#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 0.59 -0.84 1.61 0.15 -1.26 -5.10 113.70 108.85 2dig s SER 2 Ca 0.00 0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.90 2dig s SER 2 Cb 0.00 0.57 0.19 0.00 -1.71 0.00 0.00 66.02 65.07 2dig s SER 2 CO 0.00 -0.25 0.86 -0.55 1.20 0.00 0.00 173.24 174.50 2dig s SER 3 N 2.38 6.68 0.59 5.45 0.15 -1.26 -4.98 113.70 122.71 2dig s SER 3 Ca 0.03 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.26 2dig s SER 3 Cb -0.13 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2dig s SER 3 CO -0.09 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2dig n GLY 4 N 4.51 -0.03 3.67 9.45 0.00 -1.26 -4.67 105.19 116.87 2dig n GLY 4 Ca 0.15 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 2dig n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dig s SER 5 N -4.00 7.00 -0.27 1.61 0.01 -1.26 -4.98 113.70 111.81 2dig s SER 5 Ca 0.00 1.72 -0.26 0.00 1.31 0.00 0.00 55.95 58.72 2dig s SER 5 Cb 0.00 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.84 2dig s SER 5 CO 0.00 -0.68 1.24 -0.94 0.41 0.00 0.00 173.24 173.27 2dig s SER 6 N 1.72 -0.22 0.00 2.44 1.04 -1.26 -5.18 113.70 112.24 2dig s SER 6 Ca 0.54 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2dig s SER 6 Cb -0.22 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2dig s SER 6 CO 0.17 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dig n GLY 7 N 1.47 5.25 3.43 7.32 0.00 -1.26 -5.03 105.19 116.37 2dig n GLY 7 Ca -0.09 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 4.43 1.62 0.37 1.61 1.00 -1.26 -5.02 119.30 122.05 2dig s MET 8 Ca 0.00 -1.25 0.27 0.00 0.00 0.00 0.00 55.69 54.72 2dig s MET 8 Cb 0.00 -2.01 1.15 0.00 0.00 0.00 0.00 34.83 33.97 2dig s MET 8 CO 0.00 0.47 1.82 -1.00 0.00 0.00 0.00 175.02 176.31 2dig h PRO 9 N 3.89 0.00 -5.71 2.03 0.13 -2.08 -3.43 132.00 126.84 2dig h PRO 9 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 2dig h PRO 9 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2dig h PRO 9 CO 0.43 0.00 -0.51 -1.54 -0.23 0.00 0.00 178.00 176.14 2dig s SER 10 N -4.76 6.10 0.15 1.44 1.04 -1.26 -5.08 113.70 111.33 2dig s SER 10 Ca 0.03 0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 2dig s SER 10 Cb 0.09 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.21 2dig s SER 10 CO 0.44 0.40 1.18 -0.60 0.98 0.00 0.00 173.24 175.64 2dig s ARG 11 N -0.95 4.50 0.30 4.02 3.52 -1.26 -4.88 118.95 124.19 2dig s ARG 11 Ca 0.14 1.81 0.19 0.00 -0.13 0.00 0.00 55.73 57.74 2dig s ARG 11 Cb -0.12 -3.28 1.08 0.00 -1.56 0.00 0.00 34.95 31.07 2dig s ARG 11 CO 0.03 -0.10 1.23 1.17 -0.81 0.00 0.00 175.30 176.82 2dig n LYS 12 N 2.88 -0.04 -3.83 5.12 0.00 -1.26 -3.56 118.16 117.47 2dig n LYS 12 Ca 0.05 1.05 -0.28 0.00 0.00 0.00 0.00 58.31 59.14 2dig n LYS 12 Cb 0.45 -1.93 -0.16 0.00 0.00 0.00 0.00 35.03 33.39 2dig n LYS 12 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2dig s PHE 13 N -5.11 1.43 0.30 5.64 0.08 -1.26 -5.07 117.98 113.98 2dig s PHE 13 Ca -0.07 -0.96 -0.30 0.00 0.12 0.00 0.00 56.93 55.72 2dig s PHE 13 Cb 0.26 -1.19 -0.12 0.00 -0.57 0.00 0.00 43.02 41.40 2dig s PHE 13 CO 0.62 -0.59 1.42 0.00 -0.10 0.00 0.00 175.22 176.56 2dig n ALA 14 N 4.94 1.59 -1.67 5.36 0.00 -1.23 -4.88 120.51 124.63 2dig n ALA 14 Ca -0.10 0.38 -0.45 0.00 0.00 0.00 0.00 53.44 53.27 2dig n ALA 14 Cb 0.47 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 2dig n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dig n ASP 15 N 1.58 2.59 0.00 0.00 -0.08 -1.26 -1.04 116.55 118.34 2dig n ASP 15 Ca 0.08 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 2dig n ASP 15 Cb 0.35 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.39 2dig n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dig n GLY 16 N 1.87 2.67 3.49 0.27 0.00 -0.58 -4.96 105.19 107.95 2dig n GLY 16 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.45 0.72 -3.10 1.61 4.07 -0.20 -4.16 120.64 119.12 2dig n GLU 17 Ca 0.00 0.26 -0.45 0.00 -0.06 0.00 0.00 57.16 56.91 2dig n GLU 17 Cb 0.00 -1.49 -0.04 0.00 -0.06 0.00 0.00 31.44 29.85 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 -1.16 4.85 0.49 6.31 1.01 -1.26 -2.13 120.40 128.51 2dig s VAL 18 Ca 0.61 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2dig s VAL 18 Cb -0.74 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.15 2dig s VAL 18 CO 0.58 -1.16 0.28 1.33 0.00 0.00 0.00 175.10 176.14 2dig n VAL 19 N 5.45 0.00 -4.24 2.92 0.24 0.13 -4.90 118.33 117.92 2dig n VAL 19 Ca -0.05 -2.03 -0.34 0.00 -2.04 0.00 0.00 64.34 59.88 2dig n VAL 19 Cb 0.43 0.05 -0.12 0.00 -1.47 0.00 0.00 33.84 32.73 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 -3.96 3.69 -0.02 7.34 0.52 -0.76 -0.03 118.95 125.73 2dig s ARG 20 Ca 0.22 -0.50 0.07 0.00 -0.52 0.00 0.00 55.73 55.00 2dig s ARG 20 Cb -0.02 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 2dig s ARG 20 CO 0.14 0.17 -0.24 0.20 0.02 0.00 0.00 175.30 175.58 2dig s GLY 21 N 0.58 1.18 -0.47 -3.53 0.00 -0.62 -1.16 107.32 103.29 2dig s GLY 21 Ca -0.01 -1.04 -0.28 0.00 0.00 0.00 0.00 44.72 43.38 2dig s GLY 21 CO 0.02 -0.86 1.11 -1.60 0.00 0.00 0.00 173.10 171.77 2dig s ARG 22 N -0.56 3.70 0.16 2.90 3.52 -1.12 -1.46 118.95 126.09 2dig s ARG 22 Ca 0.09 0.51 -0.25 0.00 -0.13 0.00 0.00 55.73 55.95 2dig s ARG 22 Cb -0.09 -3.91 -0.15 0.00 -1.56 0.00 0.00 34.95 29.24 2dig s ARG 22 CO -0.01 -1.36 0.48 1.87 -0.81 0.00 0.00 175.30 175.48 2dig n TRP 23 N 7.75 -0.35 0.98 5.12 -0.00 -0.73 -4.75 117.44 125.45 2dig n TRP 23 Ca 0.11 0.85 0.08 0.00 -0.00 0.00 0.00 57.50 58.53 2dig n TRP 23 Cb 0.49 -1.71 0.46 0.00 -0.00 0.00 0.00 31.31 30.55 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 0.90 0.49 -0.00 5.87 -0.04 -1.26 -3.03 135.00 137.92 2dig n PRO 24 Ca 0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2dig n PRO 24 Cb 0.21 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -0.01 3.83 0.55 0.00 -1.26 -5.08 105.19 103.19 2dig n GLY 25 Ca 0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.45 4.41 -0.39 1.61 0.15 -1.17 -5.04 113.70 109.82 2dig s SER 26 Ca -0.00 -1.40 0.06 0.00 0.70 0.00 0.00 55.95 55.30 2dig s SER 26 Cb 0.00 0.40 0.57 0.00 -1.71 0.00 0.00 66.02 65.28 2dig s SER 26 CO 0.01 -0.96 1.71 -0.24 1.20 0.00 0.00 173.24 174.96 2dig n SER 27 N -1.52 3.55 -4.41 5.45 2.88 -1.26 -4.12 113.62 114.19 2dig n SER 27 Ca -0.09 -3.71 -0.32 0.00 -1.33 0.00 0.00 58.87 53.42 2dig n SER 27 Cb 0.65 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 63.23 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 -3.34 2.43 -0.06 2.46 1.43 -1.26 -4.98 118.68 115.36 2dig s LEU 28 Ca 0.52 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 2dig s LEU 28 Cb 0.45 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 2dig s LEU 28 CO 0.05 0.32 0.29 -0.31 0.23 0.00 0.00 176.35 176.93 2dig s TYR 29 N -0.71 3.65 0.25 0.29 1.51 -1.26 -1.78 117.35 119.30 2dig s TYR 29 Ca 0.11 0.77 0.05 0.00 -1.01 0.00 0.00 57.07 56.99 2dig s TYR 29 Cb -0.10 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2dig s TYR 29 CO 0.00 0.64 -0.04 0.71 -1.11 0.00 0.00 175.55 175.75 2dig s TYR 30 N -0.91 1.72 -0.48 2.71 1.51 -0.53 -4.85 117.35 116.52 2dig s TYR 30 Ca 0.20 -0.79 -0.28 0.00 -1.01 0.00 0.00 57.07 55.19 2dig s TYR 30 Cb -0.14 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 2dig s TYR 30 CO 0.09 0.13 1.75 -2.00 -1.11 0.00 0.00 175.55 174.41 2dig s GLU 31 N -3.78 3.05 0.12 -0.62 2.12 -1.26 -1.59 118.70 116.74 2dig s GLU 31 Ca 0.28 0.94 0.08 0.00 0.36 0.00 0.00 54.97 56.63 2dig s GLU 31 Cb 0.04 -4.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 2dig s GLU 31 CO 0.09 -2.21 -0.20 0.14 -0.54 0.00 0.00 175.26 172.55 2dig s VAL 32 N 7.60 1.72 0.13 3.70 -7.23 0.96 -4.10 120.40 123.18 2dig s VAL 32 Ca 0.70 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 2dig s VAL 32 Cb -0.16 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2dig s VAL 32 CO 0.27 -0.14 0.15 -0.70 -0.31 0.00 0.00 175.10 174.37 2dig s GLU 33 N -2.17 3.05 -0.15 4.82 2.12 -0.11 -0.69 118.70 125.57 2dig s GLU 33 Ca 0.09 -0.73 -0.24 0.00 0.36 0.00 0.00 54.97 54.45 2dig s GLU 33 Cb -0.09 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2dig s GLU 33 CO 0.05 0.53 0.76 0.42 -0.54 0.00 0.00 175.26 176.47 2dig s ILE 34 N -1.63 4.95 -0.26 -3.70 -1.09 -0.91 -0.50 121.20 118.07 2dig s ILE 34 Ca 0.32 1.50 -0.15 0.00 -2.23 0.00 0.00 60.65 60.08 2dig s ILE 34 Cb -0.11 -4.08 -0.11 0.00 -1.58 0.00 0.00 42.46 36.59 2dig s ILE 34 CO 0.24 0.10 -0.36 0.18 -1.23 0.00 0.00 174.94 173.88 2dig n LEU 35 N 4.81 1.95 0.00 2.97 4.77 0.35 -1.53 117.00 130.33 2dig n LEU 35 Ca 0.02 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2dig n LEU 35 Cb 0.50 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2dig n LEU 35 CO 0.47 0.38 0.19 -1.20 -1.33 0.00 0.00 177.39 175.90 2dig n SER 36 N -4.30 -1.28 -3.94 -1.43 7.64 -1.13 -4.84 113.62 104.34 2dig n SER 36 Ca -0.45 -2.59 -0.09 0.00 1.01 0.00 0.00 58.87 56.75 2dig n SER 36 Cb 0.80 2.34 -0.08 0.00 -1.01 0.00 0.00 64.21 66.26 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 -3.22 0.33 -0.00 1.43 2.46 -1.26 -3.11 115.29 111.92 2dig s HIS 37 Ca 0.23 -0.76 -0.03 0.00 0.47 0.00 0.00 55.06 54.97 2dig s HIS 37 Cb -0.01 -0.15 -0.00 0.00 -0.13 0.00 0.00 32.58 32.28 2dig s HIS 37 CO 0.17 -0.55 0.06 0.16 -2.47 0.00 0.00 174.74 172.11 2dig s ASP 38 N -2.91 0.07 0.00 9.88 1.47 -1.26 -5.01 116.67 118.92 2dig s ASP 38 Ca 0.09 -0.20 0.09 0.00 1.18 0.00 0.00 52.55 53.71 2dig s ASP 38 Cb 0.05 0.15 -0.07 0.00 -0.34 0.00 0.00 42.92 42.71 2dig s ASP 38 CO -0.07 -0.24 0.46 -1.54 0.68 0.00 0.00 175.17 174.45 2dig n SER 39 N 1.98 0.66 -0.07 2.11 3.41 -1.26 -3.65 113.62 116.79 2dig n SER 39 Ca -0.20 -0.83 -0.08 0.00 -0.26 0.00 0.00 58.87 57.51 2dig n SER 39 Cb 0.56 0.85 -0.11 0.00 -0.26 0.00 0.00 64.21 65.26 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 -0.95 0.98 -0.05 6.66 -1.04 -1.26 -4.60 114.28 114.02 2dig n THR 40 Ca 0.02 -0.58 -0.00 0.00 -2.04 0.00 0.00 64.05 61.45 2dig n THR 40 Cb 0.16 -0.68 -0.16 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.58 0.02 -2.92 8.00 7.64 -1.26 -5.00 113.62 117.53 2dig n SER 41 Ca -0.24 0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.44 2dig n SER 41 Cb 0.95 1.44 0.04 0.00 -1.01 0.00 0.00 64.21 65.63 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 -2.53 -5.09 -3.98 1.43 1.13 -1.24 -4.98 117.38 102.12 2dig n GLN 42 Ca -0.19 0.84 -0.31 0.00 -1.94 0.00 0.00 57.00 55.41 2dig n GLN 42 Cb 0.88 -5.61 -0.16 0.00 0.11 0.00 0.00 30.24 25.46 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 -6.38 2.72 -0.29 1.08 1.43 -1.26 -3.79 118.68 112.19 2dig s LEU 43 Ca 0.33 -1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 52.00 2dig s LEU 43 Cb -0.14 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2dig s LEU 43 CO 0.41 -0.20 0.93 -0.31 0.23 0.00 0.00 176.35 177.40 2dig s TYR 44 N 1.32 3.23 -0.59 0.29 1.51 0.16 -4.21 117.35 119.05 2dig s TYR 44 Ca -0.06 1.10 -0.27 0.00 -1.01 0.00 0.00 57.07 56.83 2dig s TYR 44 Cb -0.19 -3.34 0.03 0.00 -0.11 0.00 0.00 41.96 38.36 2dig s TYR 44 CO -0.06 -0.58 1.15 0.99 -1.11 0.00 0.00 175.55 175.93 2dig s THR 45 N 3.19 4.06 0.20 -0.71 2.01 -1.18 -1.40 115.64 121.81 2dig s THR 45 Ca 0.39 0.70 0.07 0.00 0.31 0.00 0.00 61.69 63.16 2dig s THR 45 Cb -0.14 -4.71 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 2dig s THR 45 CO 0.11 -1.36 0.09 0.68 -0.69 0.00 0.00 174.62 173.45 2dig s VAL 46 N 4.83 4.08 -0.08 3.82 -7.23 -1.00 -0.49 120.40 124.32 2dig s VAL 46 Ca 0.39 -1.39 0.05 0.00 -1.81 0.00 0.00 61.98 59.22 2dig s VAL 46 Cb -0.09 -3.12 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 2dig s VAL 46 CO 0.23 -0.21 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.82 2dig s LYS 47 N -3.31 2.81 0.50 4.82 2.20 0.35 -2.19 119.74 124.92 2dig s LYS 47 Ca 0.30 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2dig s LYS 47 Cb -0.09 -2.21 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 2dig s LYS 47 CO 0.22 0.24 0.80 0.71 -0.36 0.00 0.00 175.35 176.96 2dig s TYR 48 N 0.18 3.46 0.53 4.03 1.51 0.35 -0.93 117.35 126.49 2dig s TYR 48 Ca -0.13 0.72 0.21 0.00 -1.01 0.00 0.00 57.07 56.85 2dig s TYR 48 Cb -0.16 -2.40 1.36 0.00 -0.11 0.00 0.00 41.96 40.65 2dig s TYR 48 CO 0.07 -0.41 2.08 1.57 -1.11 0.00 0.00 175.55 177.75 2dig h LYS 49 N 0.15 0.00 0.00 -0.62 5.09 -1.91 0.25 116.57 119.54 2dig h LYS 49 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 2dig h LYS 49 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.55 2dig h LYS 49 CO 0.61 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 174.50 2dig n ASP 50 N -4.41 0.32 -0.18 7.07 2.03 -1.26 -4.87 116.55 115.25 2dig n ASP 50 Ca 0.03 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.91 2dig n ASP 50 Cb 0.33 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dig n GLY 51 N 0.12 1.04 3.40 0.27 0.00 0.89 -5.09 105.19 105.81 2dig n GLY 51 Ca 0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.37 2.55 -0.06 2.61 2.01 -1.23 -4.90 115.64 114.24 2dig s THR 52 Ca 0.00 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.02 2dig s THR 52 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2dig s THR 52 CO 0.00 0.53 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.74 2dig s GLU 53 N -0.83 2.69 0.27 4.92 2.02 -1.26 -0.49 118.70 126.02 2dig s GLU 53 Ca 0.11 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 2dig s GLU 53 Cb -0.10 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 2dig s GLU 53 CO 0.01 0.60 0.33 -0.51 0.02 0.00 0.00 175.26 175.71 2dig s LEU 54 N -0.65 1.01 -0.25 1.80 1.43 -0.93 -5.00 118.68 116.08 2dig s LEU 54 Ca 0.10 -1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 51.80 2dig s LEU 54 Cb -0.11 1.04 0.02 0.00 0.03 0.00 0.00 46.19 47.17 2dig s LEU 54 CO 0.01 -1.07 -0.03 -1.61 0.23 0.00 0.00 176.35 173.88 2dig s GLU 55 N -3.70 3.00 -0.09 1.70 2.02 -1.26 -2.39 118.70 117.97 2dig s GLU 55 Ca 0.33 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.46 2dig s GLU 55 Cb 0.02 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2dig s GLU 55 CO 0.16 -0.36 -0.16 -0.51 0.02 0.00 0.00 175.26 174.41 2dig s LEU 56 N 1.39 1.75 0.71 1.80 1.43 -0.50 -4.86 118.68 120.41 2dig s LEU 56 Ca 0.02 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 2dig s LEU 56 Cb -0.16 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.01 2dig s LEU 56 CO -0.03 0.04 1.10 0.29 0.23 0.00 0.00 176.35 177.98 2dig n LYS 57 N 3.98 0.64 -0.38 1.70 5.02 -1.26 0.35 118.16 128.21 2dig n LYS 57 Ca -0.20 0.28 0.38 0.00 -2.02 0.00 0.00 58.31 56.74 2dig n LYS 57 Cb 0.52 -2.34 0.76 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.10 0.01 0.18 1.97 4.81 -1.93 0.46 114.58 119.98 2dig h GLU 58 Ca -0.48 -0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.44 2dig h GLU 58 Cb 1.33 -0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.74 2dig h GLU 58 CO 0.49 0.01 -1.30 -0.97 -0.73 0.00 0.00 179.01 176.51 2dig h ASN 59 N 0.01 0.82 -0.06 1.04 -0.00 -1.92 -3.22 115.58 112.26 2dig h ASN 59 Ca 0.62 -0.88 0.02 0.00 -0.00 0.00 0.00 56.30 56.06 2dig h ASN 59 Cb 2.48 -0.26 -0.00 0.00 -0.00 0.00 0.00 38.32 40.53 2dig h ASN 59 CO -0.02 1.63 0.16 0.44 -0.00 0.00 0.00 177.43 179.64 2dig h ASP 60 N 0.14 0.00 -2.77 1.15 5.19 -0.39 -3.40 116.42 116.34 2dig h ASP 60 Ca -0.21 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.55 2dig h ASP 60 Cb 1.99 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.44 2dig h ASP 60 CO 0.25 0.00 -0.40 -0.63 -3.12 0.00 0.00 179.24 175.34 2dig s ILE 61 N -4.31 5.36 -0.23 0.35 1.01 -0.97 -2.77 121.20 119.63 2dig s ILE 61 Ca -0.04 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 2dig s ILE 61 Cb 0.13 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 39.16 2dig s ILE 61 CO 0.42 0.58 0.60 -1.59 0.00 0.00 0.00 174.94 174.95 2dig s LYS 62 N -1.14 0.67 0.27 2.79 -2.85 -0.31 -4.95 119.74 114.23 2dig s LYS 62 Ca 0.19 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 2dig s LYS 62 Cb -0.13 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 2dig s LYS 62 CO 0.08 -0.11 0.46 -1.54 0.10 0.00 0.00 175.35 174.34 2dig s SER 63 N 0.79 6.34 0.00 0.03 1.04 -1.26 -1.83 113.70 118.81 2dig s SER 63 Ca -0.04 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2dig s SER 63 Cb -0.05 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2dig s SER 63 CO -0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2dig n GLY 64 N -1.26 2.49 3.69 7.32 0.00 -1.26 -4.96 105.19 111.21 2dig n GLY 64 Ca -0.05 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 2.95 0.67 -0.14 1.61 0.04 -1.26 -5.01 135.00 133.86 2dig s PRO 65 Ca 0.00 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 2dig s PRO 65 Cb 0.00 -1.76 -0.26 0.00 0.04 0.00 0.00 34.50 32.53 2dig s PRO 65 CO 0.00 -2.59 0.78 0.77 0.04 0.00 0.00 177.00 176.00 2dig h SER 66 N -1.80 -0.00 -6.97 6.66 0.02 -2.05 -3.47 113.55 105.95 2dig h SER 66 Ca -0.53 -0.98 -0.59 0.00 -0.84 0.00 0.00 61.79 58.85 2dig h SER 66 Cb 1.32 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.49 2dig h SER 66 CO 0.57 0.98 -0.86 -1.20 -1.14 0.00 0.00 176.83 175.18 2dig n SER 67 N -4.62 -1.64 0.00 3.07 7.64 -1.26 -5.31 113.62 111.50 2dig n SER 67 Ca -0.10 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.60 2dig n SER 67 Cb 0.47 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2dig n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64