#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh n SER 2 N 0.00 -7.58 -4.90 1.61 7.64 -1.26 -4.95 113.62 104.19 2eeh n SER 2 Ca 0.00 1.43 -0.29 0.00 1.01 0.00 0.00 58.87 61.02 2eeh n SER 2 Cb 0.00 -4.28 0.08 0.00 -1.01 0.00 0.00 64.21 59.00 2eeh n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eeh s SER 3 N -4.38 4.73 0.00 6.43 1.04 -1.26 -5.03 113.70 115.24 2eeh s SER 3 Ca 0.00 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2eeh s SER 3 Cb 0.00 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.69 2eeh s SER 3 CO 0.00 -1.77 0.00 0.61 0.98 0.00 0.00 173.24 173.06 2eeh n GLY 4 N -3.24 -0.16 1.55 7.32 0.00 -1.26 -5.17 105.19 104.23 2eeh n GLY 4 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2eeh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 5 N 2.70 -8.36 -3.64 1.61 7.64 -1.26 -5.08 113.62 107.23 2eeh n SER 5 Ca 0.00 1.85 -0.03 0.00 1.01 0.00 0.00 58.87 61.71 2eeh n SER 5 Cb 0.00 -5.01 -0.02 0.00 -1.01 0.00 0.00 64.21 58.17 2eeh n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eeh s SER 6 N -5.40 -0.04 -0.07 6.43 1.04 -1.26 -5.16 113.70 109.25 2eeh s SER 6 Ca 0.00 0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2eeh s SER 6 Cb 0.00 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.17 2eeh s SER 6 CO 0.00 -0.06 -0.11 -0.83 0.98 0.00 0.00 173.24 173.22 2eeh s GLY 7 N -1.98 0.78 0.00 7.32 0.00 -1.26 -4.87 107.32 107.31 2eeh s GLY 7 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2eeh s GLY 7 CO -0.03 0.21 0.00 1.44 0.00 0.00 0.00 173.10 174.72 2eeh n SER 8 N 3.95 0.00 -4.74 1.64 7.64 -1.26 -4.81 113.62 116.04 2eeh n SER 8 Ca -0.22 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.24 2eeh n SER 8 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 2eeh n SER 8 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2eeh s ASP 9 N 0.00 6.45 0.12 6.43 1.11 -1.26 -3.86 116.67 125.66 2eeh s ASP 9 Ca 0.00 2.84 0.03 0.00 0.18 0.00 0.00 52.55 55.60 2eeh s ASP 9 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2eeh s ASP 9 CO 0.00 -0.88 -0.09 -0.63 1.18 0.00 0.00 175.17 174.75 2eeh s ILE 10 N 0.41 0.95 0.08 0.77 1.01 -0.97 -4.87 121.20 118.58 2eeh s ILE 10 Ca 0.66 -1.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 2eeh s ILE 10 Cb -0.47 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2eeh s ILE 10 CO 0.41 -0.74 0.30 -0.63 0.00 0.00 0.00 174.94 174.28 2eeh s ILE 11 N -3.21 5.27 -0.16 2.92 -1.09 -1.26 -3.01 121.20 120.66 2eeh s ILE 11 Ca 0.12 -0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.48 2eeh s ILE 11 Cb 0.02 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 2eeh s ILE 11 CO -0.01 0.17 -0.06 -1.00 -1.23 0.00 0.00 174.94 172.81 2eeh s HIS 12 N -1.51 2.97 -0.19 3.97 3.76 -1.04 -4.97 115.29 118.28 2eeh s HIS 12 Ca 0.35 -0.44 -0.09 0.00 -0.15 0.00 0.00 55.06 54.73 2eeh s HIS 12 Cb -0.13 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2eeh s HIS 12 CO 0.23 -0.13 0.11 -1.54 -0.85 0.00 0.00 174.74 172.56 2eeh s SER 13 N 0.48 6.04 -0.02 1.40 1.04 -1.26 -3.46 113.70 117.92 2eeh s SER 13 Ca -0.05 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 2eeh s SER 13 Cb -0.15 -2.05 0.01 0.00 0.10 0.00 0.00 66.02 63.93 2eeh s SER 13 CO 0.03 0.18 0.20 0.54 0.98 0.00 0.00 173.24 175.17 2eeh s VAL 14 N 0.33 0.06 -0.24 5.02 0.11 -1.22 -4.99 120.40 119.47 2eeh s VAL 14 Ca 0.07 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2eeh s VAL 14 Cb -0.11 -0.46 0.07 0.00 -1.53 0.00 0.00 36.38 34.34 2eeh s VAL 14 CO -0.01 -0.29 0.03 -0.13 -3.33 0.00 0.00 175.10 171.37 2eeh s ARG 15 N -1.13 0.99 0.15 1.54 0.52 -1.25 -2.88 118.95 116.88 2eeh s ARG 15 Ca -0.12 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2eeh s ARG 15 Cb -0.06 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2eeh s ARG 15 CO 0.02 -0.73 0.33 0.08 0.02 0.00 0.00 175.30 175.02 2eeh s VAL 16 N 1.62 5.25 0.09 3.52 1.01 -0.91 -4.69 120.40 126.29 2eeh s VAL 16 Ca 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2eeh s VAL 16 Cb -0.18 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2eeh s VAL 16 CO -0.12 -0.04 -0.16 -1.61 0.00 0.00 0.00 175.10 173.17 2eeh s GLU 17 N -2.98 1.96 0.19 2.72 2.02 -1.26 -2.11 118.70 119.25 2eeh s GLU 17 Ca 0.38 -1.08 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 2eeh s GLU 17 Cb -0.12 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 2eeh s GLU 17 CO 0.28 0.51 1.18 -1.59 0.02 0.00 0.00 175.26 175.65 2eeh s LYS 18 N -1.97 4.51 0.13 1.61 -2.85 -1.26 -4.91 119.74 115.00 2eeh s LYS 18 Ca 0.18 1.85 0.08 0.00 -1.00 0.00 0.00 55.97 57.08 2eeh s LYS 18 Cb -0.11 -3.24 -0.04 0.00 -2.06 0.00 0.00 37.83 32.38 2eeh s LYS 18 CO 0.10 -0.05 -0.13 -1.54 0.10 0.00 0.00 175.35 173.83 2eeh s SER 19 N 0.02 4.18 -1.03 0.03 1.04 -1.26 -5.01 113.70 111.67 2eeh s SER 19 Ca 0.52 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 2eeh s SER 19 Cb -0.32 -0.70 -0.09 0.00 0.10 0.00 0.00 66.02 65.01 2eeh s SER 19 CO 0.37 0.16 2.53 -0.81 0.98 0.00 0.00 173.24 176.47 2eeh n PRO 20 N 0.58 2.58 0.09 4.02 -0.04 -1.26 -3.68 135.00 137.29 2eeh n PRO 20 Ca -0.14 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 2eeh n PRO 20 Cb 0.53 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2eeh n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eeh n ALA 21 N 3.73 3.00 0.00 0.55 0.00 -1.26 -5.14 120.51 121.39 2eeh n ALA 21 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2eeh n ALA 21 Cb 0.25 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2eeh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eeh n GLY 22 N 2.65 0.12 3.62 0.00 0.00 -1.24 -5.12 105.19 105.23 2eeh n GLY 22 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2eeh n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eeh n ARG 23 N 0.00 0.03 -1.21 1.61 1.74 -1.26 -4.92 116.66 112.65 2eeh n ARG 23 Ca 0.00 0.08 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 2eeh n ARG 23 Cb 0.00 -2.27 0.10 0.00 -1.02 0.00 0.00 32.46 29.27 2eeh n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2eeh n LEU 24 N -2.77 3.00 0.01 0.55 7.99 -1.26 -4.83 117.00 119.68 2eeh n LEU 24 Ca 0.12 0.60 0.06 0.00 -0.01 0.00 0.00 56.01 56.77 2eeh n LEU 24 Cb 0.51 -1.39 0.25 0.00 -0.11 0.00 0.00 43.42 42.68 2eeh n LEU 24 CO 0.49 -2.26 0.68 0.61 -1.51 0.00 0.00 177.39 175.40 2eeh n GLY 25 N 1.05 -0.89 3.28 -0.72 0.00 -1.26 -4.64 105.19 102.01 2eeh n GLY 25 Ca 0.12 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2eeh n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eeh s PHE 26 N -3.02 1.82 -0.11 1.61 -0.12 -1.26 -1.24 117.98 115.66 2eeh s PHE 26 Ca 0.05 -0.40 -0.19 0.00 -0.05 0.00 0.00 56.93 56.34 2eeh s PHE 26 Cb 0.07 -1.03 -0.04 0.00 -0.63 0.00 0.00 43.02 41.40 2eeh s PHE 26 CO 0.21 0.17 0.51 0.45 -0.05 0.00 0.00 175.22 176.51 2eeh s SER 27 N -1.68 6.73 0.25 1.98 0.15 0.25 -4.94 113.70 116.44 2eeh s SER 27 Ca 0.07 0.87 0.09 0.00 0.70 0.00 0.00 55.95 57.68 2eeh s SER 27 Cb -0.10 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2eeh s SER 27 CO 0.03 -0.02 0.04 0.68 1.20 0.00 0.00 173.24 175.18 2eeh s VAL 28 N 0.65 3.69 0.08 4.45 -7.23 -1.26 0.63 120.40 121.40 2eeh s VAL 28 Ca 0.28 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2eeh s VAL 28 Cb -0.15 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 2eeh s VAL 28 CO 0.11 -0.34 -0.09 0.00 -0.31 0.00 0.00 175.10 174.47 2eeh s ARG 29 N -3.63 0.75 0.00 4.82 1.70 0.23 -4.79 118.95 118.03 2eeh s ARG 29 Ca 0.31 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 2eeh s ARG 29 Cb -0.07 -0.44 0.00 0.00 -0.57 0.00 0.00 34.95 33.87 2eeh s ARG 29 CO 0.21 0.07 0.00 0.41 -1.08 0.00 0.00 175.30 174.90 2eeh n GLY 30 N 0.81 -0.15 0.00 3.88 0.00 -1.26 -2.59 105.19 105.87 2eeh n GLY 30 Ca -0.18 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2eeh n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eeh n GLY 31 N 0.00 -0.07 3.15 -0.02 0.00 -1.26 -5.01 105.19 101.98 2eeh n GLY 31 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.62 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 32 N 2.00 -0.61 0.00 1.61 1.04 -1.26 -4.11 113.70 112.37 2eeh s SER 32 Ca 0.00 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2eeh s SER 32 Cb 0.00 1.47 0.00 0.00 0.10 0.00 0.00 66.02 67.59 2eeh s SER 32 CO 0.00 -0.11 0.00 1.21 0.98 0.00 0.00 173.24 175.32 2eeh n GLU 33 N 5.38 0.00 0.11 4.02 2.13 -1.26 -4.96 120.64 126.07 2eeh n GLU 33 Ca -0.02 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.60 2eeh n GLU 33 Cb 0.54 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.12 2eeh n GLU 33 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2eeh h HIS 34 N 0.00 0.81 0.00 4.31 3.86 -2.00 -3.48 115.15 118.65 2eeh h HIS 34 Ca 0.00 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 2eeh h HIS 34 Cb 0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2eeh h HIS 34 CO 0.00 1.41 0.00 0.41 0.86 0.00 0.00 177.93 180.61 2eeh n GLY 35 N 1.48 0.72 0.02 2.45 0.00 -1.26 -5.05 105.19 103.54 2eeh n GLY 35 Ca -0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 2eeh n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2eeh n LEU 36 N 0.00 2.57 0.00 0.99 -0.00 -1.26 -4.98 117.00 114.32 2eeh n LEU 36 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2eeh n LEU 36 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2eeh n LEU 36 CO 0.00 0.50 0.00 0.61 -0.00 0.00 0.00 177.39 178.50 2eeh n GLY 37 N 3.22 0.79 3.57 1.47 0.00 -1.25 -4.82 105.19 108.17 2eeh n GLY 37 Ca -0.07 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 2eeh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eeh s ILE 38 N 0.00 3.61 0.02 -0.61 -1.09 -1.22 -4.12 121.20 117.79 2eeh s ILE 38 Ca 0.00 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 2eeh s ILE 38 Cb 0.00 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 2eeh s ILE 38 CO 0.00 0.57 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.82 2eeh s PHE 39 N -0.82 0.90 0.28 3.97 0.40 -1.07 -2.06 117.98 119.58 2eeh s PHE 39 Ca 0.13 -0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 2eeh s PHE 39 Cb -0.11 -0.55 -0.09 0.00 0.51 0.00 0.00 43.02 42.79 2eeh s PHE 39 CO 0.02 -0.01 0.76 0.08 0.70 0.00 0.00 175.22 176.77 2eeh s VAL 40 N -0.73 4.58 0.02 -0.44 1.01 0.66 0.78 120.40 126.28 2eeh s VAL 40 Ca -0.01 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2eeh s VAL 40 Cb -0.07 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2eeh s VAL 40 CO 0.00 0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.59 2eeh n SER 41 N 0.21 0.07 -4.29 3.32 3.41 0.20 -4.26 113.62 112.28 2eeh n SER 41 Ca 0.01 0.03 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2eeh n SER 41 Cb 0.52 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2eeh s LYS 42 N -2.00 1.19 -0.28 4.33 2.20 -0.76 -4.57 119.74 119.84 2eeh s LYS 42 Ca 0.00 -1.53 -0.02 0.00 -0.36 0.00 0.00 55.97 54.06 2eeh s LYS 42 Cb 0.00 -0.79 0.12 0.00 -1.51 0.00 0.00 37.83 35.65 2eeh s LYS 42 CO 0.00 0.09 0.23 0.08 -0.36 0.00 0.00 175.35 175.39 2eeh s VAL 43 N -3.22 -0.28 0.03 4.02 1.01 -1.26 0.87 120.40 121.57 2eeh s VAL 43 Ca 0.20 -0.54 -0.39 0.00 0.00 0.00 0.00 61.98 61.25 2eeh s VAL 43 Cb 0.02 -0.95 -0.19 0.00 0.00 0.00 0.00 36.38 35.26 2eeh s VAL 43 CO 0.04 -0.53 1.18 1.21 0.00 0.00 0.00 175.10 177.00 2eeh n GLU 44 N 5.29 0.45 -1.41 2.72 0.00 -0.37 -4.84 120.64 122.48 2eeh n GLU 44 Ca -0.04 0.16 -0.31 0.00 0.00 0.00 0.00 57.16 56.98 2eeh n GLU 44 Cb 0.45 -1.72 0.08 0.00 0.00 0.00 0.00 31.44 30.26 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2eeh s GLU 45 N 0.21 2.33 -0.99 5.31 -1.05 -1.26 -3.22 118.70 120.04 2eeh s GLU 45 Ca 0.89 0.96 0.00 0.00 -0.15 0.00 0.00 54.97 56.67 2eeh s GLU 45 Cb -1.15 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 2eeh s GLU 45 CO 0.53 -1.53 0.00 0.41 0.95 0.00 0.00 175.26 175.62 2eeh n GLY 46 N -1.62 0.31 3.30 -3.83 0.00 -1.26 -4.91 105.19 97.18 2eeh n GLY 46 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 47 N -0.88 1.75 0.08 1.61 3.41 -1.20 -5.02 113.62 113.37 2eeh n SER 47 Ca -0.11 -2.28 -0.11 0.00 -0.26 0.00 0.00 58.87 56.11 2eeh n SER 47 Cb 0.45 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2eeh n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2eeh h SER 48 N 0.05 0.37 0.28 4.04 4.64 -1.91 -3.04 113.55 118.00 2eeh h SER 48 Ca -0.23 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 2eeh h SER 48 Cb 1.05 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2eeh h SER 48 CO 0.33 1.12 -0.13 0.00 -0.87 0.00 0.00 176.83 177.27 2eeh h ALA 49 N 0.85 -0.88 -1.58 5.18 0.00 -1.88 1.50 119.26 122.45 2eeh h ALA 49 Ca -0.06 -0.08 0.46 0.00 0.00 0.00 0.00 54.91 55.22 2eeh h ALA 49 Cb 1.57 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2eeh h ALA 49 CO 0.15 -0.86 1.14 1.49 0.00 0.00 0.00 179.25 181.17 2eeh h GLU 50 N -0.45 0.00 0.11 0.00 4.81 -1.65 1.58 114.58 118.98 2eeh h GLU 50 Ca -0.04 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.87 2eeh h GLU 50 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2eeh h GLU 50 CO 0.06 0.00 -1.66 0.00 -0.73 0.00 0.00 179.01 176.68 2eeh h ARG 51 N 0.00 0.23 0.00 1.92 3.08 -1.37 -3.29 114.38 114.96 2eeh h ARG 51 Ca 0.75 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 2eeh h ARG 51 Cb 3.02 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 33.22 2eeh h ARG 51 CO -0.01 1.07 -0.05 0.00 -1.07 0.00 0.00 179.97 179.91 2eeh h ALA 52 N 0.45 1.17 0.00 0.04 0.00 1.35 -3.45 119.26 118.83 2eeh h ALA 52 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2eeh h ALA 52 Cb 2.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2eeh h ALA 52 CO 0.14 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2eeh n GLY 53 N -0.75 1.56 3.69 0.00 0.00 0.46 -4.23 105.19 105.92 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2eeh n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eeh s LEU 54 N 0.00 4.30 0.00 0.99 2.96 -0.73 -4.94 118.68 121.26 2eeh s LEU 54 Ca 0.00 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 2eeh s LEU 54 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2eeh s LEU 54 CO 0.00 -0.65 0.00 0.00 -1.32 0.00 0.00 176.35 174.38 2eeh s VAL 56 N -1.59 4.76 0.00 0.00 1.01 -1.26 -4.38 120.40 118.94 2eeh s VAL 56 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2eeh s VAL 56 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2eeh s VAL 56 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2eeh n GLY 57 N -0.12 0.66 3.11 4.51 0.00 -1.26 -5.06 105.19 107.03 2eeh n GLY 57 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2eeh n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eeh s ASP 58 N -2.51 0.96 -0.31 1.61 1.11 -1.26 -5.05 116.67 111.22 2eeh s ASP 58 Ca 0.00 -0.77 0.01 0.00 0.18 0.00 0.00 52.55 51.97 2eeh s ASP 58 Cb 0.00 0.07 0.09 0.00 1.07 0.00 0.00 42.92 44.15 2eeh s ASP 58 CO 0.00 -0.34 0.06 -0.75 1.18 0.00 0.00 175.17 175.33 2eeh s LYS 59 N -2.66 1.05 -0.22 8.23 2.20 -1.26 -0.25 119.74 126.84 2eeh s LYS 59 Ca 0.00 -1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.04 2eeh s LYS 59 Cb -0.03 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.83 2eeh s LYS 59 CO -0.02 -0.91 1.64 0.42 -0.36 0.00 0.00 175.35 176.12 2eeh s ILE 60 N 1.38 3.65 -0.16 5.43 1.01 -0.88 -3.49 121.20 128.16 2eeh s ILE 60 Ca 0.08 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.56 2eeh s ILE 60 Cb -0.18 -3.67 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 2eeh s ILE 60 CO -0.17 -0.29 0.22 0.35 0.00 0.00 0.00 174.94 175.06 2eeh n THR 61 N 6.46 1.53 -3.94 2.92 -2.24 -0.25 -3.64 114.28 115.12 2eeh n THR 61 Ca 0.19 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 2eeh n THR 61 Cb 0.45 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.59 2eeh n THR 61 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2eeh s GLU 62 N -2.54 0.50 -0.04 -0.78 2.12 -1.09 -0.73 118.70 116.14 2eeh s GLU 62 Ca -0.15 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.45 2eeh s GLU 62 Cb 0.07 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.67 2eeh s GLU 62 CO 0.78 -0.11 0.17 0.08 -0.54 0.00 0.00 175.26 175.63 2eeh s VAL 63 N -2.10 0.03 -0.95 3.70 1.01 0.24 0.59 120.40 122.92 2eeh s VAL 63 Ca -0.09 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 2eeh s VAL 63 Cb -0.04 -0.34 0.12 0.00 0.00 0.00 0.00 36.38 36.12 2eeh s VAL 63 CO -0.02 -0.15 0.30 -3.20 0.00 0.00 0.00 175.10 172.03 2eeh n ASN 64 N 2.35 -1.40 0.00 3.32 2.85 0.13 0.20 115.26 122.70 2eeh n ASN 64 Ca -0.17 -0.39 0.00 0.00 -0.11 0.00 0.00 54.58 53.91 2eeh n ASN 64 Cb 0.57 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.31 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eeh n GLY 65 N -0.78 1.76 3.73 8.20 0.00 -1.26 -4.94 105.19 111.90 2eeh n GLY 65 Ca 0.06 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2eeh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 66 N 0.00 4.37 0.27 0.99 1.43 0.52 -4.97 118.68 121.29 2eeh s LEU 66 Ca 0.00 2.81 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 2eeh s LEU 66 Cb 0.00 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 2eeh s LEU 66 CO 0.00 -0.91 0.79 -0.44 0.23 0.00 0.00 176.35 176.02 2eeh s SER 67 N 0.99 7.07 -0.23 2.29 0.01 -1.26 0.82 113.70 123.38 2eeh s SER 67 Ca 0.70 1.51 0.14 0.00 1.31 0.00 0.00 55.95 59.61 2eeh s SER 67 Cb -0.47 -2.46 0.46 0.00 0.21 0.00 0.00 66.02 63.76 2eeh s SER 67 CO 0.35 -0.05 1.17 0.18 0.41 0.00 0.00 173.24 175.30 2eeh n LEU 68 N 0.42 3.22 0.21 2.44 4.77 0.09 -4.66 117.00 123.49 2eeh n LEU 68 Ca 0.00 -3.85 0.13 0.00 -0.03 0.00 0.00 56.01 52.26 2eeh n LEU 68 Cb 0.51 -0.14 0.28 0.00 -2.33 0.00 0.00 43.42 41.74 2eeh n LEU 68 CO 0.43 1.52 0.85 -0.33 -1.33 0.00 0.00 177.39 178.53 2eeh h GLU 69 N 1.92 0.00 -0.05 3.23 5.08 -1.87 -3.25 114.58 119.64 2eeh h GLU 69 Ca 0.10 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 2eeh h GLU 69 Cb 1.41 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.43 2eeh h GLU 69 CO 0.39 0.00 -0.55 0.45 -1.00 0.00 0.00 179.01 178.30 2eeh n SER 70 N -2.96 -0.34 -4.88 1.42 2.88 -1.26 -3.76 113.62 104.71 2eeh n SER 70 Ca 0.04 -2.05 -0.32 0.00 -1.33 0.00 0.00 58.87 55.21 2eeh n SER 70 Cb 0.48 0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2eeh s THR 71 N -0.41 5.21 0.34 2.46 2.01 -1.26 -5.04 115.64 118.95 2eeh s THR 71 Ca 0.13 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 2eeh s THR 71 Cb 0.22 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 2eeh s THR 71 CO -0.07 0.20 1.21 0.42 -0.69 0.00 0.00 174.62 175.69 2eeh s THR 72 N -1.41 3.06 0.13 -0.82 -4.23 -1.26 -4.68 115.64 106.43 2eeh s THR 72 Ca 0.31 1.01 -0.31 0.00 -1.18 0.00 0.00 61.69 61.52 2eeh s THR 72 Cb -0.13 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 2eeh s THR 72 CO 0.23 0.20 1.56 -0.03 -0.54 0.00 0.00 174.62 176.04 2eeh h MET 73 N 3.26 -0.42 0.00 3.99 4.05 -1.96 -1.81 114.93 122.04 2eeh h MET 73 Ca -0.48 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2eeh h MET 73 Cb 1.23 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 2eeh h MET 73 CO 0.65 -0.28 0.00 0.41 0.23 0.00 0.00 176.91 177.92 2eeh n GLY 74 N -1.41 -3.13 0.35 1.39 0.00 -1.26 -0.11 105.19 101.01 2eeh n GLY 74 Ca -0.03 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 2eeh n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 75 N -2.93 -0.87 -0.29 1.61 7.64 -1.06 0.13 113.62 117.84 2eeh n SER 75 Ca 0.00 1.61 0.10 0.00 1.01 0.00 0.00 58.87 61.59 2eeh n SER 75 Cb 0.00 -0.26 0.22 0.00 -1.01 0.00 0.00 64.21 63.16 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh h ALA 76 N 0.27 1.00 -0.27 -0.43 0.00 -0.39 0.66 119.26 120.10 2eeh h ALA 76 Ca 0.13 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2eeh h ALA 76 Cb 0.34 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2eeh h ALA 76 CO -0.77 -0.47 0.07 0.28 0.00 0.00 0.00 179.25 178.35 2eeh h VAL 77 N 0.10 1.21 -0.56 0.00 2.07 0.45 1.13 116.25 120.66 2eeh h VAL 77 Ca 0.50 -0.71 0.16 0.00 0.82 0.00 0.00 66.70 67.47 2eeh h VAL 77 Cb 0.95 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2eeh h VAL 77 CO -0.74 0.23 0.57 0.11 0.02 0.00 0.00 177.57 177.76 2eeh h LYS 78 N 0.27 0.00 0.04 1.57 1.57 0.68 1.51 116.57 122.21 2eeh h LYS 78 Ca 0.09 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.49 2eeh h LYS 78 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 2eeh h LYS 78 CO 0.00 0.00 -2.23 0.28 -0.57 0.00 0.00 179.45 176.93 2eeh n VAL 79 N -3.73 1.59 0.34 0.50 0.31 -0.04 -3.76 118.33 113.54 2eeh n VAL 79 Ca 0.11 -0.51 0.05 0.00 -0.01 0.00 0.00 64.34 63.98 2eeh n VAL 79 Cb 0.78 -1.65 0.24 0.00 -0.91 0.00 0.00 33.84 32.30 2eeh n VAL 79 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2eeh n LEU 80 N -3.61 0.06 -0.84 7.52 4.77 0.38 -0.56 117.00 124.73 2eeh n LEU 80 Ca -0.42 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.16 2eeh n LEU 80 Cb 0.96 -0.51 0.16 0.00 -2.33 0.00 0.00 43.42 41.69 2eeh n LEU 80 CO 0.26 -0.36 0.61 1.07 -1.33 0.00 0.00 177.39 177.65 2eeh n THR 81 N -1.57 0.52 -1.44 -5.08 5.66 0.49 -4.79 114.28 108.07 2eeh n THR 81 Ca 0.02 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.26 2eeh n THR 81 Cb 0.12 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 2eeh n THR 81 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2eeh n SER 82 N 1.02 0.00 -1.10 1.09 2.88 0.28 -5.03 113.62 112.76 2eeh n SER 82 Ca 0.14 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.81 2eeh n SER 82 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 2eeh n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eeh n SER 83 N 0.00 -5.75 -0.07 -3.46 7.64 -1.26 -4.72 113.62 106.01 2eeh n SER 83 Ca 0.00 0.62 0.02 0.00 1.01 0.00 0.00 58.87 60.52 2eeh n SER 83 Cb 0.00 -3.51 -0.00 0.00 -1.01 0.00 0.00 64.21 59.69 2eeh n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eeh n SER 84 N -4.26 0.68 -3.25 6.43 7.64 -1.26 -4.67 113.62 114.94 2eeh n SER 84 Ca -0.02 -0.84 -0.04 0.00 1.01 0.00 0.00 58.87 58.98 2eeh n SER 84 Cb 0.62 0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 64.32 2eeh n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh s ARG 85 N -0.83 0.58 -0.50 1.43 1.70 -1.26 -4.73 118.95 115.34 2eeh s ARG 85 Ca 0.03 0.03 -0.27 0.00 -0.47 0.00 0.00 55.73 55.05 2eeh s ARG 85 Cb 0.03 -0.11 0.03 0.00 -0.57 0.00 0.00 34.95 34.33 2eeh s ARG 85 CO 0.09 -1.10 1.03 -0.51 -1.08 0.00 0.00 175.30 173.74 2eeh s LEU 86 N 2.33 3.82 -0.93 -1.89 1.02 -0.90 -4.73 118.68 117.40 2eeh s LEU 86 Ca 0.12 0.16 -0.13 0.00 0.02 0.00 0.00 54.13 54.30 2eeh s LEU 86 Cb -0.10 -3.25 0.22 0.00 0.02 0.00 0.00 46.19 43.08 2eeh s LEU 86 CO -0.20 -1.20 0.93 -1.00 0.02 0.00 0.00 176.35 174.90 2eeh s HIS 87 N 4.17 3.81 -0.02 0.29 3.76 -1.26 -2.15 115.29 123.89 2eeh s HIS 87 Ca 0.40 -2.12 -0.20 0.00 -0.15 0.00 0.00 55.06 53.00 2eeh s HIS 87 Cb -0.09 -3.90 -0.05 0.00 1.11 0.00 0.00 32.58 29.64 2eeh s HIS 87 CO 0.27 -1.06 0.57 -1.64 -0.85 0.00 0.00 174.74 172.04 2eeh s MET 88 N 0.15 4.30 -0.21 1.40 -1.94 -1.14 -0.69 119.30 121.18 2eeh s MET 88 Ca 0.24 0.68 0.01 0.00 -1.71 0.00 0.00 55.69 54.91 2eeh s MET 88 Cb -0.09 -3.36 0.03 0.00 2.01 0.00 0.00 34.83 33.42 2eeh s MET 88 CO -0.08 0.34 -0.15 -1.64 -0.01 0.00 0.00 175.02 173.48 2eeh s MET 89 N -0.06 2.86 0.16 2.03 -1.94 0.20 -3.40 119.30 119.15 2eeh s MET 89 Ca 0.30 -0.93 0.04 0.00 -1.71 0.00 0.00 55.69 53.39 2eeh s MET 89 Cb -0.18 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 2eeh s MET 89 CO 0.16 -0.31 0.23 0.14 -0.01 0.00 0.00 175.02 175.23 2eeh s VAL 90 N 1.28 4.96 -0.25 -6.03 -7.23 -1.22 -1.09 120.40 110.82 2eeh s VAL 90 Ca 0.02 -0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 2eeh s VAL 90 Cb -0.15 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2eeh s VAL 90 CO -0.09 -0.12 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.43 2eeh s ARG 91 N -3.26 3.20 0.00 4.82 0.52 -1.23 -2.51 118.95 120.50 2eeh s ARG 91 Ca 0.33 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 2eeh s ARG 91 Cb -0.10 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 2eeh s ARG 91 CO 0.26 -0.30 -0.22 0.50 0.02 0.00 0.00 175.30 175.56 2eeh s ARG 92 N 1.45 1.73 1.00 3.54 3.52 -1.16 -4.79 118.95 124.24 2eeh s ARG 92 Ca 0.04 -0.86 -0.13 0.00 -0.13 0.00 0.00 55.73 54.64 2eeh s ARG 92 Cb -0.16 -1.73 0.19 0.00 -1.56 0.00 0.00 34.95 31.69 2eeh s ARG 92 CO -0.02 0.47 1.11 -1.64 -0.81 0.00 0.00 175.30 174.41 2eeh s MET 93 N -0.73 0.40 0.00 5.12 -1.94 -1.26 -2.28 119.30 118.61 2eeh s MET 93 Ca 0.09 0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 2eeh s MET 93 Cb -0.09 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 35.00 2eeh s MET 93 CO -0.00 -2.71 0.27 0.41 -0.01 0.00 0.00 175.02 172.98 2eeh n GLY 94 N -1.49 -1.98 3.54 -0.03 0.00 -1.25 -4.70 105.19 99.29 2eeh n GLY 94 Ca 0.07 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 2eeh n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 95 N -2.67 -0.30 -0.38 1.61 1.04 -1.26 -4.91 113.70 106.84 2eeh s SER 95 Ca 0.00 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.52 2eeh s SER 95 Cb 0.00 0.30 0.11 0.00 0.10 0.00 0.00 66.02 66.53 2eeh s SER 95 CO 0.00 -0.47 0.10 -0.83 0.98 0.00 0.00 173.24 173.02 2eeh s GLY 96 N -2.20 2.06 -0.55 7.32 0.00 -1.26 -5.06 107.32 107.62 2eeh s GLY 96 Ca 0.05 -2.71 -0.28 0.00 0.00 0.00 0.00 44.72 41.79 2eeh s GLY 96 CO -0.06 0.96 1.49 2.56 0.00 0.00 0.00 173.10 178.04 2eeh s PRO 97 N 0.63 3.23 0.11 2.90 0.04 -1.26 -4.43 135.00 136.22 2eeh s PRO 97 Ca 0.12 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2eeh s PRO 97 Cb -0.21 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2eeh s PRO 97 CO -0.06 -2.02 0.00 0.43 0.04 0.00 0.00 177.00 175.39 2eeh n SER 98 N 9.97 -0.80 -2.30 6.66 7.64 -1.26 -5.14 113.62 128.38 2eeh n SER 98 Ca 0.14 0.21 -0.01 0.00 1.01 0.00 0.00 58.87 60.21 2eeh n SER 98 Cb 0.49 1.02 -0.01 0.00 -1.01 0.00 0.00 64.21 64.71 2eeh n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eeh n SER 99 N -2.75 -7.28 0.00 6.43 7.64 -1.26 -5.38 113.62 111.03 2eeh n SER 99 Ca 0.00 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.51 2eeh n SER 99 Cb 0.00 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.28 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64