#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 0.04 0.22 1.61 0.15 -1.26 -5.16 113.70 109.30 2dig s SER 2 Ca 0.00 0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 2dig s SER 2 Cb 0.00 1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 65.53 2dig s SER 2 CO 0.00 -0.30 0.28 -0.94 1.20 0.00 0.00 173.24 173.48 2dig s SER 3 N 2.58 0.05 0.00 5.45 1.04 -1.26 -5.16 113.70 116.40 2dig s SER 3 Ca 0.14 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2dig s SER 3 Cb -0.15 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2dig s SER 3 CO -0.17 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2dig n GLY 4 N -0.32 4.57 0.29 7.32 0.00 -1.26 -4.99 105.19 110.81 2dig n GLY 4 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 2dig n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dig h SER 5 N 0.00 -1.48 -2.50 1.61 0.02 -2.08 -3.39 113.55 105.73 2dig h SER 5 Ca 0.00 0.22 -0.60 0.00 -0.84 0.00 0.00 61.79 60.58 2dig h SER 5 Cb 0.00 0.65 0.08 0.00 0.14 0.00 0.00 62.40 63.27 2dig h SER 5 CO 0.00 -0.16 0.58 -0.24 -1.14 0.00 0.00 176.83 175.86 2dig n SER 6 N -4.54 2.54 -4.10 3.07 2.88 -1.26 -4.96 113.62 107.24 2dig n SER 6 Ca 0.01 1.14 -0.34 0.00 -1.33 0.00 0.00 58.87 58.35 2dig n SER 6 Cb 0.18 -1.39 -0.14 0.00 -0.75 0.00 0.00 64.21 62.11 2dig n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dig s GLY 7 N 0.31 1.85 0.42 0.46 0.00 -1.26 -5.06 107.32 104.03 2dig s GLY 7 Ca 0.70 -2.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.06 2dig s GLY 7 CO 0.49 0.83 0.90 1.06 0.00 0.00 0.00 173.10 176.38 2dig s MET 8 N 1.11 4.14 -0.99 2.90 1.00 -1.26 -4.95 119.30 121.24 2dig s MET 8 Ca 0.02 0.99 -0.24 0.00 0.00 0.00 0.00 55.69 56.46 2dig s MET 8 Cb -0.20 -2.23 -0.06 0.00 0.00 0.00 0.00 34.83 32.33 2dig s MET 8 CO -0.04 -0.02 1.94 -1.25 0.00 0.00 0.00 175.02 175.65 2dig s PRO 9 N -3.26 2.54 -0.73 2.03 0.04 -1.26 -4.92 135.00 129.44 2dig s PRO 9 Ca 0.60 -0.55 -0.23 0.00 0.04 0.00 0.00 61.00 60.86 2dig s PRO 9 Cb -0.09 -5.12 0.06 0.00 0.04 0.00 0.00 34.50 29.39 2dig s PRO 9 CO 0.17 -3.56 1.10 -1.12 0.04 0.00 0.00 177.00 173.63 2dig s SER 10 N 7.58 6.24 0.13 6.66 0.01 -1.26 -4.99 113.70 128.08 2dig s SER 10 Ca 0.70 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 2dig s SER 10 Cb -0.05 -2.47 -0.17 0.00 0.21 0.00 0.00 66.02 63.55 2dig s SER 10 CO 0.03 -1.52 0.64 -2.11 0.41 0.00 0.00 173.24 170.69 2dig n ARG 11 N 8.13 0.00 -0.39 12.44 1.85 -1.26 -4.73 116.66 132.70 2dig n ARG 11 Ca 0.03 0.00 0.32 0.00 -1.00 0.00 0.00 57.85 57.20 2dig n ARG 11 Cb 0.47 -1.07 0.59 0.00 -1.05 0.00 0.00 32.46 31.40 2dig n ARG 11 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2dig h LYS 12 N 1.48 0.18 -4.79 2.89 3.64 -2.00 -3.33 116.57 114.63 2dig h LYS 12 Ca -0.32 -0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.42 2dig h LYS 12 Cb 1.34 -0.04 -0.36 0.00 -0.41 0.00 0.00 32.23 32.77 2dig h LYS 12 CO 0.55 0.12 -0.84 -0.06 -2.27 0.00 0.00 179.45 176.95 2dig s PHE 13 N -5.41 2.41 0.44 1.91 0.08 -1.26 -5.12 117.98 111.03 2dig s PHE 13 Ca -0.08 -1.42 -0.24 0.00 0.12 0.00 0.00 56.93 55.31 2dig s PHE 13 Cb 0.29 -1.71 -0.08 0.00 -0.57 0.00 0.00 43.02 40.95 2dig s PHE 13 CO 0.81 -0.73 1.16 0.00 -0.10 0.00 0.00 175.22 176.36 2dig s ALA 14 N 1.41 3.03 0.41 5.36 0.00 -1.25 -4.96 121.76 125.75 2dig s ALA 14 Ca 0.04 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 2dig s ALA 14 Cb -0.13 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 2dig s ALA 14 CO -0.11 -0.60 1.33 -3.47 0.00 0.00 0.00 175.76 172.91 2dig n ASP 15 N -0.30 2.87 0.00 0.00 -0.08 -1.26 -1.69 116.55 116.09 2dig n ASP 15 Ca 0.06 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 2dig n ASP 15 Cb 0.48 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.40 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 0.72 2.79 3.74 0.27 0.00 0.54 -4.95 105.19 108.30 2dig n GLY 16 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.85 2.10 -3.30 1.61 4.07 -0.68 -4.43 120.64 119.16 2dig n GLU 17 Ca 0.00 0.75 -0.45 0.00 -0.06 0.00 0.00 57.16 57.40 2dig n GLU 17 Cb 0.00 -2.53 -0.06 0.00 -0.06 0.00 0.00 31.44 28.79 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 -1.20 5.15 0.49 6.31 1.01 -1.26 -1.25 120.40 129.65 2dig s VAL 18 Ca 0.61 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2dig s VAL 18 Cb -0.47 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.60 2dig s VAL 18 CO 0.57 -0.82 0.16 0.68 0.00 0.00 0.00 175.10 175.70 2dig s VAL 19 N 1.81 1.63 -0.04 2.92 -7.23 0.75 -4.86 120.40 115.39 2dig s VAL 19 Ca 0.05 -1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 2dig s VAL 19 Cb -0.27 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 2dig s VAL 19 CO 0.05 0.00 0.47 -0.13 -0.31 0.00 0.00 175.10 175.18 2dig s ARG 20 N -3.99 4.16 -0.06 4.82 1.81 0.62 -0.12 118.95 126.20 2dig s ARG 20 Ca 0.24 0.50 0.04 0.00 -1.72 0.00 0.00 55.73 54.79 2dig s ARG 20 Cb 0.02 -3.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.20 2dig s ARG 20 CO 0.14 0.45 -0.17 0.20 -0.68 0.00 0.00 175.30 175.23 2dig s GLY 21 N -0.33 0.96 -0.59 -3.53 0.00 -0.06 0.09 107.32 103.86 2dig s GLY 21 Ca 0.26 -0.68 -0.27 0.00 0.00 0.00 0.00 44.72 44.03 2dig s GLY 21 CO 0.13 -0.26 1.12 -1.60 0.00 0.00 0.00 173.10 172.49 2dig s ARG 22 N 0.20 3.40 0.16 2.90 3.52 -0.95 -1.26 118.95 126.92 2dig s ARG 22 Ca -0.08 -0.01 -0.25 0.00 -0.13 0.00 0.00 55.73 55.26 2dig s ARG 22 Cb -0.13 -4.06 -0.15 0.00 -1.56 0.00 0.00 34.95 29.05 2dig s ARG 22 CO 0.03 -1.69 0.49 1.87 -0.81 0.00 0.00 175.30 175.19 2dig n TRP 23 N 8.24 -0.35 0.43 5.12 -0.00 -0.80 -4.79 117.44 125.28 2dig n TRP 23 Ca 0.05 0.85 0.10 0.00 -0.00 0.00 0.00 57.50 58.50 2dig n TRP 23 Cb 0.48 -1.71 0.42 0.00 -0.00 0.00 0.00 31.31 30.50 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 0.12 -0.06 5.87 -0.04 -1.26 -3.00 135.00 137.53 2dig n PRO 24 Ca 0.16 0.36 -0.05 0.00 -0.04 0.00 0.00 63.50 63.93 2dig n PRO 24 Cb 0.21 -1.73 -0.11 0.00 -0.04 0.00 0.00 33.50 31.83 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 -0.04 -0.67 3.75 0.55 0.00 -1.26 -5.04 105.19 102.48 2dig n GLY 25 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.58 4.15 -0.32 1.61 0.15 -1.16 -5.05 113.70 108.50 2dig s SER 26 Ca -0.07 -1.56 0.09 0.00 0.70 0.00 0.00 55.95 55.11 2dig s SER 26 Cb 0.05 0.34 0.58 0.00 -1.71 0.00 0.00 66.02 65.28 2dig s SER 26 CO 0.57 -0.80 1.62 -1.20 1.20 0.00 0.00 173.24 174.63 2dig n SER 27 N -1.26 3.28 -4.60 5.45 7.64 -1.26 -4.09 113.62 118.77 2dig n SER 27 Ca -0.15 -3.57 -0.32 0.00 1.01 0.00 0.00 58.87 55.84 2dig n SER 27 Cb 0.67 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 63.07 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dig s LEU 28 N -3.18 3.21 -0.14 -3.43 1.43 -1.26 -4.97 118.68 110.34 2dig s LEU 28 Ca 0.49 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 2dig s LEU 28 Cb 0.42 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 2dig s LEU 28 CO 0.06 0.29 0.20 -0.31 0.23 0.00 0.00 176.35 176.81 2dig s TYR 29 N -1.00 3.54 0.15 0.29 1.51 -1.26 -1.91 117.35 118.67 2dig s TYR 29 Ca 0.17 0.54 0.06 0.00 -1.01 0.00 0.00 57.07 56.83 2dig s TYR 29 Cb -0.11 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2dig s TYR 29 CO 0.08 0.51 -0.14 0.71 -1.11 0.00 0.00 175.55 175.60 2dig s TYR 30 N -0.37 1.49 -0.06 2.71 2.02 -0.39 -4.83 117.35 117.92 2dig s TYR 30 Ca 0.14 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 55.96 2dig s TYR 30 Cb -0.12 -0.75 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 2dig s TYR 30 CO 0.03 0.20 1.73 -2.00 -1.57 0.00 0.00 175.55 173.95 2dig s GLU 31 N -3.08 4.08 0.05 -0.62 2.12 -1.26 -0.88 118.70 119.11 2dig s GLU 31 Ca 0.14 2.20 -0.00 0.00 0.36 0.00 0.00 54.97 57.66 2dig s GLU 31 Cb -0.03 -4.04 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 2dig s GLU 31 CO 0.04 -0.98 -0.04 0.14 -0.54 0.00 0.00 175.26 173.88 2dig s VAL 32 N 4.45 0.28 0.10 3.70 -7.23 0.83 -4.23 120.40 118.29 2dig s VAL 32 Ca 0.77 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 2dig s VAL 32 Cb -0.34 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2dig s VAL 32 CO 0.32 -0.82 0.16 -0.70 -0.31 0.00 0.00 175.10 173.75 2dig s GLU 33 N -3.16 3.14 -0.24 4.82 2.12 -0.51 -0.18 118.70 124.69 2dig s GLU 33 Ca 0.01 -0.63 -0.21 0.00 0.36 0.00 0.00 54.97 54.51 2dig s GLU 33 Cb 0.02 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 2dig s GLU 33 CO -0.06 0.56 0.64 0.42 -0.54 0.00 0.00 175.26 176.28 2dig s ILE 34 N -1.53 4.98 -0.20 -3.70 -1.09 -0.38 -1.15 121.20 118.12 2dig s ILE 34 Ca 0.32 1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 59.76 2dig s ILE 34 Cb -0.12 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.72 2dig s ILE 34 CO 0.25 0.04 -0.18 0.18 -1.23 0.00 0.00 174.94 174.00 2dig n LEU 35 N 5.57 1.89 -3.50 2.97 4.77 0.31 -0.34 117.00 128.67 2dig n LEU 35 Ca -0.00 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 2dig n LEU 35 Cb 0.49 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 2dig n LEU 35 CO 0.43 0.02 0.52 -0.44 -1.33 0.00 0.00 177.39 176.60 2dig s SER 36 N -6.49 -0.54 -0.10 -1.43 0.01 -1.16 -4.78 113.70 99.22 2dig s SER 36 Ca -0.28 0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 2dig s SER 36 Cb 0.07 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2dig s SER 36 CO 0.43 -0.68 0.05 -2.28 0.41 0.00 0.00 173.24 171.17 2dig s HIS 37 N -2.28 3.31 -0.97 2.43 2.46 -1.26 -0.25 115.29 118.73 2dig s HIS 37 Ca -0.03 0.31 -0.04 0.00 0.47 0.00 0.00 55.06 55.76 2dig s HIS 37 Cb -0.01 -1.84 0.24 0.00 -0.13 0.00 0.00 32.58 30.85 2dig s HIS 37 CO -0.02 0.56 0.89 0.34 -2.47 0.00 0.00 174.74 174.05 2dig s ASP 38 N -0.94 6.44 0.61 9.88 -1.08 0.21 -4.88 116.67 126.91 2dig s ASP 38 Ca 0.14 -3.70 0.27 0.00 -0.52 0.00 0.00 52.55 48.74 2dig s ASP 38 Cb -0.12 -2.01 1.29 0.00 -1.46 0.00 0.00 42.92 40.63 2dig s ASP 38 CO 0.03 -0.21 1.71 0.77 0.52 0.00 0.00 175.17 177.98 2dig h SER 39 N 6.20 0.00 0.40 -0.34 4.64 -1.93 0.56 113.55 123.08 2dig h SER 39 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2dig h SER 39 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 2dig h SER 39 CO 0.91 0.00 -0.37 0.74 -0.87 0.00 0.00 176.83 177.24 2dig h THR 40 N 0.00 0.24 -0.08 2.95 2.02 -1.94 -3.22 112.91 112.88 2dig h THR 40 Ca 0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 2dig h THR 40 Cb 1.62 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2dig h THR 40 CO -0.00 0.00 -0.21 -1.20 0.37 0.00 0.00 175.52 174.48 2dig n SER 41 N -5.48 2.26 -2.44 4.18 7.64 -0.41 -4.95 113.62 114.43 2dig n SER 41 Ca -0.10 -3.52 -0.08 0.00 1.01 0.00 0.00 58.87 56.18 2dig n SER 41 Cb 0.38 -0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.17 -2.46 -3.53 1.43 1.13 0.18 -4.90 117.38 108.06 2dig n GLN 42 Ca 0.20 0.40 -0.37 0.00 -1.94 0.00 0.00 57.00 55.29 2dig n GLN 42 Cb 0.75 -4.96 -0.08 0.00 0.11 0.00 0.00 30.24 26.07 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 -5.36 4.19 -0.26 1.08 1.43 -0.94 -3.17 118.68 115.66 2dig s LEU 43 Ca 0.00 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 2dig s LEU 43 Cb 0.00 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2dig s LEU 43 CO 0.00 0.05 0.15 -0.31 0.23 0.00 0.00 176.35 176.47 2dig s TYR 44 N 0.81 3.24 -0.61 0.29 1.51 0.11 0.65 117.35 123.34 2dig s TYR 44 Ca 0.15 0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 56.03 2dig s TYR 44 Cb -0.13 -2.30 0.04 0.00 -0.11 0.00 0.00 41.96 39.45 2dig s TYR 44 CO 0.05 -0.09 1.12 0.99 -1.11 0.00 0.00 175.55 176.51 2dig s THR 45 N 1.40 4.09 0.16 -0.71 2.01 0.66 -0.91 115.64 122.34 2dig s THR 45 Ca 0.07 0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.68 2dig s THR 45 Cb -0.15 -4.71 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 2dig s THR 45 CO 0.07 -1.39 0.00 0.68 -0.69 0.00 0.00 174.62 173.29 2dig s VAL 46 N 4.76 3.78 -0.08 3.82 -7.23 -0.87 -0.53 120.40 124.05 2dig s VAL 46 Ca 0.36 -1.34 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 2dig s VAL 46 Cb -0.10 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 2dig s VAL 46 CO 0.21 -0.07 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.97 2dig s LYS 47 N -2.83 2.78 0.36 4.82 2.20 -0.30 -2.18 119.74 124.58 2dig s LYS 47 Ca 0.27 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 55.03 2dig s LYS 47 Cb -0.10 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 2dig s LYS 47 CO 0.19 0.36 0.61 0.71 -0.36 0.00 0.00 175.35 176.85 2dig s TYR 48 N -0.08 3.51 0.31 4.03 1.51 0.40 -1.43 117.35 125.60 2dig s TYR 48 Ca -0.05 0.56 0.04 0.00 -1.01 0.00 0.00 57.07 56.62 2dig s TYR 48 Cb -0.14 -2.07 0.65 0.00 -0.11 0.00 0.00 41.96 40.29 2dig s TYR 48 CO 0.04 0.04 1.85 1.57 -1.11 0.00 0.00 175.55 177.94 2dig h LYS 49 N 0.92 0.86 0.00 -0.62 5.09 -1.90 0.29 116.57 121.21 2dig h LYS 49 Ca -0.48 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.20 2dig h LYS 49 Cb 1.21 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 33.34 2dig h LYS 49 CO 0.63 0.57 0.00 -0.44 -2.09 0.00 0.00 179.45 178.12 2dig h ASP 50 N 0.88 0.00 -0.23 7.07 5.19 -1.95 -3.45 116.42 123.94 2dig h ASP 50 Ca 0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 2dig h ASP 50 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2dig h ASP 50 CO -0.24 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.49 2dig n GLY 51 N -1.01 0.77 3.24 2.75 0.00 0.10 -5.12 105.19 105.92 2dig n GLY 51 Ca -0.02 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.78 1.69 -0.09 2.61 2.01 -1.22 -4.91 115.64 113.94 2dig s THR 52 Ca 0.00 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.04 2dig s THR 52 Cb 0.00 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2dig s THR 52 CO 0.00 0.41 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.59 2dig s GLU 53 N -0.66 2.95 0.24 4.92 2.02 -1.26 -0.45 118.70 126.45 2dig s GLU 53 Ca 0.08 -0.70 -0.05 0.00 0.02 0.00 0.00 54.97 54.32 2dig s GLU 53 Cb -0.08 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 2dig s GLU 53 CO -0.00 0.40 0.29 -0.51 0.02 0.00 0.00 175.26 175.46 2dig s LEU 54 N -0.16 0.89 -0.32 1.80 1.43 -0.93 -5.00 118.68 116.39 2dig s LEU 54 Ca -0.01 -1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 51.78 2dig s LEU 54 Cb -0.13 0.97 0.03 0.00 0.03 0.00 0.00 46.19 47.09 2dig s LEU 54 CO 0.03 -1.00 0.07 -1.61 0.23 0.00 0.00 176.35 174.08 2dig s GLU 55 N -3.97 2.70 -0.11 1.70 2.02 -1.26 -2.05 118.70 117.73 2dig s GLU 55 Ca 0.33 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 54.22 2dig s GLU 55 Cb 0.03 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 2dig s GLU 55 CO 0.13 -0.59 -0.17 -0.51 0.02 0.00 0.00 175.26 174.14 2dig s LEU 56 N 1.39 2.52 0.84 1.80 1.43 -0.09 -4.80 118.68 121.78 2dig s LEU 56 Ca -0.01 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2dig s LEU 56 Cb -0.19 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.59 2dig s LEU 56 CO 0.02 0.18 1.14 -0.54 0.23 0.00 0.00 176.35 177.38 2dig s LYS 57 N 0.28 1.55 0.46 1.70 1.02 -1.26 0.04 119.74 123.52 2dig s LYS 57 Ca -0.12 1.50 0.23 0.00 0.02 0.00 0.00 55.97 57.60 2dig s LYS 57 Cb -0.16 -1.79 1.24 0.00 -0.52 0.00 0.00 37.83 36.60 2dig s LYS 57 CO 0.06 -2.23 1.84 1.49 -0.92 0.00 0.00 175.35 175.60 2dig h GLU 58 N -1.36 0.25 0.13 1.68 4.81 -1.91 0.11 114.58 118.29 2dig h GLU 58 Ca -0.44 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.48 2dig h GLU 58 Cb 1.26 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 30.61 2dig h GLU 58 CO 0.46 0.17 -1.25 -0.91 -0.73 0.00 0.00 179.01 176.74 2dig h ASN 59 N 0.26 0.80 -0.08 1.04 4.21 -1.91 -3.22 115.58 116.69 2dig h ASN 59 Ca 0.50 -0.76 0.02 0.00 1.21 0.00 0.00 56.30 57.27 2dig h ASN 59 Cb 1.49 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2dig h ASN 59 CO -0.14 1.57 0.07 0.44 -1.29 0.00 0.00 177.43 178.08 2dig h ASP 60 N 0.24 0.00 -3.37 5.81 3.32 -1.13 -3.40 116.42 117.90 2dig h ASP 60 Ca -0.18 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.29 2dig h ASP 60 Cb 1.93 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.39 2dig h ASP 60 CO 0.23 0.00 -0.08 -0.63 -1.72 0.00 0.00 179.24 177.04 2dig s ILE 61 N -4.77 5.15 0.05 0.35 1.01 -0.80 -2.23 121.20 119.95 2dig s ILE 61 Ca -0.05 1.01 0.09 0.00 0.00 0.00 0.00 60.65 61.70 2dig s ILE 61 Cb 0.16 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2dig s ILE 61 CO 0.59 0.27 -0.26 -0.54 0.00 0.00 0.00 174.94 175.01 2dig s LYS 62 N 0.94 1.71 0.17 2.79 -0.14 0.11 -4.94 119.74 120.39 2dig s LYS 62 Ca 0.27 -1.11 -0.07 0.00 -1.36 0.00 0.00 55.97 53.70 2dig s LYS 62 Cb -0.15 -1.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.07 2dig s LYS 62 CO 0.11 0.49 0.24 -1.54 -0.76 0.00 0.00 175.35 173.89 2dig s SER 63 N -1.30 0.09 0.00 2.83 1.04 -1.26 -0.28 113.70 114.83 2dig s SER 63 Ca 0.11 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2dig s SER 63 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2dig s SER 63 CO 0.02 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2dig n GLY 64 N -0.21 3.10 0.16 7.32 0.00 -1.26 -5.05 105.19 109.25 2dig n GLY 64 Ca -0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2dig n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dig h PRO 65 N 0.00 0.45 -3.74 1.61 0.13 -2.04 -3.43 132.00 124.98 2dig h PRO 65 Ca 0.00 -0.24 -0.32 0.00 -0.87 0.00 0.00 66.00 64.57 2dig h PRO 65 Cb 0.00 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 2dig h PRO 65 CO 0.00 0.81 1.43 -1.13 -0.23 0.00 0.00 178.00 178.88 2dig n SER 66 N -4.47 -0.47 -4.64 1.44 3.41 -1.26 -4.83 113.62 102.79 2dig n SER 66 Ca -0.05 -0.15 -0.36 0.00 -0.26 0.00 0.00 58.87 58.04 2dig n SER 66 Cb 0.39 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 2dig n SER 66 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dig s SER 67 N 3.22 5.96 0.00 4.04 1.04 -1.26 -5.13 113.70 121.57 2dig s SER 67 Ca 1.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2dig s SER 67 Cb -0.78 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2dig s SER 67 CO 0.40 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.30