#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 -0.29 -0.52 1.61 0.01 -1.26 -5.05 113.70 108.21 2dig s SER 2 Ca 0.00 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2dig s SER 2 Cb 0.00 0.65 0.28 0.00 0.21 0.00 0.00 66.02 67.15 2dig s SER 2 CO 0.00 -1.17 2.16 -1.54 0.41 0.00 0.00 173.24 173.10 2dig n SER 3 N -0.40 7.00 0.01 2.44 3.41 -1.26 -4.36 113.62 120.45 2dig n SER 3 Ca -0.08 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 2dig n SER 3 Cb 0.61 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2dig n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dig n GLY 4 N -0.07 -0.48 3.18 5.00 0.00 -1.26 -5.15 105.19 106.42 2dig n GLY 4 Ca 0.47 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.32 -3.59 -4.04 1.61 3.41 -1.26 -4.99 113.62 102.43 2dig n SER 5 Ca 0.00 0.14 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 2dig n SER 5 Cb 0.00 -0.89 -0.17 0.00 -0.26 0.00 0.00 64.21 62.89 2dig n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dig s SER 6 N -1.47 2.55 0.10 4.04 1.04 -1.26 -4.92 113.70 113.78 2dig s SER 6 Ca 0.48 -0.45 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 2dig s SER 6 Cb -0.13 -1.13 0.09 0.00 0.10 0.00 0.00 66.02 64.95 2dig s SER 6 CO 0.72 -0.01 1.13 -0.83 0.98 0.00 0.00 173.24 175.23 2dig s GLY 7 N 1.17 -0.06 0.48 7.32 0.00 -1.26 -5.15 107.32 109.83 2dig s GLY 7 Ca -0.02 -0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.44 2dig s GLY 7 CO -0.05 2.74 0.50 1.03 0.00 0.00 0.00 173.10 177.33 2dig n MET 8 N -0.70 0.53 -2.04 2.90 0.00 -1.26 -4.78 117.12 111.77 2dig n MET 8 Ca -0.02 0.20 -0.31 0.00 0.00 0.00 0.00 57.70 57.56 2dig n MET 8 Cb 0.60 -1.56 -0.04 0.00 0.00 0.00 0.00 33.22 32.22 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 -1.74 2.58 -0.06 0.03 0.04 -1.26 -4.82 135.00 129.78 2dig s PRO 9 Ca 0.65 0.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.53 2dig s PRO 9 Cb -0.53 -4.79 -0.18 0.00 0.04 0.00 0.00 34.50 29.04 2dig s PRO 9 CO 0.57 -3.12 0.97 1.03 0.04 0.00 0.00 177.00 176.50 2dig h SER 10 N 12.80 -0.10 -3.55 6.66 0.87 -2.03 -3.45 113.55 124.75 2dig h SER 10 Ca -0.05 -0.49 -0.54 0.00 -1.23 0.00 0.00 61.79 59.48 2dig h SER 10 Cb 1.07 0.03 -0.33 0.00 -0.44 0.00 0.00 62.40 62.73 2dig h SER 10 CO 1.21 0.50 -0.83 -0.60 -0.53 0.00 0.00 176.83 176.58 2dig s ARG 11 N -3.48 1.84 0.53 2.24 6.06 -1.26 -5.01 118.95 119.87 2dig s ARG 11 Ca -0.14 -0.51 0.20 0.00 -2.50 0.00 0.00 55.73 52.78 2dig s ARG 11 Cb 0.00 -1.52 1.41 0.00 0.06 0.00 0.00 34.95 34.90 2dig s ARG 11 CO 0.56 0.10 2.16 -0.22 -2.50 0.00 0.00 175.30 175.40 2dig h LYS 12 N 6.73 0.00 -3.97 5.12 3.64 -2.00 -3.38 116.57 122.71 2dig h LYS 12 Ca -0.30 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.55 2dig h LYS 12 Cb 1.19 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.63 2dig h LYS 12 CO 0.48 0.03 -0.78 -0.06 -2.27 0.00 0.00 179.45 176.85 2dig s PHE 13 N -4.83 1.42 0.29 1.91 0.08 -1.26 -5.04 117.98 110.55 2dig s PHE 13 Ca -0.05 -0.91 -0.30 0.00 0.12 0.00 0.00 56.93 55.79 2dig s PHE 13 Cb 0.16 -1.18 -0.13 0.00 -0.57 0.00 0.00 43.02 41.30 2dig s PHE 13 CO 0.63 -0.57 1.41 0.00 -0.10 0.00 0.00 175.22 176.59 2dig n ALA 14 N 4.95 1.51 -1.66 5.36 0.00 -1.26 -4.84 120.51 124.57 2dig n ALA 14 Ca -0.11 0.39 -0.52 0.00 0.00 0.00 0.00 53.44 53.20 2dig n ALA 14 Cb 0.48 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 2dig n ALA 14 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dig n ASP 15 N 1.66 2.49 0.00 0.00 5.75 -1.26 -0.20 116.55 124.99 2dig n ASP 15 Ca 0.08 1.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.94 2dig n ASP 15 Cb 0.34 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 2dig n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dig n GLY 16 N 3.52 2.79 3.43 6.12 0.00 0.20 -4.93 105.19 116.33 2dig n GLY 16 Ca 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.22 0.23 -3.01 1.61 2.13 0.72 -3.81 120.64 118.29 2dig n GLU 17 Ca 0.00 0.08 -0.44 0.00 0.66 0.00 0.00 57.16 57.46 2dig n GLU 17 Cb 0.00 -1.14 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 2dig n GLU 17 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2dig s VAL 18 N -1.01 4.63 0.50 6.31 1.01 -1.26 -2.05 120.40 128.53 2dig s VAL 18 Ca 0.63 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2dig s VAL 18 Cb -0.89 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 30.89 2dig s VAL 18 CO 0.57 -1.27 0.05 0.68 0.00 0.00 0.00 175.10 175.12 2dig s VAL 19 N 3.18 1.33 -0.13 2.92 -7.23 0.23 -4.54 120.40 116.16 2dig s VAL 19 Ca 0.17 -1.94 -0.14 0.00 -1.81 0.00 0.00 61.98 58.26 2dig s VAL 19 Cb -0.20 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2dig s VAL 19 CO 0.07 0.00 0.32 -0.13 -0.31 0.00 0.00 175.10 175.05 2dig s ARG 20 N -3.90 4.17 -0.13 4.82 1.81 -0.87 -0.15 118.95 124.70 2dig s ARG 20 Ca 0.13 0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.30 2dig s ARG 20 Cb 0.02 -3.38 0.02 0.00 -0.45 0.00 0.00 34.95 31.16 2dig s ARG 20 CO 0.07 0.33 -0.12 0.20 -0.68 0.00 0.00 175.30 175.10 2dig s GLY 21 N 0.18 1.01 0.00 -3.53 0.00 0.02 -1.65 107.32 103.36 2dig s GLY 21 Ca 0.19 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 2dig s GLY 21 CO 0.06 0.63 1.84 -1.60 0.00 0.00 0.00 173.10 174.02 2dig s ARG 22 N 1.56 4.16 0.31 2.90 3.52 -1.20 -2.70 118.95 127.49 2dig s ARG 22 Ca 0.05 2.44 -0.29 0.00 -0.13 0.00 0.00 55.73 57.80 2dig s ARG 22 Cb -0.13 -4.08 -0.13 0.00 -1.56 0.00 0.00 34.95 29.05 2dig s ARG 22 CO -0.10 -0.91 1.21 1.87 -0.81 0.00 0.00 175.30 176.56 2dig n TRP 23 N 7.34 1.90 0.98 5.12 -0.00 -1.00 -4.83 117.44 126.95 2dig n TRP 23 Ca 0.19 0.59 0.05 0.00 -0.00 0.00 0.00 57.50 58.33 2dig n TRP 23 Cb 0.42 -2.36 0.32 0.00 -0.00 0.00 0.00 31.31 29.69 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 0.82 0.49 0.00 5.87 -0.04 -1.26 -3.17 135.00 137.71 2dig n PRO 24 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2dig n PRO 24 Cb 0.34 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 3.79 0.55 0.00 -1.26 -5.09 105.19 103.16 2dig n GLY 25 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.04 4.55 -0.44 1.61 0.15 -1.19 -5.03 113.70 109.31 2dig s SER 26 Ca 0.00 -1.08 0.04 0.00 0.70 0.00 0.00 55.95 55.61 2dig s SER 26 Cb 0.00 -0.29 0.64 0.00 -1.71 0.00 0.00 66.02 64.66 2dig s SER 26 CO 0.00 -0.68 1.89 -1.54 1.20 0.00 0.00 173.24 174.11 2dig n SER 27 N -1.39 3.83 -4.39 5.45 3.41 -1.26 -3.99 113.62 115.28 2dig n SER 27 Ca -0.01 -3.55 -0.33 0.00 -0.26 0.00 0.00 58.87 54.72 2dig n SER 27 Cb 0.64 -0.83 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 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 -3.17 2.62 -0.04 1.04 1.43 -1.26 -4.99 118.68 114.31 2dig s LEU 28 Ca 0.55 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 2dig s LEU 28 Cb 0.46 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2dig s LEU 28 CO 0.10 0.23 0.53 -0.31 0.23 0.00 0.00 176.35 177.14 2dig s TYR 29 N -0.05 3.64 0.35 0.29 1.51 -1.26 -2.38 117.35 119.45 2dig s TYR 29 Ca -0.04 1.08 0.06 0.00 -1.01 0.00 0.00 57.07 57.17 2dig s TYR 29 Cb -0.14 -2.54 -0.07 0.00 -0.11 0.00 0.00 41.96 39.10 2dig s TYR 29 CO 0.04 0.34 -0.01 0.71 -1.11 0.00 0.00 175.55 175.53 2dig s TYR 30 N -0.08 2.21 -0.06 2.71 2.02 -1.10 -4.85 117.35 118.19 2dig s TYR 30 Ca 0.28 -0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 55.95 2dig s TYR 30 Cb -0.17 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2dig s TYR 30 CO 0.15 0.30 1.29 -2.00 -1.57 0.00 0.00 175.55 173.72 2dig s GLU 31 N -3.75 4.30 0.06 -0.62 2.12 -1.26 -0.80 118.70 118.74 2dig s GLU 31 Ca 0.34 1.78 -0.05 0.00 0.36 0.00 0.00 54.97 57.39 2dig s GLU 31 Cb 0.07 -3.63 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2dig s GLU 31 CO 0.16 -0.56 0.08 0.14 -0.54 0.00 0.00 175.26 174.54 2dig s VAL 32 N 2.64 0.16 0.08 3.70 -7.23 0.79 -4.23 120.40 116.31 2dig s VAL 32 Ca 0.59 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2dig s VAL 32 Cb -0.26 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2dig s VAL 32 CO 0.22 -0.73 0.01 -0.70 -0.31 0.00 0.00 175.10 173.59 2dig s GLU 33 N -3.34 2.61 -0.17 4.82 2.12 -0.21 -0.60 118.70 123.92 2dig s GLU 33 Ca 0.01 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.29 2dig s GLU 33 Cb 0.03 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2dig s GLU 33 CO -0.08 0.55 0.83 0.42 -0.54 0.00 0.00 175.26 176.44 2dig s ILE 34 N -1.31 4.88 -0.27 -3.70 -1.09 -0.87 -0.75 121.20 118.10 2dig s ILE 34 Ca 0.26 1.62 -0.15 0.00 -2.23 0.00 0.00 60.65 60.15 2dig s ILE 34 Cb -0.12 -4.13 -0.12 0.00 -1.58 0.00 0.00 42.46 36.51 2dig s ILE 34 CO 0.18 0.03 -0.30 0.18 -1.23 0.00 0.00 174.94 173.80 2dig n LEU 35 N 5.23 1.95 -3.93 2.97 4.77 -0.13 0.62 117.00 128.48 2dig n LEU 35 Ca 0.04 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.29 2dig n LEU 35 Cb 0.49 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2dig n LEU 35 CO 0.48 0.50 0.33 -0.44 -1.33 0.00 0.00 177.39 176.93 2dig s SER 36 N -7.35 -0.16 -0.25 -1.43 0.01 -1.19 -4.80 113.70 98.53 2dig s SER 36 Ca -0.37 -0.79 -0.01 0.00 1.31 0.00 0.00 55.95 56.09 2dig s SER 36 Cb 0.13 0.66 0.08 0.00 0.21 0.00 0.00 66.02 67.10 2dig s SER 36 CO 0.50 -1.25 0.04 -2.28 0.41 0.00 0.00 173.24 170.66 2dig s HIS 37 N -3.93 1.56 1.04 2.43 2.46 -1.26 -2.55 115.29 115.04 2dig s HIS 37 Ca 0.17 -1.39 -0.12 0.00 0.47 0.00 0.00 55.06 54.19 2dig s HIS 37 Cb -0.03 -1.41 0.21 0.00 -0.13 0.00 0.00 32.58 31.22 2dig s HIS 37 CO 0.08 -0.75 1.07 0.16 -2.47 0.00 0.00 174.74 172.84 2dig s ASP 38 N 1.67 2.19 -0.02 9.88 -4.77 -1.25 -4.99 116.67 119.38 2dig s ASP 38 Ca 0.03 1.35 0.03 0.00 -3.30 0.00 0.00 52.55 50.66 2dig s ASP 38 Cb -0.17 -2.05 0.04 0.00 -1.09 0.00 0.00 42.92 39.65 2dig s ASP 38 CO -0.15 -3.43 0.84 -1.54 0.70 0.00 0.00 175.17 171.59 2dig n SER 39 N -4.39 0.78 -0.01 2.11 3.41 -1.26 -4.50 113.62 109.76 2dig n SER 39 Ca 0.05 -1.79 -0.05 0.00 -0.26 0.00 0.00 58.87 56.81 2dig n SER 39 Cb 0.56 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.32 1.06 0.42 6.66 -1.04 -1.26 -4.75 114.28 115.04 2dig n THR 40 Ca 0.02 0.17 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 2dig n THR 40 Cb 0.52 -1.77 0.17 0.00 -1.82 0.00 0.00 70.33 67.43 2dig n THR 40 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dig n SER 41 N -3.69 3.22 -2.62 8.00 3.41 -1.26 -4.95 113.62 115.73 2dig n SER 41 Ca -0.09 -1.95 -0.16 0.00 -0.26 0.00 0.00 58.87 56.41 2dig n SER 41 Cb 0.33 -0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dig n GLN 42 N 1.34 -2.55 -3.50 4.33 1.13 -1.26 -4.92 117.38 111.94 2dig n GLN 42 Ca 0.17 0.65 -0.42 0.00 -1.94 0.00 0.00 57.00 55.46 2dig n GLN 42 Cb 0.57 -5.29 -0.10 0.00 0.11 0.00 0.00 30.24 25.52 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 -5.88 4.79 -0.10 1.08 1.43 -1.26 -2.91 118.68 115.83 2dig s LEU 43 Ca 0.08 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 2dig s LEU 43 Cb -0.04 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2dig s LEU 43 CO 0.10 -0.34 1.02 -0.31 0.23 0.00 0.00 176.35 177.05 2dig s TYR 44 N 1.69 3.50 -0.63 0.29 1.51 0.15 -3.81 117.35 120.07 2dig s TYR 44 Ca 0.05 1.58 -0.25 0.00 -1.01 0.00 0.00 57.07 57.45 2dig s TYR 44 Cb -0.18 -3.20 0.05 0.00 -0.11 0.00 0.00 41.96 38.52 2dig s TYR 44 CO 0.10 -0.27 1.05 0.99 -1.11 0.00 0.00 175.55 176.31 2dig s THR 45 N 2.02 4.19 0.16 -0.71 2.01 -1.06 -1.16 115.64 121.09 2dig s THR 45 Ca 0.49 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.73 2dig s THR 45 Cb -0.19 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.60 2dig s THR 45 CO 0.18 -1.40 0.12 0.68 -0.69 0.00 0.00 174.62 173.51 2dig s VAL 46 N 4.48 4.40 -0.10 3.82 -7.23 -0.97 -0.95 120.40 123.85 2dig s VAL 46 Ca 0.30 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2dig s VAL 46 Cb -0.12 -3.24 -0.00 0.00 0.56 0.00 0.00 36.38 33.58 2dig s VAL 46 CO 0.16 -0.10 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.87 2dig s LYS 47 N -3.05 3.03 0.52 4.82 2.20 0.07 -2.10 119.74 125.22 2dig s LYS 47 Ca 0.30 -0.87 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 2dig s LYS 47 Cb -0.10 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.90 2dig s LYS 47 CO 0.23 0.20 0.81 0.71 -0.36 0.00 0.00 175.35 176.93 2dig s TYR 48 N 0.30 3.37 0.07 4.03 1.51 0.17 -1.05 117.35 125.76 2dig s TYR 48 Ca -0.17 0.63 -0.17 0.00 -1.01 0.00 0.00 57.07 56.34 2dig s TYR 48 Cb -0.18 -2.48 -0.05 0.00 -0.11 0.00 0.00 41.96 39.14 2dig s TYR 48 CO 0.08 -0.51 1.29 -0.22 -1.11 0.00 0.00 175.55 175.08 2dig h LYS 49 N 0.09 -0.17 -1.30 -0.62 3.64 -1.91 0.26 116.57 116.57 2dig h LYS 49 Ca -0.46 0.01 0.46 0.00 -1.27 0.00 0.00 60.65 59.39 2dig h LYS 49 Cb 1.24 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.95 2dig h LYS 49 CO 0.60 -0.11 0.82 0.22 -2.27 0.00 0.00 179.45 178.71 2dig h ASP 50 N -0.17 0.23 0.00 4.20 3.58 -1.96 -3.43 116.42 118.87 2dig h ASP 50 Ca 0.05 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2dig h ASP 50 Cb 0.30 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2dig h ASP 50 CO -0.35 -0.28 0.00 0.61 -2.88 0.00 0.00 179.24 176.34 2dig n GLY 51 N -1.47 1.24 3.66 -0.78 0.00 0.91 -5.13 105.19 103.61 2dig n GLY 51 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 4.27 -0.14 2.61 2.01 -1.23 -4.86 115.64 116.30 2dig s THR 52 Ca 0.00 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 2dig s THR 52 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2dig s THR 52 CO 0.00 0.59 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.87 2dig s GLU 53 N -0.69 3.50 0.18 4.92 2.02 -1.26 -0.66 118.70 126.72 2dig s GLU 53 Ca 0.11 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 2dig s GLU 53 Cb -0.12 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2dig s GLU 53 CO 0.02 0.33 0.08 -0.51 0.02 0.00 0.00 175.26 175.21 2dig s LEU 54 N 0.12 1.56 -0.29 1.80 1.43 -0.89 -4.99 118.68 117.41 2dig s LEU 54 Ca -0.01 -1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 51.71 2dig s LEU 54 Cb -0.14 0.23 -0.00 0.00 0.03 0.00 0.00 46.19 46.32 2dig s LEU 54 CO 0.03 -0.75 0.09 -1.61 0.23 0.00 0.00 176.35 174.34 2dig s GLU 55 N -4.07 3.24 -0.11 1.70 2.02 -1.26 -2.28 118.70 117.94 2dig s GLU 55 Ca 0.32 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2dig s GLU 55 Cb 0.07 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.92 2dig s GLU 55 CO 0.08 -0.39 -0.14 -0.51 0.02 0.00 0.00 175.26 174.32 2dig s LEU 56 N 1.54 1.63 0.91 1.80 1.43 -0.31 -4.85 118.68 120.83 2dig s LEU 56 Ca 0.04 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2dig s LEU 56 Cb -0.17 -1.03 0.07 0.00 0.03 0.00 0.00 46.19 45.09 2dig s LEU 56 CO 0.03 -0.01 0.70 0.29 0.23 0.00 0.00 176.35 177.59 2dig n LYS 57 N 4.32 -0.24 -0.19 1.70 5.02 -1.26 0.34 118.16 127.84 2dig n LYS 57 Ca -0.18 -0.02 0.19 0.00 -2.02 0.00 0.00 58.31 56.28 2dig n LYS 57 Cb 0.51 -2.06 0.55 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.49 0.31 0.01 1.97 4.81 -1.90 -0.15 114.58 118.14 2dig h GLU 58 Ca -0.44 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.50 2dig h GLU 58 Cb 1.29 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.62 2dig h GLU 58 CO 0.38 0.20 -1.06 -0.97 -0.73 0.00 0.00 179.01 176.83 2dig h ASN 59 N 0.32 0.91 -0.78 1.04 -1.24 -1.90 -3.21 115.58 110.72 2dig h ASN 59 Ca 0.42 -0.75 0.17 0.00 0.71 0.00 0.00 56.30 56.86 2dig h ASN 59 Cb 1.14 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.86 2dig h ASN 59 CO -0.12 1.54 0.53 0.44 -1.29 0.00 0.00 177.43 178.53 2dig h ASP 60 N 0.38 0.31 -3.46 1.15 3.32 -1.34 -3.40 116.42 113.38 2dig h ASP 60 Ca -0.14 0.02 -0.54 0.00 0.02 0.00 0.00 57.03 56.40 2dig h ASP 60 Cb 1.71 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.19 2dig h ASP 60 CO 0.21 0.15 -0.04 -0.63 -1.72 0.00 0.00 179.24 177.21 2dig s ILE 61 N -5.33 4.82 -0.25 0.35 1.01 -1.02 -3.27 121.20 117.51 2dig s ILE 61 Ca -0.07 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.11 2dig s ILE 61 Cb 0.21 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 39.07 2dig s ILE 61 CO 0.77 0.06 0.77 -1.59 0.00 0.00 0.00 174.94 174.95 2dig s LYS 62 N -2.41 0.81 -0.08 2.79 -2.85 -0.66 -4.95 119.74 112.38 2dig s LYS 62 Ca 0.44 0.85 -0.01 0.00 -1.00 0.00 0.00 55.97 56.25 2dig s LYS 62 Cb -0.13 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 2dig s LYS 62 CO 0.20 -0.12 -0.04 0.45 0.10 0.00 0.00 175.35 175.93 2dig s SER 63 N 0.17 4.84 0.00 0.03 0.15 -1.26 -2.04 113.70 115.58 2dig s SER 63 Ca -0.01 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dig s SER 63 Cb -0.04 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2dig s SER 63 CO 0.01 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2dig n GLY 64 N 2.37 0.74 0.00 9.45 0.00 -1.26 -4.86 105.19 111.63 2dig n GLY 64 Ca -0.18 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2dig n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dig n PRO 65 N 0.00 0.46 -4.15 1.61 -0.04 -1.26 -4.84 135.00 126.78 2dig n PRO 65 Ca 0.00 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2dig n PRO 65 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dig n PRO 65 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dig n SER 66 N -1.03 -3.25 -4.48 3.54 3.41 -1.26 -4.85 113.62 105.71 2dig n SER 66 Ca 0.11 -0.95 -0.43 0.00 -0.26 0.00 0.00 58.87 57.35 2dig n SER 66 Cb 0.06 -2.67 -0.03 0.00 -0.26 0.00 0.00 64.21 61.31 2dig n SER 66 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dig s SER 67 N -3.20 6.40 0.00 4.04 0.01 -1.26 -5.05 113.70 114.64 2dig s SER 67 Ca 0.72 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2dig s SER 67 Cb -0.39 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2dig s SER 67 CO 0.88 -1.34 0.29 0.61 0.41 0.00 0.00 173.24 174.09