#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edr s SER 2 N 0.00 -0.36 -0.10 1.61 1.04 -1.26 -5.06 113.70 109.57 2edr s SER 2 Ca 0.00 0.82 -0.10 0.00 0.48 0.00 0.00 55.95 57.15 2edr s SER 2 Cb 0.00 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 2edr s SER 2 CO 0.00 -0.20 -0.21 -1.20 0.98 0.00 0.00 173.24 172.61 2edr n SER 3 N 4.54 1.42 0.00 7.02 7.64 -1.26 -5.13 113.62 127.85 2edr n SER 3 Ca -0.20 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2edr n SER 3 Cb 0.53 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2edr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edr n GLY 4 N 2.17 4.42 0.07 0.23 0.00 -1.26 -5.08 105.19 105.73 2edr n GLY 4 Ca -0.18 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 2edr n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2edr h SER 5 N 0.00 0.00 -2.12 1.61 0.02 -2.05 -3.47 113.55 107.54 2edr h SER 5 Ca 0.00 -0.48 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 2edr h SER 5 Cb 0.00 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.71 2edr h SER 5 CO 0.00 0.84 -0.95 -0.24 -1.14 0.00 0.00 176.83 175.34 2edr n SER 6 N -4.65 -2.95 0.00 3.07 2.88 -1.26 -4.90 113.62 105.81 2edr n SER 6 Ca -0.08 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2edr n SER 6 Cb 0.30 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2edr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edr n GLY 7 N 2.32 3.77 3.49 0.46 0.00 -1.26 -4.97 105.19 109.00 2edr n GLY 7 Ca 0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.15 -2.40 1.61 -0.04 -1.26 -4.96 135.00 124.80 2edr n PRO 8 Ca 0.00 -1.74 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 2edr n PRO 8 Cb 0.00 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.02 3.50 -0.12 0.55 0.00 -1.26 -4.97 121.76 116.44 2edr s ALA 9 Ca 0.71 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 2edr s ALA 9 Cb -0.07 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2edr s ALA 9 CO 0.54 -0.74 0.82 -3.38 0.00 0.00 0.00 175.76 173.00 2edr s HIS 10 N 2.07 3.49 -0.22 0.00 -3.43 -1.26 -4.69 115.29 111.24 2edr s HIS 10 Ca 0.58 1.31 -0.31 0.00 -0.80 0.00 0.00 55.06 55.84 2edr s HIS 10 Cb -0.27 -2.98 -0.08 0.00 -1.43 0.00 0.00 32.58 27.83 2edr s HIS 10 CO 0.24 -0.13 2.17 1.19 -2.00 0.00 0.00 174.74 176.21 2edr n PHE 11 N 4.71 1.94 -0.04 0.38 3.72 -1.26 -1.37 117.46 125.53 2edr n PHE 11 Ca 0.03 -0.03 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2edr n PHE 11 Cb 0.50 -2.68 -0.14 0.00 -0.94 0.00 0.00 39.48 36.22 2edr n PHE 11 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2edr n ILE 12 N 7.23 1.59 -3.50 4.37 -5.35 -1.17 -4.61 119.36 117.92 2edr n ILE 12 Ca 0.32 -0.76 -0.32 0.00 -0.27 0.00 0.00 62.75 61.72 2edr n ILE 12 Cb 0.38 -1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 37.10 2edr n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2edr n GLY 13 N 1.77 4.54 3.43 3.28 0.00 -1.20 -4.99 105.19 112.02 2edr n GLY 13 Ca -0.27 -2.68 -0.42 0.00 0.00 0.00 0.00 46.02 42.65 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 1.53 0.47 -0.52 1.61 1.74 -1.26 -2.41 116.66 117.82 2edr n ARG 14 Ca 0.25 0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 57.25 2edr n ARG 14 Cb 0.37 -1.40 0.19 0.00 -1.02 0.00 0.00 32.46 30.60 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 1.50 -1.56 -3.66 0.55 4.77 -1.26 -4.87 117.00 112.47 2edr n LEU 15 Ca 0.12 -0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 55.48 2edr n LEU 15 Cb 0.38 -0.89 -0.17 0.00 -2.33 0.00 0.00 43.42 40.41 2edr n LEU 15 CO 0.55 -3.42 -0.34 0.00 -1.33 0.00 0.00 177.39 172.85 2edr s ARG 16 N -3.77 0.19 -0.06 3.23 1.70 -1.26 -4.93 118.95 114.05 2edr s ARG 16 Ca 0.50 -0.05 -0.31 0.00 -0.47 0.00 0.00 55.73 55.40 2edr s ARG 16 Cb -0.10 -1.58 -0.15 0.00 -0.57 0.00 0.00 34.95 32.55 2edr s ARG 16 CO 0.50 -0.57 0.87 -2.39 -1.08 0.00 0.00 175.30 172.63 2edr n HIS 17 N 5.23 0.62 -4.63 5.89 -0.00 -1.26 -4.94 115.22 116.13 2edr n HIS 17 Ca -0.07 0.81 -0.24 0.00 -0.00 0.00 0.00 57.72 58.22 2edr n HIS 17 Cb 0.49 -1.59 -0.16 0.00 -0.00 0.00 0.00 29.99 28.73 2edr n HIS 17 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2edr s GLN 18 N 0.36 1.62 -0.45 -1.40 -2.07 -1.10 -4.99 119.66 111.64 2edr s GLN 18 Ca 0.70 -0.45 -0.13 0.00 -1.82 0.00 0.00 55.36 53.65 2edr s GLN 18 Cb -0.98 -1.38 0.07 0.00 -1.09 0.00 0.00 33.01 29.63 2edr s GLN 18 CO 0.46 0.10 0.34 -2.00 -1.32 0.00 0.00 175.29 172.87 2edr s GLU 19 N 0.41 2.85 0.37 9.60 2.12 -1.26 -2.24 118.70 130.56 2edr s GLU 19 Ca -0.10 -1.37 0.06 0.00 0.36 0.00 0.00 54.97 53.92 2edr s GLU 19 Cb -0.14 -4.00 0.06 0.00 0.26 0.00 0.00 34.13 30.31 2edr s GLU 19 CO 0.03 -0.99 0.50 0.43 -0.54 0.00 0.00 175.26 174.69 2edr n SER 20 N 5.10 1.40 -4.34 -1.70 7.64 0.17 -4.94 113.62 116.96 2edr n SER 20 Ca -0.12 -2.00 -0.31 0.00 1.01 0.00 0.00 58.87 57.45 2edr n SER 20 Cb 0.44 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 63.22 2edr n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2edr s ILE 21 N -1.33 2.18 0.17 0.44 1.01 -1.26 -1.62 121.20 120.78 2edr s ILE 21 Ca 0.38 -1.15 -0.33 0.00 0.00 0.00 0.00 60.65 59.55 2edr s ILE 21 Cb -0.03 -1.79 -0.15 0.00 0.01 0.00 0.00 42.46 40.50 2edr s ILE 21 CO 0.24 0.52 1.26 1.21 0.00 0.00 0.00 174.94 178.17 2edr n GLU 22 N 2.24 1.39 0.00 2.79 2.13 -0.42 -1.24 120.64 127.53 2edr n GLU 22 Ca -0.16 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2edr n GLU 22 Cb 0.51 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 2.19 2.06 1.46 8.31 0.00 -0.05 -4.15 105.19 115.02 2edr n GLY 23 Ca 0.15 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2edr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edr n ALA 24 N 0.00 -1.60 -3.92 4.61 0.00 -0.37 -2.84 120.51 116.39 2edr n ALA 24 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 2edr n ALA 24 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 2edr n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edr s THR 25 N -1.32 2.71 0.76 0.00 2.01 -1.26 -1.28 115.64 117.27 2edr s THR 25 Ca 0.20 -2.28 -0.12 0.00 0.31 0.00 0.00 61.69 59.80 2edr s THR 25 Cb -0.04 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.60 2edr s THR 25 CO 0.17 -0.65 1.13 0.00 -0.69 0.00 0.00 174.62 174.58 2edr s ALA 26 N 0.93 2.15 -0.27 7.40 0.00 0.12 -4.83 121.76 127.26 2edr s ALA 26 Ca 0.10 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 2edr s ALA 26 Cb -0.21 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 19.72 2edr s ALA 26 CO -0.06 -1.84 0.46 0.99 0.00 0.00 0.00 175.76 175.31 2edr s THR 27 N -2.55 -0.74 0.42 0.00 2.01 -1.25 -1.05 115.64 112.48 2edr s THR 27 Ca 0.66 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2edr s THR 27 Cb -0.21 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2edr s THR 27 CO 0.51 -0.12 0.64 -0.76 -0.69 0.00 0.00 174.62 174.20 2edr s LEU 28 N 2.64 3.75 -0.16 4.42 1.43 0.61 -4.90 118.68 126.47 2edr s LEU 28 Ca 0.14 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.41 2edr s LEU 28 Cb -0.14 -3.25 0.05 0.00 0.03 0.00 0.00 46.19 42.88 2edr s LEU 28 CO -0.22 -0.58 0.53 -0.60 0.23 0.00 0.00 176.35 175.71 2edr s ARG 29 N -4.50 0.68 0.21 1.70 3.52 -1.26 -1.70 118.95 117.59 2edr s ARG 29 Ca 0.46 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 2edr s ARG 29 Cb -0.10 0.33 -0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2edr s ARG 29 CO 0.38 -0.12 0.25 0.00 -0.81 0.00 0.00 175.30 175.00 2edr s GLU 31 N -2.63 0.53 0.08 0.00 2.12 -1.01 -3.10 118.70 114.69 2edr s GLU 31 Ca 0.20 -0.96 0.03 0.00 0.36 0.00 0.00 54.97 54.60 2edr s GLU 31 Cb 0.00 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2edr s GLU 31 CO 0.15 -0.05 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.22 2edr s LEU 32 N -2.24 2.39 0.65 2.70 1.43 -0.78 -3.07 118.68 119.76 2edr s LEU 32 Ca -0.03 -0.78 0.41 0.00 -1.03 0.00 0.00 54.13 52.70 2edr s LEU 32 Cb -0.01 -0.18 2.22 0.00 0.03 0.00 0.00 46.19 48.24 2edr s LEU 32 CO -0.05 -0.31 2.25 0.77 0.23 0.00 0.00 176.35 179.25 2edr h SER 33 N 3.70 0.00 -3.78 2.29 4.64 -1.50 -3.44 113.55 115.47 2edr h SER 33 Ca -0.36 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2edr h SER 33 Cb 1.19 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.03 2edr h SER 33 CO 0.52 0.00 0.59 -1.59 -0.87 0.00 0.00 176.83 175.49 2edr s LYS 34 N -4.11 0.50 -0.41 4.77 -2.85 -1.26 -4.96 119.74 111.42 2edr s LYS 34 Ca -0.05 0.20 -0.40 0.00 -1.00 0.00 0.00 55.97 54.72 2edr s LYS 34 Cb 0.12 0.24 -0.16 0.00 -2.06 0.00 0.00 37.83 35.97 2edr s LYS 34 CO 0.37 -0.14 2.06 0.00 0.10 0.00 0.00 175.35 177.74 2edr n ALA 35 N 0.96 0.36 -3.22 0.59 0.00 -1.26 -4.64 120.51 113.30 2edr n ALA 35 Ca -0.09 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2edr n ALA 35 Cb 0.58 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 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 5.89 -1.02 0.35 0.00 0.00 -1.26 -4.88 121.76 120.83 2edr s ALA 36 Ca 1.12 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.23 2edr s ALA 36 Cb -1.19 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 2edr s ALA 36 CO 0.61 -0.38 1.21 -1.25 0.00 0.00 0.00 175.76 175.94 2edr s PRO 37 N -1.97 4.30 0.27 0.00 0.04 -1.26 -4.95 135.00 131.43 2edr s PRO 37 Ca -0.08 1.99 0.04 0.00 0.04 0.00 0.00 61.00 62.98 2edr s PRO 37 Cb -0.02 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.51 2edr s PRO 37 CO 0.01 -0.15 0.02 0.14 0.04 0.00 0.00 177.00 177.06 2edr s VAL 38 N -1.24 1.14 -0.24 -0.36 -7.23 -1.26 -4.51 120.40 106.70 2edr s VAL 38 Ca 0.51 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 2edr s VAL 38 Cb -0.35 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.13 2edr s VAL 38 CO 0.45 -0.18 0.10 -0.70 -0.31 0.00 0.00 175.10 174.46 2edr s GLU 39 N -3.87 0.29 0.31 4.82 2.12 0.26 -4.94 118.70 117.68 2edr s GLU 39 Ca 0.32 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 2edr s GLU 39 Cb 0.07 -1.64 -0.10 0.00 0.26 0.00 0.00 34.13 32.72 2edr s GLU 39 CO 0.12 -0.84 1.22 -1.58 -0.54 0.00 0.00 175.26 173.65 2edr s TRP 40 N 2.02 3.27 -0.23 5.30 0.52 -1.26 -1.59 118.94 126.96 2edr s TRP 40 Ca 0.05 1.53 -0.02 0.00 0.02 0.00 0.00 56.10 57.68 2edr s TRP 40 Cb -0.16 -3.52 0.07 0.00 -1.15 0.00 0.00 33.47 28.71 2edr s TRP 40 CO -0.21 -1.32 0.05 1.03 0.02 0.00 0.00 176.95 176.52 2edr s ARG 41 N -1.65 0.71 -0.93 4.98 0.52 0.17 -0.02 118.95 122.73 2edr s ARG 41 Ca 0.47 -0.62 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 2edr s ARG 41 Cb -0.37 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 2edr s ARG 41 CO 0.48 -0.74 1.96 0.21 0.02 0.00 0.00 175.30 177.23 2edr s LYS 42 N 1.78 2.51 0.80 3.54 2.20 -1.17 -1.29 119.74 128.10 2edr s LYS 42 Ca 0.02 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2edr s LYS 42 Cb -0.17 -5.08 0.00 0.00 -1.51 0.00 0.00 37.83 31.07 2edr s LYS 42 CO -0.13 -3.50 0.00 0.41 -0.36 0.00 0.00 175.35 171.76 2edr n GLY 43 N 6.72 1.90 1.80 5.54 0.00 0.20 -2.98 105.19 118.37 2edr n GLY 43 Ca 0.41 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 1.09 -4.41 1.61 1.85 -1.26 -4.92 116.66 110.63 2edr n ARG 44 Ca 0.00 -2.85 -0.20 0.00 -1.00 0.00 0.00 57.85 53.80 2edr n ARG 44 Cb 0.00 -0.93 -0.10 0.00 -1.05 0.00 0.00 32.46 30.37 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 -1.95 1.56 -0.22 2.89 2.12 -1.16 -5.14 118.70 116.81 2edr s GLU 45 Ca 0.34 -1.85 -0.04 0.00 0.36 0.00 0.00 54.97 53.78 2edr s GLU 45 Cb 0.37 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 2edr s GLU 45 CO -0.10 -0.20 -0.03 0.45 -0.54 0.00 0.00 175.26 174.84 2edr s SER 46 N -3.43 4.44 -0.08 -1.70 0.15 -1.26 -3.06 113.70 108.76 2edr s SER 46 Ca 0.36 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 2edr s SER 46 Cb 0.08 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 2edr s SER 46 CO 0.14 -0.01 0.11 -0.76 1.20 0.00 0.00 173.24 173.92 2edr s LEU 47 N 1.44 4.13 0.03 3.45 1.02 0.98 -4.95 118.68 124.77 2edr s LEU 47 Ca 0.05 0.33 -0.03 0.00 0.02 0.00 0.00 54.13 54.51 2edr s LEU 47 Cb -0.14 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.94 2edr s LEU 47 CO -0.02 0.36 0.03 -0.13 0.02 0.00 0.00 176.35 176.62 2edr s ARG 48 N -1.21 0.47 -0.05 1.70 0.52 -1.26 -4.08 118.95 115.04 2edr s ARG 48 Ca 0.17 -0.71 -0.32 0.00 -0.52 0.00 0.00 55.73 54.35 2edr s ARG 48 Cb -0.12 0.18 -0.10 0.00 0.52 0.00 0.00 34.95 35.43 2edr s ARG 48 CO 0.07 -0.10 1.97 -0.40 0.02 0.00 0.00 175.30 176.86 2edr n ASP 49 N 1.10 3.76 0.00 0.23 5.68 -1.26 -4.79 116.55 121.27 2edr n ASP 49 Ca -0.21 0.86 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 2edr n ASP 49 Cb 0.57 -1.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.09 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 4.65 5.00 0.00 6.12 0.00 -0.68 -5.02 105.19 115.25 2edr n GLY 50 Ca 0.22 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2edr n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2edr n ASP 51 N 0.00 0.00 -0.12 1.61 -0.08 -1.26 -4.14 116.55 112.56 2edr n ASP 51 Ca 0.00 0.66 -0.24 0.00 -1.51 0.00 0.00 54.79 53.70 2edr n ASP 51 Cb 0.00 -0.24 -0.08 0.00 2.34 0.00 0.00 41.12 43.14 2edr n ASP 51 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2edr n ARG 52 N -2.02 0.54 -1.17 -0.67 5.12 -1.26 -4.91 116.66 112.29 2edr n ARG 52 Ca 0.00 0.23 -0.28 0.00 -1.93 0.00 0.00 57.85 55.87 2edr n ARG 52 Cb 0.00 -1.42 -0.13 0.00 -1.16 0.00 0.00 32.46 29.75 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 -4.22 0.33 -3.87 -1.55 8.25 -1.25 -4.84 115.22 108.06 2edr n HIS 53 Ca -0.43 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 56.90 2edr n HIS 53 Cb 0.78 -1.50 -0.10 0.00 1.12 0.00 0.00 29.99 30.29 2edr n HIS 53 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2edr s SER 54 N 5.32 5.70 -0.31 0.41 0.15 -0.90 -1.69 113.70 122.38 2edr s SER 54 Ca 1.05 0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.82 2edr s SER 54 Cb -0.90 -2.00 0.46 0.00 -1.71 0.00 0.00 66.02 61.86 2edr s SER 54 CO 0.40 0.12 1.26 0.18 1.20 0.00 0.00 173.24 176.39 2edr n LEU 55 N 3.93 4.85 -4.51 3.45 7.99 -1.25 -0.14 117.00 131.33 2edr n LEU 55 Ca -0.16 -4.59 -0.39 0.00 -0.01 0.00 0.00 56.01 50.86 2edr n LEU 55 Cb 0.52 -0.42 0.03 0.00 -0.11 0.00 0.00 43.42 43.45 2edr n LEU 55 CO 0.35 1.96 0.23 -2.11 -1.51 0.00 0.00 177.39 176.31 2edr n ARG 56 N -0.78 0.69 -4.55 3.23 1.85 -1.17 -4.57 116.66 111.36 2edr n ARG 56 Ca 0.42 0.26 -0.21 0.00 -1.00 0.00 0.00 57.85 57.33 2edr n ARG 56 Cb 0.92 -1.82 -0.15 0.00 -1.05 0.00 0.00 32.46 30.36 2edr n ARG 56 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2edr s GLN 57 N -2.17 1.01 -0.55 2.89 -0.21 -1.26 -1.96 119.66 117.40 2edr s GLN 57 Ca 0.69 -0.44 0.06 0.00 0.02 0.00 0.00 55.36 55.70 2edr s GLN 57 Cb -0.47 -0.97 0.24 0.00 1.00 0.00 0.00 33.01 32.81 2edr s GLN 57 CO 0.53 0.26 0.62 -3.47 -2.12 0.00 0.00 175.29 171.11 2edr n ASP 58 N 2.80 2.27 -2.60 5.90 2.03 0.79 -4.96 116.55 122.78 2edr n ASP 58 Ca -0.14 -3.11 -0.04 0.00 0.52 0.00 0.00 54.79 52.02 2edr n ASP 58 Cb 0.56 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 2edr n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2edr n GLY 59 N 1.27 -4.52 2.61 0.27 0.00 -1.26 -3.76 105.19 99.80 2edr n GLY 59 Ca 0.26 1.20 -0.11 0.00 0.00 0.00 0.00 46.02 47.38 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 1.88 -0.88 -3.51 4.61 0.00 -1.26 -4.86 120.51 116.48 2edr n ALA 60 Ca -0.28 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 2edr n ALA 60 Cb 0.43 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.49 -0.26 0.02 0.00 1.01 -1.25 -1.87 120.40 115.57 2edr s VAL 61 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2edr s VAL 61 Cb -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2edr s VAL 61 CO 0.08 -0.32 0.19 0.00 0.00 0.00 0.00 175.10 175.05 2edr s GLU 63 N -2.18 0.09 -0.27 0.00 2.02 -0.83 -1.21 118.70 116.32 2edr s GLU 63 Ca 0.30 0.56 -0.09 0.00 0.02 0.00 0.00 54.97 55.76 2edr s GLU 63 Cb -0.13 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 2edr s GLU 63 CO 0.23 -0.26 0.14 -1.17 0.02 0.00 0.00 175.26 174.22 2edr s LEU 64 N 1.97 3.81 -0.33 1.80 2.96 -0.69 -3.06 118.68 125.13 2edr s LEU 64 Ca -0.01 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2edr s LEU 64 Cb -0.12 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2edr s LEU 64 CO -0.07 -0.06 0.15 -1.58 -1.32 0.00 0.00 176.35 173.47 2edr s GLN 65 N 1.69 3.03 -0.25 1.98 0.74 0.81 -0.28 119.66 127.37 2edr s GLN 65 Ca 0.07 -0.93 -0.04 0.00 0.05 0.00 0.00 55.36 54.51 2edr s GLN 65 Cb -0.16 -3.58 0.01 0.00 1.10 0.00 0.00 33.01 30.39 2edr s GLN 65 CO 0.08 -0.55 -0.02 0.42 -0.55 0.00 0.00 175.29 174.67 2edr s ILE 66 N 1.55 3.29 0.61 -2.34 1.01 -0.21 -2.12 121.20 122.98 2edr s ILE 66 Ca 0.03 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.88 2edr s ILE 66 Cb -0.18 -2.63 0.06 0.00 0.01 0.00 0.00 42.46 39.72 2edr s ILE 66 CO 0.05 0.22 0.85 0.00 0.00 0.00 0.00 174.94 176.06 2edr n GLY 68 N -2.50 -0.28 3.15 0.00 0.00 -1.15 -4.89 105.19 99.52 2edr n GLY 68 Ca 0.10 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.42 -2.65 -3.64 0.99 4.77 -0.40 -4.52 117.00 107.13 2edr n LEU 69 Ca -0.22 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.62 2edr n LEU 69 Cb 0.64 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2edr n LEU 69 CO 0.78 -2.80 0.43 0.00 -1.33 0.00 0.00 177.39 174.47 2edr s ALA 70 N -2.12 -1.96 0.40 -1.18 0.00 -1.26 -0.87 121.76 114.76 2edr s ALA 70 Ca 0.47 2.34 0.28 0.00 0.00 0.00 0.00 51.96 55.05 2edr s ALA 70 Cb -0.01 -1.48 1.38 0.00 0.00 0.00 0.00 23.12 23.01 2edr s ALA 70 CO 0.66 -0.37 1.47 0.28 0.00 0.00 0.00 175.76 177.81 2edr n VAL 71 N 4.03 -0.27 -0.10 0.00 0.31 -1.26 0.19 118.33 121.22 2edr n VAL 71 Ca -0.19 1.75 -0.13 0.00 -0.01 0.00 0.00 64.34 65.76 2edr n VAL 71 Cb 0.58 -2.86 -0.04 0.00 -0.91 0.00 0.00 33.84 30.62 2edr n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2edr h ALA 72 N 1.59 0.43 -1.24 3.52 0.00 -1.95 -3.02 119.26 118.59 2edr h ALA 72 Ca 0.82 -0.36 0.36 0.00 0.00 0.00 0.00 54.91 55.73 2edr h ALA 72 Cb 2.55 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 20.15 2edr h ALA 72 CO -0.50 0.37 0.83 -0.44 0.00 0.00 0.00 179.25 179.50 2edr h ASP 73 N 0.41 0.25 -3.17 0.00 3.32 0.16 -3.41 116.42 113.98 2edr h ASP 73 Ca 0.06 0.08 -0.58 0.00 0.02 0.00 0.00 57.03 56.61 2edr h ASP 73 Cb 0.75 0.05 0.15 0.00 0.22 0.00 0.00 39.33 40.50 2edr h ASP 73 CO 0.06 -0.03 -0.03 0.00 -1.72 0.00 0.00 179.24 177.52 2edr n ALA 74 N -2.59 -0.27 0.00 3.45 0.00 -1.14 -4.73 120.51 115.23 2edr n ALA 74 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2edr n ALA 74 Cb 1.23 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.41 -1.47 3.15 0.00 0.00 -0.76 -5.00 105.19 102.51 2edr n GLY 75 Ca 0.12 0.58 0.05 0.00 0.00 0.00 0.00 46.02 46.77 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 0.26 0.14 1.61 2.12 -1.26 -3.40 118.70 118.16 2edr s GLU 76 Ca 0.00 0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.65 2edr s GLU 76 Cb 0.00 0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.55 2edr s GLU 76 CO 0.00 -0.33 0.46 0.71 -0.54 0.00 0.00 175.26 175.57 2edr s TYR 77 N 2.93 3.53 0.02 5.30 1.51 -0.95 0.60 117.35 130.29 2edr s TYR 77 Ca 0.07 0.82 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 2edr s TYR 77 Cb -0.10 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 2edr s TYR 77 CO -0.15 0.42 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.47 2edr s SER 78 N -2.02 1.41 -0.39 2.29 0.01 -0.41 -0.06 113.70 114.53 2edr s SER 78 Ca 0.39 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 2edr s SER 78 Cb -0.13 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.07 2edr s SER 78 CO 0.20 0.06 0.19 0.00 0.41 0.00 0.00 173.24 174.10 2edr s VAL 80 N 1.32 5.28 -0.15 0.00 1.01 -0.62 -2.84 120.40 124.41 2edr s VAL 80 Ca 0.03 0.26 0.12 0.00 0.00 0.00 0.00 61.98 62.38 2edr s VAL 80 Cb -0.22 -3.57 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 2edr s VAL 80 CO 0.00 0.23 0.03 0.00 0.00 0.00 0.00 175.10 175.35 2edr n GLY 82 N 2.17 -2.31 0.06 0.00 0.00 -1.26 -4.79 105.19 99.05 2edr n GLY 82 Ca -0.25 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.48 2edr n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2edr n GLU 83 N 0.00 1.73 -4.17 1.61 1.02 -1.26 -4.99 120.64 114.58 2edr n GLU 83 Ca 0.00 -0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 2edr n GLU 83 Cb 0.00 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2edr n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2edr s GLU 84 N -2.39 2.88 -0.12 3.49 2.02 -1.26 -5.11 118.70 118.20 2edr s GLU 84 Ca -0.06 -0.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 2edr s GLU 84 Cb 0.04 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.59 2edr s GLU 84 CO 0.53 0.62 0.27 0.50 0.02 0.00 0.00 175.26 177.19 2edr s ARG 85 N -1.81 0.21 -0.09 1.61 3.52 -1.26 -3.12 118.95 118.02 2edr s ARG 85 Ca 0.23 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 2edr s ARG 85 Cb -0.12 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 2edr s ARG 85 CO 0.14 -0.19 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.28 2edr s THR 86 N 1.55 3.60 0.15 4.11 -1.32 -1.13 -4.89 115.64 117.71 2edr s THR 86 Ca -0.07 -0.50 0.08 0.00 -1.21 0.00 0.00 61.69 59.98 2edr s THR 86 Cb -0.11 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 2edr s THR 86 CO -0.09 0.57 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.88 2edr s SER 87 N -0.50 4.41 -0.12 8.08 1.04 -1.26 -0.23 113.70 125.12 2edr s SER 87 Ca 0.07 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 2edr s SER 87 Cb -0.12 -0.82 0.06 0.00 0.10 0.00 0.00 66.02 65.24 2edr s SER 87 CO 0.02 0.13 0.23 0.00 0.98 0.00 0.00 173.24 174.60 2edr s ALA 88 N -1.53 -0.44 0.09 5.32 0.00 0.92 -4.66 121.76 121.46 2edr s ALA 88 Ca 0.24 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 2edr s ALA 88 Cb -0.10 -0.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.96 2edr s ALA 88 CO 0.15 -0.65 1.59 0.99 0.00 0.00 0.00 175.76 177.85 2edr s THR 89 N 2.38 3.01 -0.22 0.00 2.01 -1.26 -2.24 115.64 119.32 2edr s THR 89 Ca 0.02 0.56 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 2edr s THR 89 Cb -0.12 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2edr s THR 89 CO -0.08 0.01 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.60 2edr s LEU 90 N 2.11 2.89 -0.20 4.42 2.96 -1.22 -2.69 118.68 126.95 2edr s LEU 90 Ca 0.71 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 2edr s LEU 90 Cb -0.40 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2edr s LEU 90 CO 0.31 -0.02 0.10 -0.89 -1.32 0.00 0.00 176.35 174.54 2edr s THR 91 N 1.46 5.09 -0.01 3.68 2.01 -0.95 -1.83 115.64 125.09 2edr s THR 91 Ca 0.06 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2edr s THR 91 Cb -0.14 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2edr s THR 91 CO -0.03 0.43 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.60 2edr s VAL 92 N 0.50 3.88 0.31 3.82 1.01 -1.26 0.43 120.40 129.09 2edr s VAL 92 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2edr s VAL 92 Cb -0.12 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2edr s VAL 92 CO 0.00 0.42 0.35 0.29 0.00 0.00 0.00 175.10 176.15 2edr n LYS 93 N 1.58 0.90 -3.85 2.72 4.76 -0.64 -4.82 118.16 118.81 2edr n LYS 93 Ca -0.15 -1.80 -0.35 0.00 -2.87 0.00 0.00 58.31 53.14 2edr n LYS 93 Cb 0.53 0.02 -0.12 0.00 -1.84 0.00 0.00 35.03 33.61 2edr n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edr s ALA 94 N -2.41 3.11 0.39 7.82 0.00 -1.26 -1.30 121.76 128.12 2edr s ALA 94 Ca 0.26 -2.60 -0.25 0.00 0.00 0.00 0.00 51.96 49.37 2edr s ALA 94 Cb -0.02 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.69 2edr s ALA 94 CO 0.17 -1.79 1.07 1.47 0.00 0.00 0.00 175.76 176.68 2edr n LEU 95 N 4.40 2.77 -4.62 0.00 -0.00 -1.26 -4.87 117.00 113.43 2edr n LEU 95 Ca 0.00 1.08 -0.43 0.00 -0.00 0.00 0.00 56.01 56.67 2edr n LEU 95 Cb 0.41 -1.38 -0.03 0.00 -0.00 0.00 0.00 43.42 42.43 2edr n LEU 95 CO 0.30 -1.25 1.39 -2.16 -0.00 0.00 0.00 177.39 175.67 2edr s PRO 96 N -1.96 3.67 0.28 1.47 0.04 -1.26 -5.00 135.00 132.24 2edr s PRO 96 Ca 0.61 1.54 0.12 0.00 0.04 0.00 0.00 61.00 63.31 2edr s PRO 96 Cb -0.57 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 29.85 2edr s PRO 96 CO 0.58 -1.45 -0.20 -1.54 0.04 0.00 0.00 177.00 174.44 2edr s SER 97 N 4.63 3.55 0.00 6.66 1.04 -1.26 -5.08 113.70 123.23 2edr s SER 97 Ca 0.72 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2edr s SER 97 Cb -0.23 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2edr s SER 97 CO 0.30 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2edr n GLY 98 N -0.61 1.77 0.21 7.32 0.00 -1.26 -4.88 105.19 107.73 2edr n GLY 98 Ca -0.05 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 2edr n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edr h PRO 99 N 0.00 0.42 -6.41 1.61 0.13 -2.01 -3.44 132.00 122.30 2edr h PRO 99 Ca 0.00 -0.22 -0.62 0.00 -0.87 0.00 0.00 66.00 64.29 2edr h PRO 99 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.01 2edr h PRO 99 CO 0.00 0.79 -0.71 -1.12 -0.23 0.00 0.00 178.00 176.73 2edr s SER 100 N -6.87 4.39 0.39 1.44 0.01 -1.26 -5.11 113.70 106.68 2edr s SER 100 Ca -0.06 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.42 2edr s SER 100 Cb 0.13 -0.80 -0.09 0.00 0.21 0.00 0.00 66.02 65.47 2edr s SER 100 CO 0.81 0.10 1.05 -0.44 0.41 0.00 0.00 173.24 175.17 2edr s SER 101 N -2.86 6.80 0.00 2.44 0.01 -1.26 -5.07 113.70 113.76 2edr s SER 101 Ca 0.26 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2edr s SER 101 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2edr s SER 101 CO 0.16 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.96