#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh s SER 2 N 0.00 -0.67 0.00 1.61 0.15 -1.26 -4.97 113.70 108.56 2eeh s SER 2 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2eeh s SER 2 Cb 0.00 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 2eeh s SER 2 CO 0.00 -0.30 0.00 -0.24 1.20 0.00 0.00 173.24 173.90 2eeh n SER 3 N 2.22 0.00 -4.45 5.45 2.88 -1.26 -4.86 113.62 113.60 2eeh n SER 3 Ca -0.14 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 56.92 2eeh n SER 3 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 2eeh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eeh n GLY 4 N 0.00 0.13 3.13 0.46 0.00 -1.26 -4.88 105.19 102.76 2eeh n GLY 4 Ca 0.00 0.96 -0.08 0.00 0.00 0.00 0.00 46.02 46.90 2eeh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 5 N 8.40 0.38 0.22 1.61 0.15 -1.26 -5.10 113.70 118.11 2eeh s SER 5 Ca 1.15 -0.92 0.09 0.00 0.70 0.00 0.00 55.95 56.97 2eeh s SER 5 Cb -0.91 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 2eeh s SER 5 CO 0.47 -0.64 -0.03 -0.44 1.20 0.00 0.00 173.24 173.80 2eeh s SER 6 N -2.91 4.53 0.00 5.45 0.01 -1.26 -5.05 113.70 114.47 2eeh s SER 6 Ca 0.07 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2eeh s SER 6 Cb 0.07 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2eeh s SER 6 CO -0.10 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2eeh n GLY 7 N -0.46 -1.63 1.34 3.44 0.00 -1.26 -5.07 105.19 101.55 2eeh n GLY 7 Ca -0.08 -1.55 0.17 0.00 0.00 0.00 0.00 46.02 44.56 2eeh n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 8 N -1.84 -7.98 -4.14 1.61 7.64 -1.26 -4.79 113.62 102.85 2eeh n SER 8 Ca 0.00 0.99 -0.37 0.00 1.01 0.00 0.00 58.87 60.50 2eeh n SER 8 Cb 0.00 -4.35 0.03 0.00 -1.01 0.00 0.00 64.21 58.88 2eeh n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2eeh n ASP 9 N -4.18 -4.67 -4.29 6.43 9.92 -1.26 -4.81 116.55 113.69 2eeh n ASP 9 Ca -0.04 0.42 -0.19 0.00 -0.53 0.00 0.00 54.79 54.45 2eeh n ASP 9 Cb 0.62 -0.83 -0.11 0.00 -0.64 0.00 0.00 41.12 40.17 2eeh n ASP 9 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2eeh s ILE 10 N -2.00 1.54 0.24 0.53 1.01 -0.05 -4.96 121.20 117.51 2eeh s ILE 10 Ca 0.49 -1.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.15 2eeh s ILE 10 Cb -0.33 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 2eeh s ILE 10 CO 0.74 -0.47 0.51 -0.63 0.00 0.00 0.00 174.94 175.09 2eeh s ILE 11 N -2.44 5.03 -0.06 2.92 -1.09 -1.26 -1.79 121.20 122.51 2eeh s ILE 11 Ca 0.15 0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.77 2eeh s ILE 11 Cb -0.03 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 2eeh s ILE 11 CO 0.05 -0.19 -0.22 -1.00 -1.23 0.00 0.00 174.94 172.35 2eeh s HIS 12 N -1.93 2.51 -0.21 3.97 3.76 -0.89 -4.97 115.29 117.53 2eeh s HIS 12 Ca 0.44 -0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 54.67 2eeh s HIS 12 Cb -0.11 -1.61 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 2eeh s HIS 12 CO 0.27 -0.12 0.15 -1.12 -0.85 0.00 0.00 174.74 173.06 2eeh s SER 13 N -0.28 6.21 0.00 1.40 0.01 -1.26 -3.61 113.70 116.18 2eeh s SER 13 Ca 0.00 0.23 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 2eeh s SER 13 Cb -0.13 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.01 2eeh s SER 13 CO 0.03 0.15 0.18 0.54 0.41 0.00 0.00 173.24 174.55 2eeh s VAL 14 N 0.51 0.08 -0.24 3.43 0.11 -1.22 -4.93 120.40 118.14 2eeh s VAL 14 Ca 0.08 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 2eeh s VAL 14 Cb -0.12 -0.53 0.08 0.00 -1.53 0.00 0.00 36.38 34.28 2eeh s VAL 14 CO -0.00 -0.37 0.06 -0.13 -3.33 0.00 0.00 175.10 171.33 2eeh s ARG 15 N -1.52 0.67 -0.24 1.54 0.52 -1.25 -3.15 118.95 115.52 2eeh s ARG 15 Ca -0.13 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 2eeh s ARG 15 Cb -0.06 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 2eeh s ARG 15 CO 0.02 -0.79 0.21 0.08 0.02 0.00 0.00 175.30 174.83 2eeh s VAL 16 N 1.78 5.33 0.33 3.52 1.01 -1.08 -4.53 120.40 126.76 2eeh s VAL 16 Ca 0.03 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 2eeh s VAL 16 Cb -0.17 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2eeh s VAL 16 CO -0.16 0.32 0.70 -1.61 0.00 0.00 0.00 175.10 174.34 2eeh s GLU 17 N 1.16 3.87 0.03 2.72 0.41 -1.26 -2.85 118.70 122.78 2eeh s GLU 17 Ca 0.10 0.49 -0.28 0.00 -0.41 0.00 0.00 54.97 54.86 2eeh s GLU 17 Cb -0.14 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 2eeh s GLU 17 CO 0.06 0.13 0.91 -1.59 -0.49 0.00 0.00 175.26 174.28 2eeh s LYS 18 N -3.24 4.58 -0.04 1.61 -2.85 -1.26 -4.89 119.74 113.64 2eeh s LYS 18 Ca 0.51 1.31 0.07 0.00 -1.00 0.00 0.00 55.97 56.86 2eeh s LYS 18 Cb -0.10 -3.42 -0.01 0.00 -2.06 0.00 0.00 37.83 32.23 2eeh s LYS 18 CO 0.23 0.09 -0.25 -1.12 0.10 0.00 0.00 175.35 174.40 2eeh s SER 19 N 0.54 2.97 -1.18 0.03 0.01 -1.26 -5.05 113.70 109.76 2eeh s SER 19 Ca 0.47 -0.48 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 2eeh s SER 19 Cb -0.21 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.37 2eeh s SER 19 CO 0.27 0.26 1.80 -2.16 0.41 0.00 0.00 173.24 173.82 2eeh s PRO 20 N -0.30 3.22 0.31 12.44 0.04 -1.26 -4.09 135.00 145.36 2eeh s PRO 20 Ca 0.01 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 59.65 2eeh s PRO 20 Cb -0.12 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.06 2eeh s PRO 20 CO 0.02 -3.03 0.00 0.00 0.04 0.00 0.00 177.00 174.03 2eeh n ALA 21 N 11.33 2.41 0.00 8.56 0.00 -1.26 -5.16 120.51 136.38 2eeh n ALA 21 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2eeh n ALA 21 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.91 4.25 1.55 0.00 0.00 -1.26 -5.16 105.19 105.48 2eeh n GLY 22 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.48 -4.24 -0.98 1.61 1.74 -1.26 -4.85 116.66 108.21 2eeh n ARG 23 Ca 0.00 3.23 -0.34 0.00 -0.77 0.00 0.00 57.85 59.97 2eeh n ARG 23 Cb 0.00 -3.84 0.10 0.00 -1.02 0.00 0.00 32.46 27.69 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 -1.80 -0.27 0.00 0.55 7.99 -1.26 -4.79 117.00 117.42 2eeh n LEU 24 Ca 0.00 0.41 0.05 0.00 -0.01 0.00 0.00 56.01 56.46 2eeh n LEU 24 Cb 0.25 -1.18 0.24 0.00 -0.11 0.00 0.00 43.42 42.62 2eeh n LEU 24 CO 0.00 -3.62 0.64 0.61 -1.51 0.00 0.00 177.39 173.50 2eeh n GLY 25 N 1.69 -0.74 3.26 -0.72 0.00 -1.26 -4.66 105.19 102.76 2eeh n GLY 25 Ca 0.07 -0.04 -0.18 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 -2.79 1.48 -0.21 1.61 -0.71 -1.26 -0.68 117.98 115.41 2eeh s PHE 26 Ca 0.07 -0.55 -0.08 0.00 -1.04 0.00 0.00 56.93 55.33 2eeh s PHE 26 Cb 0.07 -0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 2eeh s PHE 26 CO 0.17 0.18 0.08 -1.12 -1.34 0.00 0.00 175.22 173.20 2eeh s SER 27 N -2.57 5.58 0.09 1.98 0.01 0.40 -4.95 113.70 114.23 2eeh s SER 27 Ca 0.11 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.42 2eeh s SER 27 Cb -0.04 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 2eeh s SER 27 CO 0.04 0.09 0.00 0.68 0.41 0.00 0.00 173.24 174.46 2eeh s VAL 28 N 0.86 4.03 0.23 3.43 -7.23 -1.26 0.35 120.40 120.81 2eeh s VAL 28 Ca 0.04 -0.97 0.11 0.00 -1.81 0.00 0.00 61.98 59.35 2eeh s VAL 28 Cb -0.14 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2eeh s VAL 28 CO 0.03 0.13 -0.15 0.00 -0.31 0.00 0.00 175.10 174.80 2eeh s ARG 29 N -2.27 1.84 0.00 4.82 1.70 0.93 -4.85 118.95 121.12 2eeh s ARG 29 Ca 0.26 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 2eeh s ARG 29 Cb -0.12 -1.96 0.00 0.00 -0.57 0.00 0.00 34.95 32.30 2eeh s ARG 29 CO 0.18 0.38 0.00 0.41 -1.08 0.00 0.00 175.30 175.19 2eeh n GLY 30 N -0.24 -0.68 0.00 3.88 0.00 -1.26 -3.39 105.19 103.50 2eeh n GLY 30 Ca -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 2.31 0.00 -0.02 0.00 -1.26 -4.81 105.19 101.41 2eeh n GLY 31 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 32 N 0.61 0.00 -4.48 1.61 2.88 -1.26 -4.48 113.62 108.50 2eeh n SER 32 Ca 0.00 0.03 -0.55 0.00 -1.33 0.00 0.00 58.87 57.02 2eeh n SER 32 Cb 0.00 -0.24 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2eeh n SER 32 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2eeh n GLU 33 N -1.87 0.85 -2.38 -1.46 0.28 -1.26 -3.69 120.64 111.11 2eeh n GLU 33 Ca 0.00 0.26 -0.01 0.00 -0.16 0.00 0.00 57.16 57.25 2eeh n GLU 33 Cb 0.00 -2.14 -0.01 0.00 1.43 0.00 0.00 31.44 30.72 2eeh n GLU 33 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2eeh n HIS 34 N 8.05 -4.71 0.00 -1.84 8.25 -1.26 -4.88 115.22 118.83 2eeh n HIS 34 Ca 0.40 2.79 0.00 0.00 -0.26 0.00 0.00 57.72 60.65 2eeh n HIS 34 Cb 0.14 -3.84 0.00 0.00 1.12 0.00 0.00 29.99 27.41 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2eeh n GLY 35 N 1.78 -0.16 4.46 -1.41 0.00 -1.24 -4.57 105.19 104.06 2eeh n GLY 35 Ca -0.09 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.01 2eeh n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eeh n LEU 36 N -0.04 0.00 0.00 0.99 4.77 -1.26 -4.51 117.00 116.95 2eeh n LEU 36 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2eeh n LEU 36 Cb 0.00 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 2eeh n LEU 36 CO 0.00 -1.13 0.00 0.61 -1.33 0.00 0.00 177.39 175.54 2eeh n GLY 37 N -1.05 1.49 3.71 -0.72 0.00 -1.26 -4.60 105.19 102.75 2eeh n GLY 37 Ca 0.00 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 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 1.61 5.27 0.00 -0.61 -1.09 -1.15 -4.71 121.20 120.52 2eeh s ILE 38 Ca 0.00 0.61 0.08 0.00 -2.23 0.00 0.00 60.65 59.12 2eeh s ILE 38 Cb 0.00 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2eeh s ILE 38 CO 0.00 0.34 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.43 2eeh s PHE 39 N 0.78 2.33 0.35 3.97 0.40 -1.22 -0.19 117.98 124.40 2eeh s PHE 39 Ca 0.18 -0.43 -0.23 0.00 -0.60 0.00 0.00 56.93 55.85 2eeh s PHE 39 Cb -0.14 -1.46 -0.10 0.00 0.51 0.00 0.00 43.02 41.83 2eeh s PHE 39 CO 0.06 0.03 0.92 0.08 0.70 0.00 0.00 175.22 177.00 2eeh s VAL 40 N -0.69 4.32 0.00 -0.44 1.01 0.32 -0.05 120.40 124.88 2eeh s VAL 40 Ca 0.11 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2eeh s VAL 40 Cb -0.10 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2eeh s VAL 40 CO 0.00 -0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.54 2eeh n SER 41 N 0.13 0.68 -4.07 3.32 3.41 0.16 -3.60 113.62 113.64 2eeh n SER 41 Ca 0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.56 2eeh n SER 41 Cb 0.52 0.00 -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 -1.95 0.55 -0.20 4.33 2.47 -0.94 -4.57 119.74 119.43 2eeh s LYS 42 Ca 0.00 -1.05 -0.04 0.00 -1.56 0.00 0.00 55.97 53.32 2eeh s LYS 42 Cb 0.00 0.12 0.07 0.00 -1.46 0.00 0.00 37.83 36.56 2eeh s LYS 42 CO 0.00 -0.08 0.08 0.08 0.16 0.00 0.00 175.35 175.59 2eeh s VAL 43 N -3.12 0.14 0.33 4.02 1.01 -1.26 0.15 120.40 121.67 2eeh s VAL 43 Ca 0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2eeh s VAL 43 Cb 0.02 -0.82 -0.15 0.00 0.00 0.00 0.00 36.38 35.43 2eeh s VAL 43 CO -0.07 -0.36 0.16 1.21 0.00 0.00 0.00 175.10 176.05 2eeh n GLU 44 N 5.19 0.00 -2.66 2.72 2.13 0.14 -4.87 120.64 123.29 2eeh n GLU 44 Ca -0.07 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.40 2eeh n GLU 44 Cb 0.47 -0.92 -0.05 0.00 0.27 0.00 0.00 31.44 31.21 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2eeh s GLU 45 N -0.92 4.15 -0.91 5.31 2.02 -1.26 -3.31 118.70 123.78 2eeh s GLU 45 Ca 0.55 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.88 2eeh s GLU 45 Cb -0.64 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.23 2eeh s GLU 45 CO 0.56 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.13 2eeh n GLY 46 N -0.05 -0.21 3.99 -1.39 0.00 -1.26 -4.92 105.19 101.35 2eeh n GLY 46 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 47 N -1.99 3.93 0.19 1.61 1.04 -1.21 -5.00 113.70 112.27 2eeh s SER 47 Ca 0.00 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.14 2eeh s SER 47 Cb 0.00 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.33 2eeh s SER 47 CO 0.00 -2.16 1.44 0.28 0.98 0.00 0.00 173.24 173.77 2eeh h SER 48 N -0.83 0.08 0.42 7.02 0.02 -1.90 -3.14 113.55 115.22 2eeh h SER 48 Ca -0.36 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2eeh h SER 48 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2eeh h SER 48 CO 0.36 0.86 -0.20 0.00 -1.14 0.00 0.00 176.83 176.71 2eeh h ALA 49 N 1.14 -1.05 -1.15 3.77 0.00 -1.90 1.48 119.26 121.55 2eeh h ALA 49 Ca -0.02 -0.12 0.33 0.00 0.00 0.00 0.00 54.91 55.10 2eeh h ALA 49 Cb 1.43 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2eeh h ALA 49 CO 0.11 -1.01 0.98 1.49 0.00 0.00 0.00 179.25 180.83 2eeh h GLU 50 N -0.61 0.00 0.11 0.00 4.81 -1.66 1.37 114.58 118.60 2eeh h GLU 50 Ca -0.06 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.85 2eeh h GLU 50 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2eeh h GLU 50 CO 0.09 0.00 -1.72 0.00 -0.73 0.00 0.00 179.01 176.66 2eeh h ARG 51 N 0.00 0.23 0.00 1.92 3.08 -1.39 -3.30 114.38 114.92 2eeh h ARG 51 Ca 0.55 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2eeh h ARG 51 Cb 2.51 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 32.70 2eeh h ARG 51 CO -0.01 1.06 -0.05 0.00 -1.07 0.00 0.00 179.97 179.90 2eeh h ALA 52 N 0.42 1.19 0.00 0.04 0.00 1.22 -3.45 119.26 118.68 2eeh h ALA 52 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 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 0.13 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2eeh n GLY 53 N -0.75 1.05 3.72 0.00 0.00 0.28 -3.95 105.19 105.55 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.41 0.00 0.99 2.96 -0.67 -4.96 118.68 121.40 2eeh s LEU 54 Ca 0.00 2.11 0.03 0.00 -0.22 0.00 0.00 54.13 56.04 2eeh s LEU 54 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2eeh s LEU 54 CO 0.00 -0.42 0.10 0.00 -1.32 0.00 0.00 176.35 174.71 2eeh s VAL 56 N -2.91 4.65 0.00 0.00 1.01 -1.26 -3.73 120.40 118.15 2eeh s VAL 56 Ca 0.15 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2eeh s VAL 56 Cb 0.01 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2eeh s VAL 56 CO 0.10 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2eeh n GLY 57 N 1.70 0.47 3.79 4.51 0.00 -1.24 -5.03 105.19 109.39 2eeh n GLY 57 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.63 4.98 -0.29 1.61 1.11 -1.24 -4.84 116.67 115.36 2eeh s ASP 58 Ca 0.00 1.76 0.00 0.00 0.18 0.00 0.00 52.55 54.49 2eeh s ASP 58 Cb 0.00 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.56 2eeh s ASP 58 CO 0.00 -1.72 0.05 -0.75 1.18 0.00 0.00 175.17 173.93 2eeh s LYS 59 N -4.83 1.07 -0.13 8.23 2.20 -1.26 -0.52 119.74 124.50 2eeh s LYS 59 Ca 0.61 -1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 2eeh s LYS 59 Cb -0.16 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2eeh s LYS 59 CO 0.53 -0.86 1.37 0.42 -0.36 0.00 0.00 175.35 176.46 2eeh s ILE 60 N 1.44 4.08 -0.20 5.43 1.01 0.73 -3.26 121.20 130.43 2eeh s ILE 60 Ca 0.05 1.31 0.18 0.00 0.00 0.00 0.00 60.65 62.19 2eeh s ILE 60 Cb -0.18 -3.84 -0.26 0.00 0.01 0.00 0.00 42.46 38.19 2eeh s ILE 60 CO -0.16 -0.11 0.47 0.35 0.00 0.00 0.00 174.94 175.49 2eeh n THR 61 N 5.38 0.00 -3.44 2.92 -2.24 0.12 -2.94 114.28 114.07 2eeh n THR 61 Ca 0.15 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2eeh n THR 61 Cb 0.44 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 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 -3.11 1.21 -0.24 -0.78 2.12 -1.12 -1.64 118.70 115.13 2eeh s GLU 62 Ca -0.04 -0.37 -0.19 0.00 0.36 0.00 0.00 54.97 54.73 2eeh s GLU 62 Cb 0.12 0.56 0.07 0.00 0.26 0.00 0.00 34.13 35.13 2eeh s GLU 62 CO 0.74 -0.51 0.63 0.54 -0.54 0.00 0.00 175.26 176.12 2eeh s VAL 63 N -3.38 -0.00 -1.42 3.70 0.11 0.05 -0.24 120.40 119.22 2eeh s VAL 63 Ca -0.00 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2eeh s VAL 63 Cb -0.01 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2eeh s VAL 63 CO -0.10 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.47 2eeh n ASN 64 N 3.32 -3.75 0.00 3.54 2.85 0.38 -0.49 115.26 121.11 2eeh n ASN 64 Ca -0.16 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2eeh n ASN 64 Cb 0.56 -3.42 0.00 0.00 1.24 0.00 0.00 39.78 38.16 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 -0.36 2.82 3.67 8.20 0.00 -1.26 -4.93 105.19 113.34 2eeh n GLY 65 Ca -0.14 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 2eeh n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eeh n LEU 66 N 0.00 4.04 -4.73 0.99 7.99 0.36 -4.93 117.00 120.71 2eeh n LEU 66 Ca 0.00 0.95 -0.41 0.00 -0.01 0.00 0.00 56.01 56.54 2eeh n LEU 66 Cb 0.00 -1.52 -0.05 0.00 -0.11 0.00 0.00 43.42 41.74 2eeh n LEU 66 CO 0.00 0.16 0.63 -0.94 -1.51 0.00 0.00 177.39 175.73 2eeh s SER 67 N 3.64 7.46 -0.48 -1.43 1.04 -1.26 -0.77 113.70 121.89 2eeh s SER 67 Ca 0.86 1.74 0.03 0.00 0.48 0.00 0.00 55.95 59.06 2eeh s SER 67 Cb -0.48 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 63.55 2eeh s SER 67 CO 0.41 -0.03 1.69 0.18 0.98 0.00 0.00 173.24 176.47 2eeh n LEU 68 N 2.68 6.29 -0.48 2.42 4.77 -0.65 -4.47 117.00 127.55 2eeh n LEU 68 Ca 0.01 -4.29 0.14 0.00 -0.03 0.00 0.00 56.01 51.83 2eeh n LEU 68 Cb 0.49 -0.73 0.46 0.00 -2.33 0.00 0.00 43.42 41.31 2eeh n LEU 68 CO 0.50 1.59 0.80 -0.62 -1.33 0.00 0.00 177.39 178.34 2eeh n GLU 69 N -0.91 1.58 -1.76 3.23 1.02 -1.25 -3.67 120.64 118.88 2eeh n GLU 69 Ca 0.53 -0.97 -0.04 0.00 -0.02 0.00 0.00 57.16 56.66 2eeh n GLU 69 Cb 0.90 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.87 2eeh n GLU 69 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2eeh n SER 70 N 0.14 -1.13 -4.29 1.62 2.88 -1.26 -4.69 113.62 106.89 2eeh n SER 70 Ca 0.17 -1.97 -0.20 0.00 -1.33 0.00 0.00 58.87 55.54 2eeh n SER 70 Cb 0.38 0.45 -0.11 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.06 1.57 0.00 2.46 2.01 -1.26 -5.14 115.64 115.34 2eeh s THR 71 Ca 0.04 -1.83 0.00 0.00 0.31 0.00 0.00 61.69 60.21 2eeh s THR 71 Cb 0.20 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 71.01 2eeh s THR 71 CO -0.06 -0.38 0.00 0.35 -0.69 0.00 0.00 174.62 173.84 2eeh n THR 72 N 0.39 0.00 -0.11 -0.82 -2.24 -1.26 -4.86 114.28 105.37 2eeh n THR 72 Ca -0.14 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 2eeh n THR 72 Cb 0.57 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.91 2eeh n THR 72 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2eeh n MET 73 N -0.74 0.56 -0.07 -0.78 1.56 -1.26 -4.19 117.12 112.20 2eeh n MET 73 Ca 0.00 0.42 -0.07 0.00 -0.27 0.00 0.00 57.70 57.77 2eeh n MET 73 Cb 0.00 -1.61 -0.05 0.00 2.15 0.00 0.00 33.22 33.70 2eeh n MET 73 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2eeh h GLY 74 N -1.00 -1.45 -0.77 -5.12 0.00 -1.96 -0.85 103.07 91.91 2eeh h GLY 74 Ca -0.44 0.77 0.07 0.00 0.00 0.00 0.00 47.33 47.73 2eeh h GLY 74 CO -0.26 -0.41 -0.46 1.44 0.00 0.00 0.00 176.54 176.85 2eeh n SER 75 N -4.11 -0.82 -0.29 0.19 7.64 -1.26 0.18 113.62 115.14 2eeh n SER 75 Ca -0.02 1.53 0.08 0.00 1.01 0.00 0.00 58.87 61.46 2eeh n SER 75 Cb 0.18 -0.25 0.19 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.24 0.87 0.64 -0.43 0.00 -1.55 0.70 119.26 119.73 2eeh h ALA 76 Ca 0.12 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2eeh h ALA 76 Cb 0.32 0.51 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2eeh h ALA 76 CO -0.73 -0.46 -0.31 0.28 0.00 0.00 0.00 179.25 178.04 2eeh h VAL 77 N 0.07 0.00 -1.38 0.00 2.07 0.25 0.60 116.25 117.86 2eeh h VAL 77 Ca 0.47 -0.29 0.45 0.00 0.82 0.00 0.00 66.70 68.15 2eeh h VAL 77 Cb 0.86 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 2eeh h VAL 77 CO -0.78 0.00 0.90 0.50 0.02 0.00 0.00 177.57 178.22 2eeh h LYS 78 N -1.15 0.07 0.11 1.57 3.64 0.33 1.71 116.57 122.85 2eeh h LYS 78 Ca -0.09 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 2eeh h LYS 78 Cb 0.66 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2eeh h LYS 78 CO 0.15 0.05 -0.70 0.28 -2.27 0.00 0.00 179.45 176.95 2eeh h VAL 79 N 0.07 1.54 -0.12 2.00 2.07 0.58 -2.98 116.25 119.43 2eeh h VAL 79 Ca 0.83 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2eeh h VAL 79 Cb 2.69 3.18 -0.01 0.00 -1.52 0.00 0.00 31.29 35.63 2eeh h VAL 79 CO -0.38 0.70 0.08 -0.07 0.02 0.00 0.00 177.57 177.92 2eeh h LEU 80 N -0.43 0.13 -0.85 2.57 3.38 0.74 0.40 115.31 121.25 2eeh h LEU 80 Ca -0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2eeh h LEU 80 Cb 1.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2eeh h LEU 80 CO 0.13 0.09 0.00 0.35 0.09 0.00 0.00 178.44 179.10 2eeh n THR 81 N -4.52 0.19 -3.61 0.22 -2.24 0.48 -4.48 114.28 100.31 2eeh n THR 81 Ca -0.01 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 2eeh n THR 81 Cb 0.09 0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 2eeh n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2eeh s SER 82 N -1.47 3.41 0.00 3.42 0.15 0.14 -5.03 113.70 114.32 2eeh s SER 82 Ca 0.29 -2.35 0.00 0.00 0.70 0.00 0.00 55.95 54.59 2eeh s SER 82 Cb 0.15 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2eeh s SER 82 CO 0.23 -0.30 0.00 -1.20 1.20 0.00 0.00 173.24 173.17 2eeh n SER 83 N 3.88 0.00 -2.11 5.45 7.64 -1.26 -4.81 113.62 122.41 2eeh n SER 83 Ca 0.09 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.73 2eeh n SER 83 Cb 0.36 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 4.79 0.00 6.43 7.64 -1.26 -4.63 113.62 126.58 2eeh n SER 84 Ca 0.00 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.43 2eeh n SER 84 Cb 0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2eeh n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2eeh n ARG 85 N -0.82 0.00 -3.41 1.43 1.74 -1.26 -4.93 116.66 109.40 2eeh n ARG 85 Ca 0.53 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.23 2eeh n ARG 85 Cb 1.25 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.63 2eeh n ARG 85 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2eeh s LEU 86 N 0.00 4.29 -0.53 0.55 1.02 -1.13 -4.83 118.68 118.04 2eeh s LEU 86 Ca 0.00 0.73 0.03 0.00 0.02 0.00 0.00 54.13 54.91 2eeh s LEU 86 Cb 0.00 -2.57 0.13 0.00 0.02 0.00 0.00 46.19 43.77 2eeh s LEU 86 CO 0.00 0.07 0.28 -2.28 0.02 0.00 0.00 176.35 174.45 2eeh s HIS 87 N 0.37 3.21 0.20 0.29 5.65 -1.26 -2.62 115.29 121.13 2eeh s HIS 87 Ca 0.22 -3.15 -0.12 0.00 0.25 0.00 0.00 55.06 52.26 2eeh s HIS 87 Cb -0.15 -2.85 -0.07 0.00 -1.18 0.00 0.00 32.58 28.33 2eeh s HIS 87 CO 0.08 -0.74 0.57 -1.64 -0.65 0.00 0.00 174.74 172.36 2eeh s MET 88 N -0.31 3.91 -0.15 2.88 -1.94 -1.19 -0.47 119.30 122.03 2eeh s MET 88 Ca 0.17 0.42 -0.01 0.00 -1.71 0.00 0.00 55.69 54.56 2eeh s MET 88 Cb -0.25 -2.76 0.04 0.00 2.01 0.00 0.00 34.83 33.87 2eeh s MET 88 CO -0.01 0.38 -0.02 -1.64 -0.01 0.00 0.00 175.02 173.71 2eeh s MET 89 N -2.43 1.12 0.21 2.03 -1.94 0.67 -3.45 119.30 115.50 2eeh s MET 89 Ca 0.44 -0.37 0.05 0.00 -1.71 0.00 0.00 55.69 54.10 2eeh s MET 89 Cb -0.13 -1.81 -0.03 0.00 2.01 0.00 0.00 34.83 34.87 2eeh s MET 89 CO 0.20 -0.44 0.26 0.14 -0.01 0.00 0.00 175.02 175.16 2eeh s VAL 90 N 1.75 4.89 -0.39 -6.03 -7.23 -1.24 -0.70 120.40 111.45 2eeh s VAL 90 Ca 0.01 -1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2eeh s VAL 90 Cb -0.15 -3.60 0.10 0.00 0.56 0.00 0.00 36.38 33.29 2eeh s VAL 90 CO -0.07 -0.25 0.16 -0.13 -0.31 0.00 0.00 175.10 174.50 2eeh s ARG 91 N -3.63 1.97 -0.11 4.82 0.52 -1.20 -2.09 118.95 119.22 2eeh s ARG 91 Ca 0.33 -1.77 -0.05 0.00 -0.52 0.00 0.00 55.73 53.72 2eeh s ARG 91 Cb -0.09 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2eeh s ARG 91 CO 0.27 -1.01 0.09 0.50 0.02 0.00 0.00 175.30 175.16 2eeh s ARG 92 N 1.12 3.29 0.73 3.54 3.52 -0.74 -4.84 118.95 125.56 2eeh s ARG 92 Ca 0.07 -0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.37 2eeh s ARG 92 Cb -0.22 -3.05 0.09 0.00 -1.56 0.00 0.00 34.95 30.21 2eeh s ARG 92 CO -0.04 0.74 1.03 0.00 -0.81 0.00 0.00 175.30 176.22 2eeh s MET 93 N -0.94 1.95 0.00 5.12 0.23 -1.26 -0.87 119.30 123.52 2eeh s MET 93 Ca 0.14 -0.44 0.00 0.00 -1.03 0.00 0.00 55.69 54.36 2eeh s MET 93 Cb -0.12 -2.17 0.00 0.00 -1.53 0.00 0.00 34.83 31.01 2eeh s MET 93 CO 0.03 -1.38 0.00 0.41 -2.03 0.00 0.00 175.02 172.05 2eeh n GLY 94 N -2.97 -1.43 3.29 3.16 0.00 -1.26 -4.86 105.19 101.11 2eeh n GLY 94 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2eeh n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 95 N -2.43 1.21 0.00 1.61 0.01 -1.26 -5.11 113.70 107.73 2eeh s SER 95 Ca 0.00 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2eeh s SER 95 Cb 0.00 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2eeh s SER 95 CO 0.00 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2eeh n GLY 96 N -0.39 -2.02 0.11 3.44 0.00 -1.26 -5.07 105.19 100.00 2eeh n GLY 96 Ca -0.02 0.96 -0.10 0.00 0.00 0.00 0.00 46.02 46.86 2eeh n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh h PRO 97 N 0.00 -0.14 0.00 1.61 0.13 -2.04 -3.46 132.00 128.10 2eeh h PRO 97 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2eeh h PRO 97 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2eeh h PRO 97 CO 0.00 0.34 0.00 0.45 -0.23 0.00 0.00 178.00 178.56 2eeh n SER 98 N -4.85 0.00 -3.15 1.44 2.88 -1.26 -4.74 113.62 103.94 2eeh n SER 98 Ca -0.07 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.31 2eeh n SER 98 Cb 0.27 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.75 2eeh n SER 98 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2eeh n SER 99 N 3.04 -6.74 -0.81 -3.46 3.41 -1.26 -5.37 113.62 102.44 2eeh n SER 99 Ca 0.00 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 2eeh n SER 99 Cb 0.00 -3.05 0.24 0.00 -0.26 0.00 0.00 64.21 61.14 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49