#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edr h SER 2 N 0.00 0.32 -1.60 1.61 0.02 -2.02 -3.21 113.55 108.67 2edr h SER 2 Ca 0.00 -0.17 -0.64 0.00 -0.84 0.00 0.00 61.79 60.14 2edr h SER 2 Cb 0.00 -0.08 -0.38 0.00 0.14 0.00 0.00 62.40 62.08 2edr h SER 2 CO 0.00 0.41 -0.20 -0.24 -1.14 0.00 0.00 176.83 175.66 2edr n SER 3 N -4.80 5.57 -3.08 3.07 2.88 -1.26 -4.96 113.62 111.04 2edr n SER 3 Ca -0.03 -3.76 -0.17 0.00 -1.33 0.00 0.00 58.87 53.58 2edr n SER 3 Cb 0.13 -0.63 0.02 0.00 -0.75 0.00 0.00 64.21 62.98 2edr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edr n GLY 4 N -0.52 -1.08 0.06 0.46 0.00 -1.21 -4.97 105.19 97.93 2edr n GLY 4 Ca 0.44 1.03 -0.04 0.00 0.00 0.00 0.00 46.02 47.45 2edr n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2edr h SER 5 N 2.30 0.00 -5.15 1.61 0.87 -1.93 -3.49 113.55 107.75 2edr h SER 5 Ca -0.19 -0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.13 2edr h SER 5 Cb 1.02 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.81 2edr h SER 5 CO 0.18 0.68 -0.69 -0.44 -0.53 0.00 0.00 176.83 176.04 2edr s SER 6 N -5.74 0.41 0.00 6.23 0.01 -1.26 -5.08 113.70 108.28 2edr s SER 6 Ca -0.08 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2edr s SER 6 Cb 0.01 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2edr s SER 6 CO 0.16 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2edr n GLY 7 N 0.61 -0.86 0.00 3.44 0.00 -1.26 -4.87 105.19 102.24 2edr n GLY 7 Ca -0.17 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2edr n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edr n PRO 8 N 0.00 -0.92 -3.64 1.61 -0.04 -1.26 -5.01 135.00 125.73 2edr n PRO 8 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2edr n PRO 8 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2edr n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edr s ALA 9 N -2.97 3.51 0.63 0.55 0.00 -1.26 -4.98 121.76 117.24 2edr s ALA 9 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 2edr s ALA 9 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2edr s ALA 9 CO 0.00 -0.41 1.04 -1.58 0.00 0.00 0.00 175.76 174.81 2edr s HIS 10 N 1.48 3.39 -0.61 0.00 2.46 -1.26 -4.65 115.29 116.10 2edr s HIS 10 Ca 0.07 1.37 -0.25 0.00 0.47 0.00 0.00 55.06 56.72 2edr s HIS 10 Cb -0.15 -2.80 0.05 0.00 -0.13 0.00 0.00 32.58 29.54 2edr s HIS 10 CO 0.08 -0.86 1.03 -0.06 -2.47 0.00 0.00 174.74 172.46 2edr s PHE 11 N -3.02 2.66 -0.03 3.88 0.08 -1.26 0.08 117.98 120.37 2edr s PHE 11 Ca 0.57 -0.11 0.10 0.00 0.12 0.00 0.00 56.93 57.61 2edr s PHE 11 Cb -0.12 -4.27 -0.23 0.00 -0.57 0.00 0.00 43.02 37.82 2edr s PHE 11 CO 0.50 -1.57 0.71 -0.84 -0.10 0.00 0.00 175.22 173.92 2edr h ILE 12 N 6.03 0.93 -2.25 0.64 3.07 -1.83 -3.40 117.51 120.70 2edr h ILE 12 Ca -0.27 -2.75 -0.61 0.00 1.55 0.00 0.00 64.86 62.78 2edr h ILE 12 Cb 1.07 2.48 -0.41 0.00 -0.27 0.00 0.00 36.82 39.69 2edr h ILE 12 CO 1.16 0.58 -0.54 0.61 -1.05 0.00 0.00 178.15 178.91 2edr n GLY 13 N 1.57 5.20 2.82 0.16 0.00 -1.10 -5.01 105.19 108.84 2edr n GLY 13 Ca -0.16 -2.78 -0.36 0.00 0.00 0.00 0.00 46.02 42.72 2edr n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2edr n ARG 14 N 0.37 0.00 -0.20 1.61 1.74 -1.26 -3.00 116.66 115.92 2edr n ARG 14 Ca 0.31 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.30 2edr n ARG 14 Cb 0.40 -0.86 0.09 0.00 -1.02 0.00 0.00 32.46 31.07 2edr n ARG 14 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2edr n LEU 15 N 2.02 0.00 -3.64 0.55 4.77 -1.26 -4.86 117.00 114.58 2edr n LEU 15 Ca 0.09 -0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.73 2edr n LEU 15 Cb 0.35 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2edr n LEU 15 CO 0.47 -1.89 0.04 0.00 -1.33 0.00 0.00 177.39 174.67 2edr s ARG 16 N -2.82 0.34 0.04 3.23 1.70 -1.26 -4.92 118.95 115.26 2edr s ARG 16 Ca 0.20 1.04 -0.34 0.00 -0.47 0.00 0.00 55.73 56.16 2edr s ARG 16 Cb -0.04 0.33 -0.18 0.00 -0.57 0.00 0.00 34.95 34.50 2edr s ARG 16 CO 0.17 -0.27 0.87 -2.39 -1.08 0.00 0.00 175.30 172.60 2edr n HIS 17 N 5.39 0.36 -4.20 5.89 1.44 -1.26 -4.91 115.22 117.93 2edr n HIS 17 Ca -0.08 0.96 -0.22 0.00 -2.01 0.00 0.00 57.72 56.36 2edr n HIS 17 Cb 0.49 -1.89 -0.17 0.00 0.12 0.00 0.00 29.99 28.54 2edr n HIS 17 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2edr s GLN 18 N -0.20 1.06 -0.64 -1.40 -2.07 -1.21 -4.99 119.66 110.21 2edr s GLN 18 Ca 0.78 -0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 53.96 2edr s GLN 18 Cb -1.10 -1.04 0.10 0.00 -1.09 0.00 0.00 33.01 29.89 2edr s GLN 18 CO 0.52 -0.09 0.79 -2.00 -1.32 0.00 0.00 175.29 173.19 2edr s GLU 19 N 1.02 3.12 0.85 9.60 2.12 -1.26 -2.26 118.70 131.90 2edr s GLU 19 Ca -0.09 -1.29 -0.08 0.00 0.36 0.00 0.00 54.97 53.87 2edr s GLU 19 Cb -0.14 -4.31 0.18 0.00 0.26 0.00 0.00 34.13 30.11 2edr s GLU 19 CO -0.00 -1.61 1.17 -1.54 -0.54 0.00 0.00 175.26 172.73 2edr s SER 20 N 3.59 3.60 -0.02 -1.70 1.04 0.12 -4.92 113.70 115.40 2edr s SER 20 Ca 0.16 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.46 2edr s SER 20 Cb -0.21 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 2edr s SER 20 CO 0.05 -2.39 -0.23 -0.63 0.98 0.00 0.00 173.24 171.02 2edr s ILE 21 N -3.52 1.84 0.31 -1.02 -1.09 -1.26 -1.19 121.20 115.26 2edr s ILE 21 Ca 0.72 -0.99 -0.28 0.00 -2.23 0.00 0.00 60.65 57.86 2edr s ILE 21 Cb -0.03 -1.53 -0.13 0.00 -1.58 0.00 0.00 42.46 39.18 2edr s ILE 21 CO 0.49 0.52 1.07 1.21 -1.23 0.00 0.00 174.94 177.01 2edr n GLU 22 N 2.54 1.54 0.00 2.79 2.13 0.18 -1.00 120.64 128.81 2edr n GLU 22 Ca -0.16 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2edr n GLU 22 Cb 0.52 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2edr n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2edr n GLY 23 N 1.11 2.56 3.60 8.31 0.00 -1.01 -4.37 105.19 115.39 2edr n GLY 23 Ca 0.08 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2edr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edr s ALA 24 N -0.34 0.63 -0.40 4.61 0.00 -0.17 -4.02 121.76 122.06 2edr s ALA 24 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2edr s ALA 24 Cb 0.00 -2.89 0.09 0.00 0.00 0.00 0.00 23.12 20.32 2edr s ALA 24 CO 0.00 -3.55 0.21 0.99 0.00 0.00 0.00 175.76 173.41 2edr s THR 25 N -3.01 3.61 0.70 0.00 2.01 -1.26 -1.51 115.64 116.18 2edr s THR 25 Ca 0.71 -1.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.80 2edr s THR 25 Cb -0.10 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.11 2edr s THR 25 CO 0.56 -0.56 1.23 0.00 -0.69 0.00 0.00 174.62 175.16 2edr s ALA 26 N 1.26 2.19 -0.27 7.40 0.00 -0.48 -4.78 121.76 127.08 2edr s ALA 26 Ca 0.05 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 2edr s ALA 26 Cb -0.23 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.55 2edr s ALA 26 CO -0.02 -1.79 0.43 0.99 0.00 0.00 0.00 175.76 175.37 2edr s THR 27 N -1.80 -0.68 0.50 0.00 2.01 -1.25 -1.32 115.64 113.10 2edr s THR 27 Ca 0.77 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 2edr s THR 27 Cb -0.32 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.28 2edr s THR 27 CO 0.43 -0.17 0.75 -0.76 -0.69 0.00 0.00 174.62 174.18 2edr s LEU 28 N 2.60 3.48 -0.19 4.42 1.43 -0.14 -4.90 118.68 125.38 2edr s LEU 28 Ca 0.12 0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 2edr s LEU 28 Cb -0.14 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.90 2edr s LEU 28 CO -0.23 -0.86 0.49 -0.60 0.23 0.00 0.00 176.35 175.38 2edr s ARG 29 N -4.71 0.55 0.31 1.70 3.52 -1.26 -2.37 118.95 116.70 2edr s ARG 29 Ca 0.51 0.73 0.06 0.00 -0.13 0.00 0.00 55.73 56.90 2edr s ARG 29 Cb -0.10 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.48 2edr s ARG 29 CO 0.40 -0.09 0.25 0.00 -0.81 0.00 0.00 175.30 175.06 2edr s GLU 31 N -3.56 0.46 0.17 0.00 2.12 -1.16 -2.96 118.70 113.77 2edr s GLU 31 Ca 0.40 -0.25 0.11 0.00 0.36 0.00 0.00 54.97 55.59 2edr s GLU 31 Cb 0.03 -0.42 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 2edr s GLU 31 CO 0.25 0.11 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.33 2edr s LEU 32 N -0.27 2.41 0.39 2.70 1.43 -0.65 -2.73 118.68 121.95 2edr s LEU 32 Ca 0.01 -0.84 0.23 0.00 -1.03 0.00 0.00 54.13 52.51 2edr s LEU 32 Cb -0.03 -1.15 1.28 0.00 0.03 0.00 0.00 46.19 46.32 2edr s LEU 32 CO -0.00 0.12 1.70 -1.28 0.23 0.00 0.00 176.35 177.12 2edr h SER 33 N 3.38 0.00 -4.23 2.29 0.87 -0.62 -3.44 113.55 111.80 2edr h SER 33 Ca -0.47 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.28 2edr h SER 33 Cb 1.20 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.97 2edr h SER 33 CO 0.46 0.00 0.70 -1.59 -0.53 0.00 0.00 176.83 175.87 2edr s LYS 34 N -3.61 0.46 -0.29 2.24 -2.85 -1.26 -4.94 119.74 109.48 2edr s LYS 34 Ca -0.03 -0.11 -0.33 0.00 -1.00 0.00 0.00 55.97 54.50 2edr s LYS 34 Cb 0.07 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 2edr s LYS 34 CO 0.21 -0.19 2.19 0.00 0.10 0.00 0.00 175.35 177.66 2edr n ALA 35 N 0.04 1.32 -3.30 0.59 0.00 -1.23 -4.78 120.51 113.15 2edr n ALA 35 Ca -0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 2edr n ALA 35 Cb 0.59 -2.68 -0.07 0.00 0.00 0.00 0.00 19.45 17.30 2edr n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2edr s ALA 36 N 7.52 -1.18 0.35 0.00 0.00 -1.26 -5.00 121.76 122.19 2edr s ALA 36 Ca 1.06 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 53.36 2edr s ALA 36 Cb -0.67 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 2edr s ALA 36 CO 0.44 -0.38 1.21 -1.25 0.00 0.00 0.00 175.76 175.78 2edr s PRO 37 N -1.79 4.29 0.48 0.00 0.04 -1.26 -5.00 135.00 131.75 2edr s PRO 37 Ca -0.09 1.99 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2edr s PRO 37 Cb -0.02 -2.94 -0.00 0.00 0.04 0.00 0.00 34.50 31.58 2edr s PRO 37 CO 0.03 -0.16 0.04 1.33 0.04 0.00 0.00 177.00 178.27 2edr n VAL 38 N 0.59 0.00 -3.39 -0.36 0.24 -1.26 -4.58 118.33 109.56 2edr n VAL 38 Ca 0.01 -2.37 -0.14 0.00 -2.04 0.00 0.00 64.34 59.80 2edr n VAL 38 Cb 0.44 0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 33.29 2edr n VAL 38 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2edr s GLU 39 N -3.75 0.32 0.38 7.34 -6.30 0.55 -4.91 118.70 112.33 2edr s GLU 39 Ca 0.05 0.17 -0.26 0.00 -2.50 0.00 0.00 54.97 52.43 2edr s GLU 39 Cb 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 34.13 33.38 2edr s GLU 39 CO 0.04 -0.84 1.15 -1.58 0.02 0.00 0.00 175.26 174.05 2edr s TRP 40 N 2.43 3.17 -0.05 5.30 0.52 -1.26 -0.22 118.94 128.84 2edr s TRP 40 Ca 0.10 1.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.79 2edr s TRP 40 Cb -0.14 -3.36 0.03 0.00 -1.15 0.00 0.00 33.47 28.84 2edr s TRP 40 CO -0.23 -1.15 0.01 1.03 0.02 0.00 0.00 176.95 176.63 2edr s ARG 41 N -2.16 0.36 -0.72 4.98 0.52 0.32 0.28 118.95 122.54 2edr s ARG 41 Ca 0.55 0.16 -0.12 0.00 -0.52 0.00 0.00 55.73 55.80 2edr s ARG 41 Cb -0.30 -0.72 0.19 0.00 0.52 0.00 0.00 34.95 34.63 2edr s ARG 41 CO 0.38 -0.26 0.63 0.21 0.02 0.00 0.00 175.30 176.29 2edr s LYS 42 N 1.72 3.22 -0.10 3.54 2.20 -0.76 -0.21 119.74 129.36 2edr s LYS 42 Ca 0.00 -2.31 -0.04 0.00 -0.36 0.00 0.00 55.97 53.26 2edr s LYS 42 Cb -0.13 -4.23 0.02 0.00 -1.51 0.00 0.00 37.83 31.98 2edr s LYS 42 CO -0.03 -1.27 0.09 0.41 -0.36 0.00 0.00 175.35 174.19 2edr n GLY 43 N 4.14 -2.27 2.05 5.54 0.00 -0.83 -2.74 105.19 111.08 2edr n GLY 43 Ca 0.07 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 2edr n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2edr n ARG 44 N 1.91 -1.89 -4.34 1.61 1.85 -1.26 -4.88 116.66 109.67 2edr n ARG 44 Ca -0.15 0.40 -0.17 0.00 -1.00 0.00 0.00 57.85 56.93 2edr n ARG 44 Cb 0.30 -4.77 -0.10 0.00 -1.05 0.00 0.00 32.46 26.83 2edr n ARG 44 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2edr s GLU 45 N -3.90 1.40 -0.16 2.89 2.12 -1.11 -5.15 118.70 114.79 2edr s GLU 45 Ca 0.00 -1.74 -0.01 0.00 0.36 0.00 0.00 54.97 53.58 2edr s GLU 45 Cb 0.00 -0.49 0.04 0.00 0.26 0.00 0.00 34.13 33.94 2edr s GLU 45 CO 0.00 -0.19 -0.03 0.45 -0.54 0.00 0.00 175.26 174.95 2edr s SER 46 N -3.33 2.66 -0.35 -1.70 0.15 -1.26 -1.82 113.70 108.06 2edr s SER 46 Ca 0.33 -0.60 -0.23 0.00 0.70 0.00 0.00 55.95 56.15 2edr s SER 46 Cb 0.07 -0.79 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 2edr s SER 46 CO 0.11 -0.21 0.77 -0.76 1.20 0.00 0.00 173.24 174.36 2edr s LEU 47 N 1.72 4.12 0.14 3.45 2.01 0.14 -4.90 118.68 125.37 2edr s LEU 47 Ca 0.01 0.43 0.08 0.00 0.01 0.00 0.00 54.13 54.66 2edr s LEU 47 Cb -0.15 -3.02 -0.04 0.00 0.01 0.00 0.00 46.19 42.99 2edr s LEU 47 CO -0.07 -0.68 -0.08 -0.13 1.01 0.00 0.00 176.35 176.40 2edr s ARG 48 N 3.02 2.16 -0.09 1.70 0.52 -1.26 -4.00 118.95 121.01 2edr s ARG 48 Ca 0.31 -1.12 -0.32 0.00 -0.52 0.00 0.00 55.73 54.08 2edr s ARG 48 Cb -0.14 -2.27 -0.10 0.00 0.52 0.00 0.00 34.95 32.97 2edr s ARG 48 CO 0.15 0.47 1.99 -0.40 0.02 0.00 0.00 175.30 177.54 2edr n ASP 49 N 0.33 3.58 0.00 0.23 5.68 -1.26 -4.75 116.55 120.36 2edr n ASP 49 Ca -0.12 0.79 0.00 0.00 -0.50 0.00 0.00 54.79 54.96 2edr n ASP 49 Cb 0.54 -1.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 2edr n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2edr n GLY 50 N 4.83 4.61 0.00 6.12 0.00 -0.85 -5.02 105.19 114.89 2edr n GLY 50 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2edr n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2edr n ASP 51 N 0.00 0.00 -0.12 1.61 5.75 -1.26 -4.09 116.55 118.43 2edr n ASP 51 Ca 0.00 0.54 -0.24 0.00 -0.01 0.00 0.00 54.79 55.08 2edr n ASP 51 Cb 0.00 -0.17 -0.08 0.00 -1.03 0.00 0.00 41.12 39.84 2edr n ASP 51 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2edr n ARG 52 N -1.72 0.55 -0.99 0.11 5.12 -1.26 -4.90 116.66 113.57 2edr n ARG 52 Ca 0.00 0.24 -0.17 0.00 -1.93 0.00 0.00 57.85 55.99 2edr n ARG 52 Cb 0.00 -1.44 -0.14 0.00 -1.16 0.00 0.00 32.46 29.72 2edr n ARG 52 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2edr n HIS 53 N -4.26 0.07 -3.66 -1.55 8.25 -1.26 -4.82 115.22 108.00 2edr n HIS 53 Ca -0.43 0.05 -0.36 0.00 -0.26 0.00 0.00 57.72 56.71 2edr n HIS 53 Cb 0.78 -0.57 -0.09 0.00 1.12 0.00 0.00 29.99 31.23 2edr n HIS 53 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2edr s SER 54 N 1.16 6.13 -0.74 0.41 0.01 -0.88 -2.00 113.70 117.79 2edr s SER 54 Ca 0.88 0.13 0.03 0.00 1.31 0.00 0.00 55.95 58.30 2edr s SER 54 Cb -0.62 -2.11 0.32 0.00 0.21 0.00 0.00 66.02 63.82 2edr s SER 54 CO 0.37 0.07 1.18 0.18 0.41 0.00 0.00 173.24 175.45 2edr n LEU 55 N 4.22 5.25 -4.68 2.44 7.99 -1.26 -0.06 117.00 130.90 2edr n LEU 55 Ca -0.15 -5.54 -0.42 0.00 -0.01 0.00 0.00 56.01 49.89 2edr n LEU 55 Cb 0.52 -0.79 -0.03 0.00 -0.11 0.00 0.00 43.42 43.01 2edr n LEU 55 CO 0.35 2.18 1.41 0.00 -1.51 0.00 0.00 177.39 179.82 2edr s ARG 56 N -3.48 4.17 0.07 3.23 1.70 -0.96 -4.78 118.95 118.90 2edr s ARG 56 Ca 0.44 2.43 0.07 0.00 -0.47 0.00 0.00 55.73 58.19 2edr s ARG 56 Cb 0.22 -3.70 -0.04 0.00 -0.57 0.00 0.00 34.95 30.86 2edr s ARG 56 CO -0.10 -0.80 -0.13 -0.65 -1.08 0.00 0.00 175.30 172.54 2edr s GLN 57 N 3.02 2.11 -0.20 3.89 -0.21 -1.26 -1.69 119.66 125.32 2edr s GLN 57 Ca 0.78 -1.00 -0.04 0.00 0.02 0.00 0.00 55.36 55.12 2edr s GLN 57 Cb -0.41 -2.26 0.10 0.00 1.00 0.00 0.00 33.01 31.43 2edr s GLN 57 CO 0.34 0.53 0.25 0.34 -2.12 0.00 0.00 175.29 174.63 2edr s ASP 58 N -1.86 1.09 0.82 5.90 2.15 -0.11 -5.02 116.67 119.64 2edr s ASP 58 Ca 0.18 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.09 2edr s ASP 58 Cb -0.11 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 2edr s ASP 58 CO 0.10 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 2edr n GLY 59 N 5.33 0.47 2.14 2.66 0.00 -1.26 -0.86 105.19 113.66 2edr n GLY 59 Ca -0.05 0.68 -0.21 0.00 0.00 0.00 0.00 46.02 46.44 2edr n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edr n ALA 60 N 7.90 4.75 -3.71 4.61 0.00 -1.26 -3.55 120.51 129.24 2edr n ALA 60 Ca 0.00 -3.70 -0.13 0.00 0.00 0.00 0.00 53.44 49.61 2edr n ALA 60 Cb 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 2edr n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2edr s VAL 61 N -4.55 -0.13 0.08 0.00 1.01 -0.04 -1.64 120.40 115.13 2edr s VAL 61 Ca 0.48 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.70 2edr s VAL 61 Cb 0.40 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 2edr s VAL 61 CO 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 175.10 175.19 2edr s GLU 63 N -2.21 -0.06 -0.25 0.00 2.02 -0.68 -1.54 118.70 115.98 2edr s GLU 63 Ca 0.25 0.40 -0.11 0.00 0.02 0.00 0.00 54.97 55.53 2edr s GLU 63 Cb -0.12 -0.45 -0.05 0.00 0.10 0.00 0.00 34.13 33.62 2edr s GLU 63 CO 0.17 -0.32 0.17 -1.17 0.02 0.00 0.00 175.26 174.14 2edr s LEU 64 N 2.12 4.09 -0.12 1.80 2.96 -1.00 -2.27 118.68 126.26 2edr s LEU 64 Ca 0.04 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2edr s LEU 64 Cb -0.12 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2edr s LEU 64 CO -0.04 0.03 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.40 2edr s GLN 65 N 1.27 3.28 -0.24 1.98 0.74 0.91 -0.97 119.66 126.63 2edr s GLN 65 Ca 0.08 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 54.94 2edr s GLN 65 Cb -0.14 -2.79 0.08 0.00 1.10 0.00 0.00 33.01 31.26 2edr s GLN 65 CO 0.06 0.44 0.08 0.42 -0.55 0.00 0.00 175.29 175.75 2edr s ILE 66 N -0.20 0.35 0.76 -2.34 1.01 -0.44 -2.07 121.20 118.28 2edr s ILE 66 Ca 0.03 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 2edr s ILE 66 Cb -0.13 -1.09 0.05 0.00 0.01 0.00 0.00 42.46 41.30 2edr s ILE 66 CO 0.02 -0.46 1.14 0.00 0.00 0.00 0.00 174.94 175.64 2edr n GLY 68 N -3.15 -0.45 3.45 0.00 0.00 -1.23 -4.93 105.19 98.88 2edr n GLY 68 Ca 0.07 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 2edr n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2edr n LEU 69 N -4.14 -0.09 -3.66 0.99 4.77 -0.57 -4.76 117.00 109.54 2edr n LEU 69 Ca -0.26 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 55.82 2edr n LEU 69 Cb 0.66 -1.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 2edr n LEU 69 CO 0.66 -3.13 0.24 0.00 -1.33 0.00 0.00 177.39 173.83 2edr s ALA 70 N -2.42 -1.62 0.56 -1.18 0.00 -1.26 -2.39 121.76 113.45 2edr s ALA 70 Ca 0.61 2.12 0.50 0.00 0.00 0.00 0.00 51.96 55.18 2edr s ALA 70 Cb -0.20 -1.32 1.71 0.00 0.00 0.00 0.00 23.12 23.31 2edr s ALA 70 CO 0.65 -0.43 1.56 0.28 0.00 0.00 0.00 175.76 177.82 2edr h VAL 71 N 5.32 0.01 -0.16 0.00 2.07 -1.88 1.52 116.25 123.13 2edr h VAL 71 Ca -0.30 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 2edr h VAL 71 Cb 1.20 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2edr h VAL 71 CO 0.19 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 177.25 2edr h ALA 72 N 0.98 0.28 -0.84 1.67 0.00 -1.95 -3.12 119.26 116.29 2edr h ALA 72 Ca 0.92 -0.51 0.22 0.00 0.00 0.00 0.00 54.91 55.55 2edr h ALA 72 Cb 3.76 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 21.48 2edr h ALA 72 CO -0.01 0.48 0.59 -0.44 0.00 0.00 0.00 179.25 179.86 2edr h ASP 73 N 0.31 0.13 -2.57 0.00 5.19 0.18 -3.42 116.42 116.24 2edr h ASP 73 Ca -0.02 0.01 -0.60 0.00 -0.62 0.00 0.00 57.03 55.80 2edr h ASP 73 Cb 1.15 -0.01 0.11 0.00 0.18 0.00 0.00 39.33 40.76 2edr h ASP 73 CO 0.11 0.05 0.22 0.00 -3.12 0.00 0.00 179.24 176.50 2edr n ALA 74 N -2.64 0.03 0.00 3.45 0.00 -1.16 -4.71 120.51 115.48 2edr n ALA 74 Ca 0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2edr n ALA 74 Cb 0.82 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2edr n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2edr n GLY 75 N 1.25 -1.88 3.42 0.00 0.00 -1.01 -5.01 105.19 101.96 2edr n GLY 75 Ca 0.09 0.76 0.01 0.00 0.00 0.00 0.00 46.02 46.88 2edr n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2edr s GLU 76 N 0.00 0.37 -0.19 1.61 2.12 -1.26 -3.43 118.70 117.92 2edr s GLU 76 Ca 0.00 0.89 -0.05 0.00 0.36 0.00 0.00 54.97 56.17 2edr s GLU 76 Cb 0.00 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.89 2edr s GLU 76 CO 0.00 -0.18 0.01 0.71 -0.54 0.00 0.00 175.26 175.26 2edr s TYR 77 N 2.64 3.08 -0.05 5.30 1.51 -1.24 -1.96 117.35 126.63 2edr s TYR 77 Ca -0.01 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 2edr s TYR 77 Cb -0.09 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2edr s TYR 77 CO -0.18 -0.12 -0.22 -1.12 -1.11 0.00 0.00 175.55 172.81 2edr s SER 78 N 0.77 3.38 -0.31 2.29 0.01 0.71 -1.29 113.70 119.25 2edr s SER 78 Ca 0.01 -0.40 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 2edr s SER 78 Cb -0.14 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.36 2edr s SER 78 CO 0.02 0.29 0.12 0.00 0.41 0.00 0.00 173.24 174.08 2edr s VAL 80 N 1.54 5.26 0.00 0.00 1.01 0.69 -3.19 120.40 125.72 2edr s VAL 80 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2edr s VAL 80 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2edr s VAL 80 CO 0.04 0.44 0.00 0.00 0.00 0.00 0.00 175.10 175.59 2edr n GLY 82 N 2.86 -1.18 0.08 0.00 0.00 -1.26 -4.75 105.19 100.94 2edr n GLY 82 Ca 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 2edr n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2edr h GLU 83 N 0.00 0.00 -6.28 1.61 3.07 -1.98 -3.46 114.58 107.54 2edr h GLU 83 Ca 0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 2edr h GLU 83 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2edr h GLU 83 CO 0.00 0.75 -0.38 -1.21 -1.40 0.00 0.00 179.01 176.77 2edr s GLU 84 N -2.71 2.98 -0.29 2.33 0.41 -1.26 -5.13 118.70 115.03 2edr s GLU 84 Ca -0.01 -1.11 -0.14 0.00 -0.41 0.00 0.00 54.97 53.30 2edr s GLU 84 Cb 0.09 -2.70 0.13 0.00 -1.78 0.00 0.00 34.13 29.87 2edr s GLU 84 CO 0.82 0.07 0.79 0.50 -0.49 0.00 0.00 175.26 176.95 2edr s ARG 85 N -4.12 0.51 0.33 1.61 3.52 -1.26 -3.63 118.95 115.91 2edr s ARG 85 Ca 0.44 1.09 0.09 0.00 -0.13 0.00 0.00 55.73 57.22 2edr s ARG 85 Cb -0.08 0.43 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 2edr s ARG 85 CO 0.30 -0.14 0.07 -0.08 -0.81 0.00 0.00 175.30 174.63 2edr s THR 86 N 2.17 2.93 0.24 4.11 -1.32 -1.19 -4.93 115.64 117.63 2edr s THR 86 Ca -0.07 -1.84 -0.05 0.00 -1.21 0.00 0.00 61.69 58.52 2edr s THR 86 Cb -0.07 -2.88 -0.02 0.00 -1.51 0.00 0.00 72.50 68.01 2edr s THR 86 CO -0.18 -0.22 0.28 -0.55 -2.21 0.00 0.00 174.62 171.74 2edr s SER 87 N -3.77 0.22 -0.26 8.08 0.15 -1.26 0.04 113.70 116.91 2edr s SER 87 Ca 0.35 -1.26 -0.02 0.00 0.70 0.00 0.00 55.95 55.73 2edr s SER 87 Cb -0.02 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.92 2edr s SER 87 CO 0.21 -0.99 0.40 0.00 1.20 0.00 0.00 173.24 174.06 2edr s ALA 88 N -3.98 -1.21 -0.34 5.45 0.00 -0.41 -4.48 121.76 116.80 2edr s ALA 88 Ca 0.33 0.84 -0.38 0.00 0.00 0.00 0.00 51.96 52.75 2edr s ALA 88 Cb 0.04 -1.80 -0.14 0.00 0.00 0.00 0.00 23.12 21.22 2edr s ALA 88 CO 0.13 -1.37 2.03 2.41 0.00 0.00 0.00 175.76 178.96 2edr n THR 89 N 5.37 0.22 -3.15 0.00 -1.04 -1.26 -3.64 114.28 110.78 2edr n THR 89 Ca -0.03 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.42 2edr n THR 89 Cb 0.50 -1.37 -0.07 0.00 -1.82 0.00 0.00 70.33 67.57 2edr n THR 89 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2edr s LEU 90 N 5.85 4.11 -0.30 -4.42 2.96 -1.22 -3.33 118.68 122.33 2edr s LEU 90 Ca 1.07 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 55.38 2edr s LEU 90 Cb -1.00 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 2edr s LEU 90 CO 0.57 -0.41 0.14 -0.89 -1.32 0.00 0.00 176.35 174.43 2edr s THR 91 N 2.51 4.54 -0.10 3.68 2.01 -0.96 -2.42 115.64 124.90 2edr s THR 91 Ca 0.24 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 2edr s THR 91 Cb -0.15 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2edr s THR 91 CO 0.10 0.11 0.26 -0.69 -0.69 0.00 0.00 174.62 173.71 2edr s VAL 92 N 1.61 5.31 0.41 3.82 1.01 -1.26 0.11 120.40 131.41 2edr s VAL 92 Ca 0.05 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.58 2edr s VAL 92 Cb -0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2edr s VAL 92 CO 0.06 0.54 0.32 -0.54 0.00 0.00 0.00 175.10 175.48 2edr s LYS 93 N -0.58 2.45 -0.34 2.72 -0.14 -0.33 -4.84 119.74 118.68 2edr s LYS 93 Ca 0.17 -1.61 -0.16 0.00 -1.36 0.00 0.00 55.97 53.01 2edr s LYS 93 Cb -0.14 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 33.73 2edr s LYS 93 CO 0.06 -0.16 0.39 0.00 -0.76 0.00 0.00 175.35 174.88 2edr s ALA 94 N -2.50 3.50 0.47 5.17 0.00 -1.26 0.48 121.76 127.61 2edr s ALA 94 Ca 0.46 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 2edr s ALA 94 Cb -0.01 -2.85 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 2edr s ALA 94 CO 0.26 -1.08 1.39 -0.48 0.00 0.00 0.00 175.76 175.85 2edr s LEU 95 N 2.09 4.05 -0.80 0.00 0.05 -1.26 -4.88 118.68 117.93 2edr s LEU 95 Ca 0.13 2.83 -0.25 0.00 0.05 0.00 0.00 54.13 56.89 2edr s LEU 95 Cb -0.16 -4.03 -0.04 0.00 -2.05 0.00 0.00 46.19 39.91 2edr s LEU 95 CO 0.12 -1.24 1.92 -2.16 -0.55 0.00 0.00 176.35 174.43 2edr s PRO 96 N -2.56 2.58 -0.72 1.48 0.04 -1.26 -4.93 135.00 129.63 2edr s PRO 96 Ca 0.63 0.02 -0.22 0.00 0.04 0.00 0.00 61.00 61.48 2edr s PRO 96 Cb -0.42 -4.83 0.08 0.00 0.04 0.00 0.00 34.50 29.37 2edr s PRO 96 CO 0.53 -3.16 1.02 -1.54 0.04 0.00 0.00 177.00 173.88 2edr s SER 97 N 8.07 6.27 0.00 6.66 1.04 -1.26 -4.67 113.70 129.81 2edr s SER 97 Ca 0.69 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2edr s SER 97 Cb -0.09 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2edr s SER 97 CO 0.07 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.51 2edr n GLY 98 N 5.42 1.26 3.66 7.32 0.00 -1.26 -5.10 105.19 116.47 2edr n GLY 98 Ca 0.03 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2edr n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edr s PRO 99 N 0.00 4.15 -0.22 1.61 0.04 -1.26 -4.92 135.00 134.40 2edr s PRO 99 Ca 0.00 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2edr s PRO 99 Cb 0.00 -3.92 -0.06 0.00 0.04 0.00 0.00 34.50 30.56 2edr s PRO 99 CO 0.00 -0.86 2.21 -1.13 0.04 0.00 0.00 177.00 177.27 2edr n SER 100 N 7.12 3.20 -0.06 6.66 3.41 -1.26 -4.78 113.62 127.91 2edr n SER 100 Ca 0.16 0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.89 2edr n SER 100 Cb 0.44 -1.53 -0.05 0.00 -0.26 0.00 0.00 64.21 62.81 2edr n SER 100 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2edr n SER 101 N 11.42 1.26 0.00 4.04 3.41 -1.26 -5.33 113.62 127.16 2edr n SER 101 Ca 0.31 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2edr n SER 101 Cb 0.43 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2edr n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49