#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 4.45 0.90 1.61 0.15 -1.26 -5.10 113.70 114.45 2edr s SER 2 Ca 0.00 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 55.82 2edr s SER 2 Cb 0.00 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.47 2edr s SER 2 CO 0.00 0.01 -0.02 -1.20 1.20 0.00 0.00 173.24 173.23 2edr n SER 3 N -0.85 -3.38 0.00 5.45 7.64 -1.26 -4.64 113.62 116.58 2edr n SER 3 Ca -0.06 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2edr n SER 3 Cb 0.59 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 2.26 0.39 3.47 0.23 0.00 -1.26 -4.97 105.19 105.31 2edr n GLY 4 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2edr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edr s SER 5 N -4.00 0.57 -0.25 1.61 0.01 -1.26 -5.09 113.70 105.28 2edr s SER 5 Ca 0.00 -1.33 -0.15 0.00 1.31 0.00 0.00 55.95 55.77 2edr s SER 5 Cb 0.00 0.60 -0.12 0.00 0.21 0.00 0.00 66.02 66.71 2edr s SER 5 CO 0.00 -1.19 -0.27 -0.24 0.41 0.00 0.00 173.24 171.95 2edr n SER 6 N -0.98 1.94 0.00 2.44 2.88 -1.26 -5.13 113.62 113.50 2edr n SER 6 Ca 0.01 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2edr n SER 6 Cb 0.62 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 1.31 0.62 3.22 0.46 0.00 -1.26 -5.09 105.19 104.45 2edr n GLY 7 Ca -0.46 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.11 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 -2.98 -2.48 1.61 -0.04 -1.26 -4.96 135.00 124.89 2edr n PRO 8 Ca 0.00 -1.61 -0.43 0.00 -0.04 0.00 0.00 63.50 61.43 2edr n PRO 8 Cb 0.00 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.93 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 3.57 -0.37 0.55 0.00 -1.26 -4.99 121.76 116.24 2edr s ALA 9 Ca 0.65 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 2edr s ALA 9 Cb -0.06 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2edr s ALA 9 CO 0.50 -0.93 0.85 -3.38 0.00 0.00 0.00 175.76 172.79 2edr s HIS 10 N 2.78 3.09 -0.45 0.00 -3.43 -1.26 -4.59 115.29 111.43 2edr s HIS 10 Ca 0.54 0.63 -0.42 0.00 -0.80 0.00 0.00 55.06 55.01 2edr s HIS 10 Cb -0.22 -3.53 -0.17 0.00 -1.43 0.00 0.00 32.58 27.23 2edr s HIS 10 CO 0.17 -0.79 2.07 1.19 -2.00 0.00 0.00 174.74 175.38 2edr n PHE 11 N 6.60 1.39 -0.06 0.38 3.72 -1.26 -2.79 117.46 125.44 2edr n PHE 11 Ca 0.05 0.67 -0.14 0.00 -0.05 0.00 0.00 57.45 57.98 2edr n PHE 11 Cb 0.48 -2.35 -0.14 0.00 -0.94 0.00 0.00 39.48 36.53 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 6.28 1.56 -2.95 4.37 -5.35 -1.15 -4.56 119.36 117.55 2edr n ILE 12 Ca 0.47 -0.73 -0.30 0.00 -0.27 0.00 0.00 62.75 61.92 2edr n ILE 12 Cb 0.03 -1.12 -0.03 0.00 -1.74 0.00 0.00 39.64 36.78 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 1.87 5.59 2.63 3.28 0.00 -1.21 -5.01 105.19 112.34 2edr n GLY 13 Ca -0.31 -2.75 -0.32 0.00 0.00 0.00 0.00 46.02 42.64 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 -0.02 0.00 -0.28 1.61 1.74 -1.26 -3.51 116.66 114.93 2edr n ARG 14 Ca 0.33 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.27 2edr n ARG 14 Cb 0.37 -0.82 0.14 0.00 -1.02 0.00 0.00 32.46 31.13 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 2.24 0.00 -3.64 0.55 4.77 -1.26 -4.90 117.00 114.77 2edr n LEU 15 Ca 0.05 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.51 2edr n LEU 15 Cb 0.40 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 2edr n LEU 15 CO 0.44 -2.23 -0.01 0.00 -1.33 0.00 0.00 177.39 174.27 2edr s ARG 16 N -3.49 0.29 -0.36 3.23 1.70 -1.26 -4.92 118.95 114.15 2edr s ARG 16 Ca 0.32 0.96 -0.32 0.00 -0.47 0.00 0.00 55.73 56.22 2edr s ARG 16 Cb -0.06 0.22 -0.14 0.00 -0.57 0.00 0.00 34.95 34.41 2edr s ARG 16 CO 0.27 -0.28 1.48 0.72 -1.08 0.00 0.00 175.30 176.42 2edr n HIS 17 N 5.38 0.90 -4.47 5.89 8.25 -1.26 -4.90 115.22 125.01 2edr n HIS 17 Ca -0.08 0.59 -0.31 0.00 -0.26 0.00 0.00 57.72 57.67 2edr n HIS 17 Cb 0.49 -1.64 -0.11 0.00 1.12 0.00 0.00 29.99 29.85 2edr n HIS 17 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2edr s GLN 18 N 4.01 2.15 -0.20 -0.41 -2.07 -1.14 -4.99 119.66 117.01 2edr s GLN 18 Ca 0.85 -0.96 -0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2edr s GLN 18 Cb -1.08 -2.27 0.01 0.00 -1.09 0.00 0.00 33.01 28.58 2edr s GLN 18 CO 0.49 0.54 -0.12 -2.00 -1.32 0.00 0.00 175.29 172.88 2edr s GLU 19 N -1.71 3.16 0.42 9.60 2.12 -1.26 -1.19 118.70 129.84 2edr s GLU 19 Ca 0.17 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.78 2edr s GLU 19 Cb -0.11 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.52 2edr s GLU 19 CO 0.08 -0.21 0.18 0.43 -0.54 0.00 0.00 175.26 175.20 2edr n SER 20 N 4.70 2.72 -4.65 -1.70 7.64 0.11 -4.96 113.62 117.48 2edr n SER 20 Ca -0.20 -2.63 -0.31 0.00 1.01 0.00 0.00 58.87 56.75 2edr n SER 20 Cb 0.50 0.11 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.30 3.86 0.24 0.44 -1.09 -1.26 -0.04 121.20 121.05 2edr s ILE 21 Ca 0.14 -0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 2edr s ILE 21 Cb -0.01 -2.80 -0.10 0.00 -1.58 0.00 0.00 42.46 37.97 2edr s ILE 21 CO 0.09 0.18 1.49 -0.70 -1.23 0.00 0.00 174.94 174.76 2edr s GLU 22 N -2.11 4.23 0.00 2.79 2.12 0.34 -2.24 118.70 123.84 2edr s GLU 22 Ca 0.23 2.36 0.00 0.00 0.36 0.00 0.00 54.97 57.92 2edr s GLU 22 Cb -0.11 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2edr s GLU 22 CO 0.15 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 2edr n GLY 23 N 2.42 2.83 1.76 -1.50 0.00 -0.65 -4.29 105.19 105.75 2edr n GLY 23 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.16 -1.53 -3.68 4.61 0.00 -0.95 -3.65 120.51 115.14 2edr n ALA 24 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 53.44 52.27 2edr n ALA 24 Cb 0.00 -0.05 -0.13 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 -2.06 3.16 0.47 0.00 2.01 -1.26 0.02 115.64 117.98 2edr s THR 25 Ca 0.35 -1.69 -0.23 0.00 0.31 0.00 0.00 61.69 60.43 2edr s THR 25 Cb -0.03 -2.99 -0.07 0.00 0.01 0.00 0.00 72.50 69.42 2edr s THR 25 CO 0.27 -0.39 1.20 0.00 -0.69 0.00 0.00 174.62 175.01 2edr s ALA 26 N 1.20 2.96 -0.17 7.40 0.00 -0.75 -4.83 121.76 127.58 2edr s ALA 26 Ca 0.02 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 2edr s ALA 26 Cb -0.21 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.56 2edr s ALA 26 CO -0.02 -0.77 0.09 0.99 0.00 0.00 0.00 175.76 176.05 2edr s THR 27 N -1.49 -0.09 0.36 0.00 2.01 -1.26 -1.25 115.64 113.92 2edr s THR 27 Ca 0.64 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.51 2edr s THR 27 Cb -0.31 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 2edr s THR 27 CO 0.37 -0.28 0.54 -0.76 -0.69 0.00 0.00 174.62 173.81 2edr s LEU 28 N 2.14 3.93 -0.14 4.42 1.43 0.23 -4.93 118.68 125.77 2edr s LEU 28 Ca 0.02 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 2edr s LEU 28 Cb -0.16 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.04 2edr s LEU 28 CO -0.09 -0.43 0.41 -0.60 0.23 0.00 0.00 176.35 175.87 2edr s ARG 29 N -4.31 0.52 0.33 1.70 3.52 -1.26 -2.33 118.95 117.12 2edr s ARG 29 Ca 0.43 0.48 -0.02 0.00 -0.13 0.00 0.00 55.73 56.50 2edr s ARG 29 Cb -0.10 0.25 -0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2edr s ARG 29 CO 0.34 -0.08 0.44 0.00 -0.81 0.00 0.00 175.30 175.19 2edr s GLU 31 N -3.19 0.57 0.06 0.00 2.12 -1.23 -2.96 118.70 114.08 2edr s GLU 31 Ca 0.32 -0.67 0.07 0.00 0.36 0.00 0.00 54.97 55.04 2edr s GLU 31 Cb 0.00 -0.42 -0.03 0.00 0.26 0.00 0.00 34.13 33.94 2edr s GLU 31 CO 0.20 0.09 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.33 2edr s LEU 32 N -1.29 2.22 0.64 2.70 1.43 -0.98 -2.95 118.68 120.45 2edr s LEU 32 Ca -0.06 -0.56 0.18 0.00 -1.03 0.00 0.00 54.13 52.66 2edr s LEU 32 Cb -0.08 -0.78 0.87 0.00 0.03 0.00 0.00 46.19 46.23 2edr s LEU 32 CO 0.01 0.06 1.45 -1.28 0.23 0.00 0.00 176.35 176.82 2edr h SER 33 N 4.58 0.00 -2.92 2.29 0.87 -1.77 -3.41 113.55 113.20 2edr h SER 33 Ca -0.42 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.29 2edr h SER 33 Cb 1.18 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.85 2edr h SER 33 CO 0.42 0.00 0.73 -1.59 -0.53 0.00 0.00 176.83 175.86 2edr s LYS 34 N -4.21 0.26 -0.45 2.24 -2.85 -1.26 -4.93 119.74 108.53 2edr s LYS 34 Ca -0.02 0.21 -0.40 0.00 -1.00 0.00 0.00 55.97 54.76 2edr s LYS 34 Cb 0.08 0.13 -0.17 0.00 -2.06 0.00 0.00 37.83 35.80 2edr s LYS 34 CO 0.26 -0.05 1.81 0.00 0.10 0.00 0.00 175.35 177.47 2edr n ALA 35 N 1.41 -0.12 -3.17 0.59 0.00 -1.26 -4.67 120.51 113.29 2edr n ALA 35 Ca -0.09 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2edr n ALA 35 Cb 0.57 -1.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 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 4.79 -0.86 0.26 0.00 0.00 -1.26 -4.83 121.76 119.85 2edr s ALA 36 Ca 1.05 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 2edr s ALA 36 Cb -1.35 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 2edr s ALA 36 CO 0.62 -0.35 1.26 -1.25 0.00 0.00 0.00 175.76 176.05 2edr s PRO 37 N -1.89 4.43 0.33 0.00 0.04 -1.26 -4.95 135.00 131.70 2edr s PRO 37 Ca -0.09 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.04 2edr s PRO 37 Cb -0.03 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2edr s PRO 37 CO 0.01 -0.13 0.15 0.14 0.04 0.00 0.00 177.00 177.21 2edr s VAL 38 N -0.59 0.44 -0.22 -0.36 -7.23 -1.26 -4.54 120.40 106.64 2edr s VAL 38 Ca 0.51 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2edr s VAL 38 Cb -0.37 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.18 2edr s VAL 38 CO 0.44 0.00 0.25 -0.70 -0.31 0.00 0.00 175.10 174.78 2edr s GLU 39 N -3.78 0.23 0.58 4.82 2.12 0.24 -4.95 118.70 117.96 2edr s GLU 39 Ca 0.33 0.17 -0.18 0.00 0.36 0.00 0.00 54.97 55.66 2edr s GLU 39 Cb 0.05 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.36 2edr s GLU 39 CO 0.17 -0.72 1.11 -1.58 -0.54 0.00 0.00 175.26 173.70 2edr s TRP 40 N 2.35 2.70 -0.04 5.30 0.52 -1.24 -1.55 118.94 126.99 2edr s TRP 40 Ca 0.08 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 57.73 2edr s TRP 40 Cb -0.15 -3.21 0.03 0.00 -1.15 0.00 0.00 33.47 28.98 2edr s TRP 40 CO -0.16 -1.53 0.06 1.03 0.02 0.00 0.00 176.95 176.37 2edr s ARG 41 N -3.61 -0.05 -0.85 4.98 0.52 0.27 0.17 118.95 120.39 2edr s ARG 41 Ca 0.70 0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 56.09 2edr s ARG 41 Cb -0.22 -0.37 0.22 0.00 0.52 0.00 0.00 34.95 35.11 2edr s ARG 41 CO 0.32 -0.25 0.79 0.21 0.02 0.00 0.00 175.30 176.38 2edr s LYS 42 N 1.67 3.62 -0.14 3.54 2.20 -1.16 -0.34 119.74 129.13 2edr s LYS 42 Ca -0.02 -2.53 -0.09 0.00 -0.36 0.00 0.00 55.97 52.97 2edr s LYS 42 Cb -0.12 -4.41 0.04 0.00 -1.51 0.00 0.00 37.83 31.82 2edr s LYS 42 CO -0.03 -1.28 0.19 0.41 -0.36 0.00 0.00 175.35 174.27 2edr n GLY 43 N 3.84 -3.87 3.17 5.54 0.00 -0.88 -3.30 105.19 109.69 2edr n GLY 43 Ca 0.15 1.35 -0.15 0.00 0.00 0.00 0.00 46.02 47.37 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 1.95 -2.18 -4.29 1.61 1.85 -1.26 -4.87 116.66 109.47 2edr n ARG 44 Ca -0.32 0.05 -0.16 0.00 -1.00 0.00 0.00 57.85 56.43 2edr n ARG 44 Cb 0.49 -4.50 -0.10 0.00 -1.05 0.00 0.00 32.46 27.30 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 -5.69 1.19 -0.21 2.89 2.12 -1.21 -5.14 118.70 112.65 2edr s GLU 45 Ca 0.29 -1.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.04 2edr s GLU 45 Cb -0.17 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.58 2edr s GLU 45 CO 0.35 0.01 -0.08 0.45 -0.54 0.00 0.00 175.26 175.45 2edr s SER 46 N -3.23 4.02 -0.28 -1.70 0.15 -1.26 -3.00 113.70 108.39 2edr s SER 46 Ca 0.22 -0.49 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 2edr s SER 46 Cb 0.04 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.64 2edr s SER 46 CO 0.04 -0.02 0.16 -0.76 1.20 0.00 0.00 173.24 173.86 2edr s LEU 47 N 1.42 3.93 0.09 3.45 1.43 0.13 -4.90 118.68 124.23 2edr s LEU 47 Ca 0.05 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2edr s LEU 47 Cb -0.14 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2edr s LEU 47 CO -0.06 -0.08 -0.11 0.00 0.23 0.00 0.00 176.35 176.34 2edr s ARG 48 N 1.70 0.82 0.07 1.70 1.70 -1.26 -3.65 118.95 120.03 2edr s ARG 48 Ca 0.07 -1.09 -0.31 0.00 -0.47 0.00 0.00 55.73 53.93 2edr s ARG 48 Cb -0.16 -0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 33.55 2edr s ARG 48 CO 0.09 0.10 1.80 0.34 -1.08 0.00 0.00 175.30 176.55 2edr s ASP 49 N -2.23 6.50 0.00 -2.89 2.15 -1.26 -4.53 116.67 114.41 2edr s ASP 49 Ca 0.03 2.61 0.00 0.00 0.43 0.00 0.00 52.55 55.62 2edr s ASP 49 Cb -0.05 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2edr s ASP 49 CO 0.01 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 2edr n GLY 50 N 4.24 2.04 0.00 2.66 0.00 -0.93 -4.99 105.19 108.20 2edr n GLY 50 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.08 1.61 2.03 -1.26 -4.57 116.55 114.27 2edr n ASP 51 Ca 0.00 0.93 -0.11 0.00 0.52 0.00 0.00 54.79 56.13 2edr n ASP 51 Cb 0.00 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 39.84 2edr n ASP 51 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2edr n ARG 52 N -1.91 0.82 -1.59 -0.67 -4.01 -1.26 -4.97 116.66 103.07 2edr n ARG 52 Ca 0.00 0.07 -0.57 0.00 -1.04 0.00 0.00 57.85 56.31 2edr n ARG 52 Cb 0.00 -1.35 -0.08 0.00 -3.04 0.00 0.00 32.46 27.99 2edr n ARG 52 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 2edr n HIS 53 N -2.87 1.82 -4.03 2.89 8.25 -1.26 -4.57 115.22 115.45 2edr n HIS 53 Ca -0.29 0.53 -0.34 0.00 -0.26 0.00 0.00 57.72 57.36 2edr n HIS 53 Cb 0.86 -2.45 -0.15 0.00 1.12 0.00 0.00 29.99 29.37 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 4.80 3.71 -0.52 0.41 0.15 -0.73 -2.20 113.70 119.33 2edr s SER 54 Ca 1.04 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.09 2edr s SER 54 Cb -1.09 -1.58 0.37 0.00 -1.71 0.00 0.00 66.02 62.01 2edr s SER 54 CO 0.62 -0.04 1.00 0.18 1.20 0.00 0.00 173.24 176.21 2edr n LEU 55 N 4.66 4.42 -4.77 3.45 7.99 -1.26 -0.32 117.00 131.17 2edr n LEU 55 Ca -0.19 -5.46 -0.40 0.00 -0.01 0.00 0.00 56.01 49.96 2edr n LEU 55 Cb 0.49 -0.47 -0.02 0.00 -0.11 0.00 0.00 43.42 43.31 2edr n LEU 55 CO 0.27 2.30 0.90 0.00 -1.51 0.00 0.00 177.39 179.34 2edr s ARG 56 N -3.47 4.23 0.05 3.23 1.70 -1.11 -4.78 118.95 118.80 2edr s ARG 56 Ca 0.48 2.01 0.08 0.00 -0.47 0.00 0.00 55.73 57.83 2edr s ARG 56 Cb 0.33 -2.90 -0.03 0.00 -0.57 0.00 0.00 34.95 31.78 2edr s ARG 56 CO -0.15 -0.22 -0.23 -0.65 -1.08 0.00 0.00 175.30 172.97 2edr s GLN 57 N -1.98 1.55 -0.47 3.89 -0.21 -1.26 -1.63 119.66 119.54 2edr s GLN 57 Ca 0.52 -1.02 0.08 0.00 0.02 0.00 0.00 55.36 54.96 2edr s GLN 57 Cb -0.35 -1.70 0.26 0.00 1.00 0.00 0.00 33.01 32.23 2edr s GLN 57 CO 0.45 0.43 0.62 -3.47 -2.12 0.00 0.00 175.29 171.21 2edr n ASP 58 N 1.79 1.42 -2.65 5.90 2.03 0.82 -4.98 116.55 120.88 2edr n ASP 58 Ca -0.17 -2.97 -0.04 0.00 0.52 0.00 0.00 54.79 52.13 2edr n ASP 58 Cb 0.53 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 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 1.09 -4.33 2.99 0.27 0.00 -1.26 -3.84 105.19 100.12 2edr n GLY 59 Ca 0.24 1.33 -0.18 0.00 0.00 0.00 0.00 46.02 47.41 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 1.89 -0.96 -3.39 4.61 0.00 -1.26 -4.80 120.51 116.61 2edr n ALA 60 Ca -0.31 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 2edr n ALA 60 Cb 0.48 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 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 -2.79 -0.52 0.01 0.00 1.01 -1.25 -2.31 120.40 114.55 2edr s VAL 61 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 2edr s VAL 61 Cb -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2edr s VAL 61 CO 0.30 -0.18 0.18 0.00 0.00 0.00 0.00 175.10 175.39 2edr s GLU 63 N -2.08 0.04 -0.26 0.00 2.02 -0.65 -1.40 118.70 116.38 2edr s GLU 63 Ca 0.29 0.47 -0.13 0.00 0.02 0.00 0.00 54.97 55.62 2edr s GLU 63 Cb -0.13 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.56 2edr s GLU 63 CO 0.21 -0.37 0.28 -1.17 0.02 0.00 0.00 175.26 174.22 2edr s LEU 64 N 2.28 4.05 -0.27 1.80 2.96 -0.99 -2.75 118.68 125.77 2edr s LEU 64 Ca 0.04 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2edr s LEU 64 Cb -0.13 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.32 2edr s LEU 64 CO -0.06 -0.09 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.27 2edr s GLN 65 N 1.74 2.71 -0.32 1.98 0.74 0.56 -0.60 119.66 126.48 2edr s GLN 65 Ca 0.11 -1.07 -0.04 0.00 0.05 0.00 0.00 55.36 54.41 2edr s GLN 65 Cb -0.15 -3.08 0.05 0.00 1.10 0.00 0.00 33.01 30.92 2edr s GLN 65 CO 0.09 -0.48 0.05 0.42 -0.55 0.00 0.00 175.29 174.82 2edr s ILE 66 N 1.31 3.34 0.56 -2.34 1.01 -0.38 -1.77 121.20 122.94 2edr s ILE 66 Ca -0.02 -1.28 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 2edr s ILE 66 Cb -0.18 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 2edr s ILE 66 CO -0.03 -0.14 1.00 0.00 0.00 0.00 0.00 174.94 175.77 2edr n GLY 68 N -2.18 -0.30 3.39 0.00 0.00 -1.17 -4.96 105.19 99.97 2edr n GLY 68 Ca 0.06 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.17 -1.26 -3.64 0.99 4.77 0.10 -4.73 117.00 110.07 2edr n LEU 69 Ca -0.17 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.73 2edr n LEU 69 Cb 0.62 -1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2edr n LEU 69 CO 0.45 -3.17 0.38 0.00 -1.33 0.00 0.00 177.39 173.72 2edr s ALA 70 N -2.35 -1.94 0.58 -1.18 0.00 -1.26 -1.64 121.76 113.97 2edr s ALA 70 Ca 0.61 2.40 0.39 0.00 0.00 0.00 0.00 51.96 55.35 2edr s ALA 70 Cb -0.18 -1.48 1.39 0.00 0.00 0.00 0.00 23.12 22.84 2edr s ALA 70 CO 0.65 -0.42 1.51 0.28 0.00 0.00 0.00 175.76 177.79 2edr h VAL 71 N 5.07 0.07 -0.02 0.00 2.07 -1.89 1.60 116.25 123.15 2edr h VAL 71 Ca -0.29 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 66.98 2edr h VAL 71 Cb 1.22 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2edr h VAL 71 CO 0.16 0.00 -0.98 0.00 0.02 0.00 0.00 177.57 176.77 2edr h ALA 72 N 0.89 0.23 -0.73 1.67 0.00 -1.96 -3.19 119.26 116.18 2edr h ALA 72 Ca 0.68 -0.69 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2edr h ALA 72 Cb 3.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.90 2edr h ALA 72 CO -0.01 0.73 0.50 -0.44 0.00 0.00 0.00 179.25 180.03 2edr h ASP 73 N 0.36 0.19 -2.79 0.00 3.32 0.19 -3.42 116.42 114.27 2edr h ASP 73 Ca -0.10 0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.37 2edr h ASP 73 Cb 1.62 -0.02 0.14 0.00 0.22 0.00 0.00 39.33 41.28 2edr h ASP 73 CO 0.19 0.09 -0.03 0.00 -1.72 0.00 0.00 179.24 177.76 2edr n ALA 74 N -2.60 -0.43 0.00 3.45 0.00 -1.18 -4.71 120.51 115.05 2edr n ALA 74 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2edr n ALA 74 Cb 0.66 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.40 -1.67 3.22 0.00 0.00 -1.02 -5.00 105.19 102.10 2edr n GLY 75 Ca 0.10 0.64 0.04 0.00 0.00 0.00 0.00 46.02 46.80 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 0.32 -0.08 1.61 2.12 -1.26 -3.55 118.70 117.85 2edr s GLU 76 Ca 0.00 0.63 -0.09 0.00 0.36 0.00 0.00 54.97 55.86 2edr s GLU 76 Cb 0.00 0.36 -0.05 0.00 0.26 0.00 0.00 34.13 34.70 2edr s GLU 76 CO 0.00 -0.29 0.22 0.71 -0.54 0.00 0.00 175.26 175.36 2edr s TYR 77 N 2.82 3.64 0.10 5.30 1.51 -1.00 -2.08 117.35 127.64 2edr s TYR 77 Ca 0.04 0.67 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 2edr s TYR 77 Cb -0.11 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2edr s TYR 77 CO -0.15 0.70 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.68 2edr s SER 78 N -1.02 2.38 -0.28 2.29 0.01 0.54 -0.28 113.70 117.33 2edr s SER 78 Ca 0.18 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2edr s SER 78 Cb -0.13 -0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.04 2edr s SER 78 CO 0.07 0.03 -0.07 0.00 0.41 0.00 0.00 173.24 173.67 2edr s VAL 80 N 1.07 5.22 -0.12 0.00 1.01 -0.59 -2.86 120.40 124.13 2edr s VAL 80 Ca -0.05 0.57 0.12 0.00 0.00 0.00 0.00 61.98 62.62 2edr s VAL 80 Cb -0.20 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 2edr s VAL 80 CO -0.06 0.24 0.05 0.00 0.00 0.00 0.00 175.10 175.34 2edr n GLY 82 N 2.19 -2.27 0.11 0.00 0.00 -1.26 -4.71 105.19 99.24 2edr n GLY 82 Ca -0.20 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 0.68 -4.10 1.61 1.02 -1.26 -4.98 120.64 113.60 2edr n GLU 83 Ca 0.00 0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 57.03 2edr n GLU 83 Cb 0.00 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 29.79 2edr n GLU 83 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2edr s GLU 84 N -2.52 2.67 -0.17 3.49 1.03 -1.26 -5.14 118.70 116.80 2edr s GLU 84 Ca -0.17 -1.25 -0.26 0.00 0.03 0.00 0.00 54.97 53.32 2edr s GLU 84 Cb 0.07 -2.40 0.07 0.00 -0.80 0.00 0.00 34.13 31.07 2edr s GLU 84 CO 0.76 0.30 0.66 0.50 -1.33 0.00 0.00 175.26 176.15 2edr s ARG 85 N -3.83 0.89 0.07 -4.83 3.52 -1.26 -3.17 118.95 110.34 2edr s ARG 85 Ca 0.35 0.64 0.09 0.00 -0.13 0.00 0.00 55.73 56.68 2edr s ARG 85 Cb -0.06 0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 2edr s ARG 85 CO 0.24 -0.18 -0.24 -0.08 -0.81 0.00 0.00 175.30 174.23 2edr s THR 86 N -0.28 2.41 0.06 4.11 -1.32 -1.13 -4.93 115.64 114.56 2edr s THR 86 Ca -0.05 -1.45 0.07 0.00 -1.21 0.00 0.00 61.69 59.06 2edr s THR 86 Cb -0.03 -2.01 -0.03 0.00 -1.51 0.00 0.00 72.50 68.92 2edr s THR 86 CO 0.04 0.26 -0.20 -0.44 -2.21 0.00 0.00 174.62 172.08 2edr s SER 87 N -1.60 2.36 -0.07 8.08 0.01 -1.26 -0.27 113.70 120.95 2edr s SER 87 Ca 0.14 -0.56 -0.03 0.00 1.31 0.00 0.00 55.95 56.81 2edr s SER 87 Cb -0.10 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.00 2edr s SER 87 CO 0.05 0.11 0.12 0.00 0.41 0.00 0.00 173.24 173.93 2edr s ALA 88 N -0.91 0.03 0.11 1.44 0.00 0.61 -4.72 121.76 118.31 2edr s ALA 88 Ca 0.06 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 2edr s ALA 88 Cb -0.09 -0.76 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 2edr s ALA 88 CO 0.02 -0.59 1.75 0.99 0.00 0.00 0.00 175.76 177.94 2edr s THR 89 N 2.24 2.71 -0.22 0.00 2.01 -1.26 -2.38 115.64 118.74 2edr s THR 89 Ca 0.04 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 2edr s THR 89 Cb -0.12 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2edr s THR 89 CO -0.05 0.00 0.08 -0.22 -0.69 0.00 0.00 174.62 173.74 2edr s LEU 90 N 2.60 3.69 -0.22 4.42 2.96 -1.23 -2.86 118.68 128.04 2edr s LEU 90 Ca 0.78 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2edr s LEU 90 Cb -0.44 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2edr s LEU 90 CO 0.34 0.07 0.05 -0.89 -1.32 0.00 0.00 176.35 174.60 2edr s THR 91 N 1.00 4.36 -0.12 3.68 2.01 -0.33 -2.43 115.64 123.82 2edr s THR 91 Ca 0.04 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 2edr s THR 91 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2edr s THR 91 CO 0.03 0.39 0.10 -0.69 -0.69 0.00 0.00 174.62 173.76 2edr s VAL 92 N 1.10 5.13 0.33 3.82 1.01 -1.26 0.04 120.40 130.57 2edr s VAL 92 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2edr s VAL 92 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2edr s VAL 92 CO 0.03 0.60 0.33 -0.54 0.00 0.00 0.00 175.10 175.51 2edr s LYS 93 N -0.82 2.85 -0.37 2.72 -0.14 0.95 -4.86 119.74 120.07 2edr s LYS 93 Ca 0.13 -1.20 -0.18 0.00 -1.36 0.00 0.00 55.97 53.36 2edr s LYS 93 Cb -0.12 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 2edr s LYS 93 CO 0.03 0.11 0.51 0.00 -0.76 0.00 0.00 175.35 175.24 2edr s ALA 94 N -2.26 3.46 0.46 5.17 0.00 -1.26 0.13 121.76 127.46 2edr s ALA 94 Ca 0.41 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 2edr s ALA 94 Cb -0.07 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 2edr s ALA 94 CO 0.28 -1.31 1.36 -0.48 0.00 0.00 0.00 175.76 175.61 2edr s LEU 95 N 2.38 4.08 -0.81 0.00 0.05 -1.26 -4.87 118.68 118.25 2edr s LEU 95 Ca 0.18 2.78 -0.25 0.00 0.05 0.00 0.00 54.13 56.88 2edr s LEU 95 Cb -0.16 -4.02 -0.04 0.00 -2.05 0.00 0.00 46.19 39.93 2edr s LEU 95 CO 0.14 -1.16 1.92 -2.16 -0.55 0.00 0.00 176.35 174.54 2edr s PRO 96 N -2.51 2.58 -0.42 1.48 0.04 -1.26 -4.83 135.00 130.08 2edr s PRO 96 Ca 0.62 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 2edr s PRO 96 Cb -0.40 -4.86 0.24 0.00 0.04 0.00 0.00 34.50 29.52 2edr s PRO 96 CO 0.51 -3.18 2.13 0.45 0.04 0.00 0.00 177.00 176.95 2edr n SER 97 N 13.60 6.75 -4.71 6.66 2.88 -1.26 -4.92 113.62 132.61 2edr n SER 97 Ca 0.34 -3.25 -0.35 0.00 -1.33 0.00 0.00 58.87 54.28 2edr n SER 97 Cb 0.48 -1.07 -0.09 0.00 -0.75 0.00 0.00 64.21 62.79 2edr n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2edr s GLY 98 N -0.23 1.97 -0.05 0.46 0.00 -1.26 -5.07 107.32 103.14 2edr s GLY 98 Ca 0.42 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.12 2edr s GLY 98 CO -0.05 -0.21 1.48 2.56 0.00 0.00 0.00 173.10 176.89 2edr s PRO 99 N -0.30 4.23 0.78 2.90 0.04 -1.26 -4.97 135.00 136.41 2edr s PRO 99 Ca 0.09 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 2edr s PRO 99 Cb -0.12 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.63 2edr s PRO 99 CO 0.02 -0.71 0.39 0.43 0.04 0.00 0.00 177.00 177.17 2edr n SER 100 N 6.25 -1.80 -4.78 6.66 7.64 -1.26 -4.98 113.62 121.34 2edr n SER 100 Ca 0.15 0.51 -0.33 0.00 1.01 0.00 0.00 58.87 60.21 2edr n SER 100 Cb 0.43 -1.17 -0.07 0.00 -1.01 0.00 0.00 64.21 62.39 2edr n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edr s SER 101 N -1.54 5.70 0.00 6.43 1.04 -1.26 -5.32 113.70 118.75 2edr s SER 101 Ca 0.62 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2edr s SER 101 Cb -0.31 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2edr s SER 101 CO 0.62 0.29 0.25 0.61 0.98 0.00 0.00 173.24 175.98