig s GLU 33 N -3.80 2.61 -0.23 4.82 2.12 -0.90 -0.67 118.70 122.65 2dig s GLU 33 Ca 0.25 -0.95 -0.19 0.00 0.36 0.00 0.00 54.97 54.44 2dig s GLU 33 Cb 0.04 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 2dig s GLU 33 CO 0.07 0.49 0.54 0.42 -0.54 0.00 0.00 175.26 176.23 2dig s ILE 34 N -1.62 5.07 -0.22 -3.70 -1.09 -0.69 -1.46 121.20 117.49 2dig s ILE 34 Ca 0.28 0.96 -0.16 0.00 -2.23 0.00 0.00 60.65 59.50 2dig s ILE 34 Cb -0.10 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 2dig s ILE 34 CO 0.20 0.12 -0.34 0.18 -1.23 0.00 0.00 174.94 173.87 2dig n LEU 35 N 5.22 1.94 0.00 2.97 4.77 0.23 -0.85 117.00 131.28 2dig n LEU 35 Ca -0.04 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 2dig n LEU 35 Cb 0.50 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2dig n LEU 35 CO 0.41 0.12 0.19 -1.20 -1.33 0.00 0.00 177.39 175.58 2dig n SER 36 N -4.37 -1.26 -3.97 -1.43 7.64 -1.09 -4.74 113.62 104.39 2dig n SER 36 Ca -0.33 -2.53 -0.12 0.00 1.01 0.00 0.00 58.87 56.90 2dig n SER 36 Cb 0.68 2.30 -0.13 0.00 -1.01 0.00 0.00 64.21 66.06 2dig n SER 36 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2dig s HIS 37 N -3.29 0.36 -0.52 1.43 2.46 -1.26 -1.53 115.29 112.94 2dig s HIS 37 Ca 0.22 -0.30 -0.01 0.00 0.47 0.00 0.00 55.06 55.44 2dig s HIS 37 Cb -0.01 -0.23 0.13 0.00 -0.13 0.00 0.00 32.58 32.34 2dig s HIS 37 CO 0.16 -0.08 0.30 0.34 -2.47 0.00 0.00 174.74 173.00 2dig s ASP 38 N -0.86 5.05 0.60 9.88 2.15 0.29 -4.93 116.67 128.84 2dig s ASP 38 Ca -0.07 -2.57 0.31 0.00 0.43 0.00 0.00 52.55 50.66 2dig s ASP 38 Cb -0.06 -1.79 1.88 0.00 -0.30 0.00 0.00 42.92 42.65 2dig s ASP 38 CO -0.00 -0.40 2.25 0.77 -0.17 0.00 0.00 175.17 177.62 2dig h SER 39 N 7.30 0.00 0.74 -0.34 4.64 -1.94 0.95 113.55 124.91 2dig h SER 39 Ca -0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2dig h SER 39 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2dig h SER 39 CO 0.69 0.00 -0.42 0.74 -0.87 0.00 0.00 176.83 176.96 2dig h THR 40 N 0.00 0.15 -0.18 2.95 2.02 -1.94 -3.26 112.91 112.65 2dig h THR 40 Ca 0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2dig h THR 40 Cb 0.05 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 2dig h THR 40 CO -0.00 0.00 -0.15 -1.20 0.37 0.00 0.00 175.52 174.54 2dig n SER 41 N -5.57 2.53 -3.28 4.18 7.64 -1.06 -4.95 113.62 113.10 2dig n SER 41 Ca -0.14 -3.52 -0.19 0.00 1.01 0.00 0.00 58.87 56.02 2dig n SER 41 Cb 0.45 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.07 -2.55 -3.70 1.43 3.00 0.32 -4.89 117.38 109.92 2dig n GLN 42 Ca 0.24 0.26 -0.36 0.00 -0.01 0.00 0.00 57.00 57.13 2dig n GLN 42 Cb 0.84 -4.86 -0.09 0.00 0.00 0.00 0.00 30.24 26.14 2dig n GLN 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2dig s LEU 43 N -6.11 4.18 -0.14 1.08 1.43 -0.60 -2.32 118.68 116.19 2dig s LEU 43 Ca 0.34 0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2dig s LEU 43 Cb -0.19 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2dig s LEU 43 CO 0.42 0.13 0.09 -0.31 0.23 0.00 0.00 176.35 176.91 2dig s TYR 44 N 0.63 3.40 -0.50 0.29 1.51 -0.45 0.11 117.35 122.33 2dig s TYR 44 Ca 0.08 0.33 -0.19 0.00 -1.01 0.00 0.00 57.07 56.28 2dig s TYR 44 Cb -0.12 -1.97 0.06 0.00 -0.11 0.00 0.00 41.96 39.82 2dig s TYR 44 CO 0.01 0.48 0.62 0.99 -1.11 0.00 0.00 175.55 176.54 2dig s THR 45 N -0.48 4.88 0.19 -0.71 2.01 -0.58 -0.99 115.64 119.96 2dig s THR 45 Ca 0.11 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.68 2dig s THR 45 Cb -0.12 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2dig s THR 45 CO 0.02 -0.80 0.09 0.68 -0.69 0.00 0.00 174.62 173.92 2dig s VAL 46 N 2.62 4.14 -0.07 3.82 -7.23 -0.96 -0.60 120.40 122.11 2dig s VAL 46 Ca 0.15 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.04 2dig s VAL 46 Cb -0.19 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 2dig s VAL 46 CO 0.12 -0.17 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.82 2dig s LYS 47 N -3.21 2.76 0.33 4.82 2.20 -0.54 -2.49 119.74 123.61 2dig s LYS 47 Ca 0.30 -0.74 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 2dig s LYS 47 Cb -0.09 -2.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.82 2dig s LYS 47 CO 0.22 0.45 0.49 0.71 -0.36 0.00 0.00 175.35 176.86 2dig s TYR 48 N -0.29 3.28 0.57 4.03 1.51 -0.04 -2.12 117.35 124.29 2dig s TYR 48 Ca 0.02 0.00 0.27 0.00 -1.01 0.00 0.00 57.07 56.34 2dig s TYR 48 Cb -0.13 -1.93 1.67 0.00 -0.11 0.00 0.00 41.96 41.46 2dig s TYR 48 CO 0.03 0.06 2.20 -0.22 -1.11 0.00 0.00 175.55 176.51 2dig h LYS 49 N 0.85 0.00 -0.71 -0.62 1.63 -1.91 0.78 116.57 116.60 2dig h LYS 49 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2dig h LYS 49 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2dig h LYS 49 CO 0.57 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.17 2dig n ASP 50 N -4.00 1.96 -3.31 4.20 5.68 -1.26 -4.88 116.55 114.94 2dig n ASP 50 Ca -0.02 -2.18 -0.16 0.00 -0.50 0.00 0.00 54.79 51.93 2dig n ASP 50 Cb 0.14 -0.44 0.08 0.00 -1.14 0.00 0.00 41.12 39.76 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dig n GLY 51 N 0.34 -0.57 3.12 6.12 0.00 0.27 -5.02 105.19 109.44 2dig n GLY 51 Ca 0.07 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.36 1.53 -0.21 2.61 2.01 -1.23 -4.91 115.64 112.08 2dig s THR 52 Ca 0.13 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 2dig s THR 52 Cb -0.02 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 2dig s THR 52 CO 0.71 0.44 -0.02 -1.61 -0.69 0.00 0.00 174.62 173.45 2dig s GLU 53 N 0.40 3.48 0.29 4.92 2.02 -1.26 -0.86 118.70 127.69 2dig s GLU 53 Ca -0.13 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.30 2dig s GLU 53 Cb -0.16 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.98 2dig s GLU 53 CO 0.05 -0.11 0.09 -0.51 0.02 0.00 0.00 175.26 174.79 2dig s LEU 54 N 1.29 1.87 -0.28 1.80 1.43 -1.04 -4.98 118.68 118.77 2dig s LEU 54 Ca 0.04 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.70 2dig s LEU 54 Cb -0.14 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 45.97 2dig s LEU 54 CO -0.01 -0.70 -0.01 -1.61 0.23 0.00 0.00 176.35 174.26 2dig s GLU 55 N -3.95 2.77 -0.14 1.70 2.02 -1.26 -2.27 118.70 117.57 2dig s GLU 55 Ca 0.37 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.34 2dig s GLU 55 Cb 0.08 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 31.17 2dig s GLU 55 CO 0.15 -0.48 -0.21 -0.51 0.02 0.00 0.00 175.26 174.23 2dig s LEU 56 N 1.35 2.17 0.89 1.80 1.43 -0.16 -4.82 118.68 121.33 2dig s LEU 56 Ca -0.01 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2dig s LEU 56 Cb -0.18 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2dig s LEU 56 CO -0.02 0.08 0.54 0.29 0.23 0.00 0.00 176.35 177.47 2dig n LYS 57 N 4.06 -0.12 -0.04 1.70 5.02 -1.26 -1.34 118.16 126.17 2dig n LYS 57 Ca -0.20 0.01 0.22 0.00 -2.02 0.00 0.00 58.31 56.32 2dig n LYS 57 Cb 0.52 -1.92 0.69 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.25 0.02 0.03 1.97 4.81 -1.82 -1.39 114.58 116.96 2dig h GLU 58 Ca -0.44 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.70 2dig h GLU 58 Cb 1.30 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.68 2dig h GLU 58 CO 0.37 0.01 -0.38 -0.91 -0.73 0.00 0.00 179.01 177.38 2dig h ASN 59 N 0.02 0.28 -0.25 1.04 4.21 -1.88 -3.23 115.58 115.77 2dig h ASN 59 Ca 0.29 -0.86 0.07 0.00 1.21 0.00 0.00 56.30 57.01 2dig h ASN 59 Cb 1.14 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 2dig h ASN 59 CO -0.01 1.11 0.34 0.44 -1.29 0.00 0.00 177.43 178.02 2dig h ASP 60 N -0.52 0.00 -3.27 5.81 5.19 -1.59 -3.39 116.42 118.65 2dig h ASP 60 Ca -0.06 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.77 2dig h ASP 60 Cb 1.20 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.63 2dig h ASP 60 CO 0.07 0.00 -0.21 -0.63 -3.12 0.00 0.00 179.24 175.36 2dig s ILE 61 N -4.49 5.21 0.41 0.35 1.01 -0.91 -1.84 121.20 120.93 2dig s ILE 61 Ca -0.04 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.48 2dig s ILE 61 Cb 0.14 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 2dig s ILE 61 CO 0.48 0.38 0.02 -0.54 0.00 0.00 0.00 174.94 175.28 2dig s LYS 62 N 0.34 1.97 0.14 2.79 -0.14 0.45 -4.93 119.74 120.37 2dig s LYS 62 Ca 0.23 -2.10 -0.25 0.00 -1.36 0.00 0.00 55.97 52.49 2dig s LYS 62 Cb -0.15 -1.65 0.07 0.00 -1.68 0.00 0.00 37.83 34.42 2dig s LYS 62 CO 0.09 -0.05 1.00 0.45 -0.76 0.00 0.00 175.35 176.07 2dig s SER 63 N -3.72 -0.15 0.12 2.83 0.15 -1.26 -1.99 113.70 109.68 2dig s SER 63 Ca 0.35 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.61 2dig s SER 63 Cb 0.10 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2dig s SER 63 CO 0.18 -0.86 0.04 0.61 1.20 0.00 0.00 173.24 174.41 2dig n GLY 64 N -0.49 3.86 3.75 9.45 0.00 -1.26 -5.07 105.19 115.44 2dig n GLY 64 Ca -0.06 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.47 1.99 -0.29 1.61 0.04 -1.26 -4.88 135.00 129.74 2dig s PRO 65 Ca 0.06 1.08 -0.33 0.00 0.04 0.00 0.00 61.00 61.85 2dig s PRO 65 Cb 0.00 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2dig s PRO 65 CO 0.04 -1.80 2.19 0.45 0.04 0.00 0.00 177.00 177.92 2dig n SER 66 N -3.62 2.57 -4.72 6.66 2.88 -1.26 -4.90 113.62 111.24 2dig n SER 66 Ca 0.09 0.35 -0.42 0.00 -1.33 0.00 0.00 58.87 57.56 2dig n SER 66 Cb 0.54 -1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 2dig n SER 66 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dig s SER 67 N 7.59 7.06 0.00 -3.46 0.01 -1.26 -5.36 113.70 118.28 2dig s SER 67 Ca 1.06 2.06 0.00 0.00 1.31 0.00 0.00 55.95 60.38 2dig s SER 67 Cb -0.66 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 62.98 2dig s SER 67 CO 0.44 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.23