#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 n SER 2 N 0.00 -3.93 -4.88 1.61 2.88 -1.26 -5.02 113.62 103.02 1wh9 n SER 2 Ca 0.00 -0.69 -0.33 0.00 -1.33 0.00 0.00 58.87 56.52 1wh9 n SER 2 Cb 0.00 -4.50 -0.05 0.00 -0.75 0.00 0.00 64.21 58.90 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh9 s SER 3 N -3.75 6.23 0.00 -3.46 1.04 -1.26 -5.10 113.70 107.40 1wh9 s SER 3 Ca 0.37 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wh9 s SER 3 Cb -0.17 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1wh9 s SER 3 CO 0.78 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.88 1wh9 n GLY 4 N 1.06 2.26 3.56 7.32 0.00 -1.26 -5.03 105.19 113.10 1wh9 n GLY 4 Ca -0.12 -0.70 -0.54 0.00 0.00 0.00 0.00 46.02 44.67 1wh9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 5 N 0.00 2.30 -3.53 1.61 7.64 -1.26 -4.98 113.62 115.40 1wh9 n SER 5 Ca 0.00 0.74 -0.31 0.00 1.01 0.00 0.00 58.87 60.32 1wh9 n SER 5 Cb 0.00 -1.21 0.26 0.00 -1.01 0.00 0.00 64.21 62.26 1wh9 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh9 s SER 6 N 5.46 0.04 0.00 6.43 0.01 -1.26 -4.87 113.70 119.50 1wh9 s SER 6 Ca 1.04 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1wh9 s SER 6 Cb -0.96 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1wh9 s SER 6 CO 0.57 -4.66 0.00 0.61 0.41 0.00 0.00 173.24 170.17 1wh9 n GLY 7 N -0.27 1.04 0.33 3.44 0.00 -1.26 -4.88 105.19 103.58 1wh9 n GLY 7 Ca 0.15 -0.66 0.26 0.00 0.00 0.00 0.00 46.02 45.77 1wh9 n GLY 7 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wh9 h PHE 8 N 0.00 0.54 -0.73 1.61 3.57 -1.99 0.27 116.94 120.21 1wh9 h PHE 8 Ca 0.00 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1wh9 h PHE 8 Cb 0.00 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1wh9 h PHE 8 CO 0.00 -0.46 0.43 -0.22 -2.23 0.00 0.00 178.31 175.83 1wh9 h LYS 9 N 0.01 0.79 0.46 1.11 1.63 -1.91 -0.44 116.57 118.21 1wh9 h LYS 9 Ca 0.77 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.50 1wh9 h LYS 9 Cb 1.91 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1wh9 h LYS 9 CO -0.82 0.52 -0.22 0.00 -3.45 0.00 0.00 179.45 175.48 1wh9 h ALA 10 N 1.35 -0.62 -0.95 5.00 0.00 -1.35 -0.60 119.26 122.10 1wh9 h ALA 10 Ca 0.32 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.29 1wh9 h ALA 10 Cb 0.14 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 1wh9 h ALA 10 CO -0.16 -0.76 0.49 0.93 0.00 0.00 0.00 179.25 179.75 1wh9 h GLU 11 N -0.78 0.45 0.06 0.00 4.39 -1.32 0.24 114.58 117.62 1wh9 h GLU 11 Ca -0.06 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 1wh9 h GLU 11 Cb 0.55 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1wh9 h GLU 11 CO 0.10 0.30 -0.53 1.25 -1.16 0.00 0.00 179.01 178.97 1wh9 h LEU 12 N 0.46 0.36 0.27 1.33 5.85 -1.06 -2.85 115.31 119.67 1wh9 h LEU 12 Ca 0.61 -0.88 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wh9 h LEU 12 Cb 1.20 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1wh9 h LEU 12 CO -0.52 1.21 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.46 1wh9 h ASN 13 N -0.44 -0.53 -0.49 1.25 -1.24 0.02 -1.32 115.58 112.83 1wh9 h ASN 13 Ca -0.08 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 1wh9 h ASN 13 Cb 1.34 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 40.54 1wh9 h ASN 13 CO 0.10 -0.32 0.20 1.05 -1.29 0.00 0.00 177.43 177.17 1wh9 h GLU 14 N -0.48 0.73 -0.16 6.67 4.11 -0.71 0.26 114.58 125.00 1wh9 h GLU 14 Ca -0.02 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.31 1wh9 h GLU 14 Cb 0.42 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1wh9 h GLU 14 CO -0.00 0.65 -0.47 0.35 0.07 0.00 0.00 179.01 179.60 1wh9 h PHE 15 N 0.65 -1.41 -0.51 2.06 3.57 -1.50 -2.60 116.94 117.19 1wh9 h PHE 15 Ca 0.16 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1wh9 h PHE 15 Cb 0.19 0.64 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1wh9 h PHE 15 CO 0.00 -0.46 0.23 -0.07 -2.23 0.00 0.00 178.31 175.79 1wh9 h LEU 16 N -0.47 0.64 -2.01 0.59 3.38 -0.78 -0.89 115.31 115.78 1wh9 h LEU 16 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wh9 h LEU 16 Cb 0.57 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wh9 h LEU 16 CO -0.40 0.56 -0.03 0.74 0.09 0.00 0.00 178.44 179.39 1wh9 h THR 17 N 0.72 0.93 0.00 0.22 2.02 -0.14 -0.86 112.91 115.80 1wh9 h THR 17 Ca 0.18 -0.12 -0.30 0.00 0.77 0.00 0.00 66.41 66.94 1wh9 h THR 17 Cb 0.09 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1wh9 h THR 17 CO -0.02 0.03 -1.74 -1.14 0.37 0.00 0.00 175.52 173.02 1wh9 n ARG 18 N -4.37 0.64 0.20 6.66 0.63 -0.83 -3.61 116.66 115.98 1wh9 n ARG 18 Ca -0.03 0.29 0.09 0.00 -0.92 0.00 0.00 57.85 57.28 1wh9 n ARG 18 Cb 0.12 -1.78 0.24 0.00 0.45 0.00 0.00 32.46 31.48 1wh9 n ARG 18 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wh9 h GLU 19 N 0.00 0.00 0.00 -0.14 4.39 -0.39 -3.36 114.58 115.08 1wh9 h GLU 19 Ca -0.30 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 1wh9 h GLU 19 Cb 2.02 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.56 1wh9 h GLU 19 CO 0.08 0.20 -0.57 1.28 -1.16 0.00 0.00 179.01 178.84 1wh9 n LEU 20 N -3.19 0.97 0.20 1.33 4.77 -0.40 -4.92 117.00 115.74 1wh9 n LEU 20 Ca 0.02 -1.95 -0.15 0.00 -0.03 0.00 0.00 56.01 53.91 1wh9 n LEU 20 Cb 0.55 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1wh9 n LEU 20 CO 0.35 0.52 0.67 0.00 -1.33 0.00 0.00 177.39 177.60 1wh9 h ALA 21 N 0.39 -0.62 -0.05 -1.18 0.00 -1.72 -2.24 119.26 113.84 1wh9 h ALA 21 Ca -0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1wh9 h ALA 21 Cb 1.43 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1wh9 h ALA 21 CO 0.03 -0.88 -0.58 0.93 0.00 0.00 0.00 179.25 178.75 1wh9 h GLU 22 N -0.62 0.16 -0.59 0.00 5.08 -1.91 -3.19 114.58 113.50 1wh9 h GLU 22 Ca -0.01 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1wh9 h GLU 22 Cb 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1wh9 h GLU 22 CO -0.06 0.69 0.39 -0.44 -1.00 0.00 0.00 179.01 178.59 1wh9 h ASP 23 N 0.12 0.67 0.00 1.42 3.32 -1.87 -3.46 116.42 116.61 1wh9 h ASP 23 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1wh9 h ASP 23 Cb 1.05 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1wh9 h ASP 23 CO 0.08 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 1wh9 n GLY 24 N -1.26 0.65 3.74 2.75 0.00 -0.89 -4.44 105.19 105.74 1wh9 n GLY 24 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1wh9 n GLY 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wh9 s TYR 25 N -0.65 2.22 0.00 1.61 5.04 -0.90 -1.73 117.35 122.93 1wh9 s TYR 25 Ca 0.00 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1wh9 s TYR 25 Cb 0.00 -3.70 0.00 0.00 0.35 0.00 0.00 41.96 38.61 1wh9 s TYR 25 CO 0.00 -2.79 0.00 0.43 -1.34 0.00 0.00 175.55 171.85 1wh9 n SER 26 N -1.49 1.67 0.00 4.32 7.64 -0.48 -4.89 113.62 120.38 1wh9 n SER 26 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wh9 n SER 26 Cb 0.47 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1wh9 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 27 N 1.38 -1.33 3.13 0.23 0.00 -0.78 -5.03 105.19 102.80 1wh9 n GLY 27 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1wh9 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh9 s VAL 28 N -2.95 0.10 -0.24 1.61 0.11 -1.26 -0.55 120.40 117.21 1wh9 s VAL 28 Ca 0.00 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 1wh9 s VAL 28 Cb 0.00 -0.66 0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1wh9 s VAL 28 CO 0.00 -0.46 -0.03 -1.61 -3.33 0.00 0.00 175.10 169.67 1wh9 s GLU 29 N -1.95 1.46 0.17 1.54 2.02 0.14 -4.93 118.70 117.16 1wh9 s GLU 29 Ca -0.10 -0.98 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 1wh9 s GLU 29 Cb -0.04 -2.53 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 1wh9 s GLU 29 CO -0.01 -0.64 0.55 0.54 0.02 0.00 0.00 175.26 175.71 1wh9 s VAL 30 N 1.43 4.88 0.07 2.63 0.11 -1.26 -0.94 120.40 127.32 1wh9 s VAL 30 Ca -0.04 0.71 0.04 0.00 -2.93 0.00 0.00 61.98 59.77 1wh9 s VAL 30 Cb -0.19 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1wh9 s VAL 30 CO -0.08 0.14 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.58 1wh9 s ARG 31 N -2.23 0.76 -0.12 1.54 0.52 -0.42 -4.98 118.95 114.02 1wh9 s ARG 31 Ca 0.41 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1wh9 s ARG 31 Cb -0.14 -0.70 0.02 0.00 0.52 0.00 0.00 34.95 34.65 1wh9 s ARG 31 CO 0.20 0.15 -0.11 0.08 0.02 0.00 0.00 175.30 175.64 1wh9 s VAL 32 N -1.36 1.26 0.48 3.52 1.01 -1.26 -1.13 120.40 122.92 1wh9 s VAL 32 Ca -0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1wh9 s VAL 32 Cb -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1wh9 s VAL 32 CO 0.02 0.40 0.01 0.42 0.00 0.00 0.00 175.10 175.95 1wh9 s THR 33 N 1.46 1.27 -2.00 3.92 -4.23 -1.26 -5.03 115.64 109.77 1wh9 s THR 33 Ca 0.02 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.71 1wh9 s THR 33 Cb -0.13 -2.33 0.53 0.00 1.34 0.00 0.00 72.50 71.91 1wh9 s THR 33 CO -0.07 0.00 1.70 -0.81 -0.54 0.00 0.00 174.62 174.90 1wh9 n PRO 34 N -1.18 0.97 0.05 3.99 -0.04 -1.26 -4.54 135.00 133.00 1wh9 n PRO 34 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wh9 n PRO 34 Cb 0.67 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1wh9 n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wh9 n THR 35 N -0.80 0.98 -3.63 0.52 -2.24 -1.26 -5.11 114.28 102.73 1wh9 n THR 35 Ca 0.14 0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1wh9 n THR 35 Cb 0.06 -1.50 -0.07 0.00 -2.10 0.00 0.00 70.33 66.73 1wh9 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh9 s ARG 36 N -2.00 0.75 0.47 -0.78 1.70 -1.26 -4.81 118.95 113.02 1wh9 s ARG 36 Ca 0.00 0.96 -0.24 0.00 -0.47 0.00 0.00 55.73 55.98 1wh9 s ARG 36 Cb 0.00 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 1wh9 s ARG 36 CO 0.00 -0.10 1.34 2.41 -1.08 0.00 0.00 175.30 177.86 1wh9 n THR 37 N 2.89 3.03 -4.47 4.99 -1.04 -0.27 -4.32 114.28 115.09 1wh9 n THR 37 Ca -0.15 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.05 1wh9 n THR 37 Cb 0.56 -1.67 -0.11 0.00 -1.82 0.00 0.00 70.33 67.29 1wh9 n THR 37 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1wh9 s GLU 38 N -2.49 2.21 -0.08 -2.82 2.02 -0.28 -1.13 118.70 116.13 1wh9 s GLU 38 Ca 0.64 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 54.68 1wh9 s GLU 38 Cb -0.46 -2.31 0.04 0.00 0.10 0.00 0.00 34.13 31.50 1wh9 s GLU 38 CO 0.55 0.55 0.06 0.42 0.02 0.00 0.00 175.26 176.86 1wh9 s ILE 39 N -1.04 -0.08 -0.26 -1.63 1.01 -0.75 -1.30 121.20 117.15 1wh9 s ILE 39 Ca 0.17 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 1wh9 s ILE 39 Cb -0.11 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1wh9 s ILE 39 CO 0.08 0.06 -0.05 -0.63 0.00 0.00 0.00 174.94 174.41 1wh9 s ILE 40 N 2.15 2.87 -0.29 2.92 1.09 -0.12 -0.52 121.20 129.30 1wh9 s ILE 40 Ca 0.04 -1.16 -0.27 0.00 -1.10 0.00 0.00 60.65 58.17 1wh9 s ILE 40 Cb -0.13 -2.53 0.01 0.00 -1.06 0.00 0.00 42.46 38.75 1wh9 s ILE 40 CO -0.05 0.10 0.94 -0.63 -0.10 0.00 0.00 174.94 175.21 1wh9 s ILE 41 N 1.29 4.67 -0.44 2.92 1.09 -0.24 -0.68 121.20 129.82 1wh9 s ILE 41 Ca -0.02 1.60 -0.22 0.00 -1.10 0.00 0.00 60.65 60.91 1wh9 s ILE 41 Cb -0.18 -4.27 0.02 0.00 -1.06 0.00 0.00 42.46 36.98 1wh9 s ILE 41 CO -0.03 -0.30 0.73 -0.76 -0.10 0.00 0.00 174.94 174.48 1wh9 s LEU 42 N 3.24 4.34 0.17 2.97 1.43 0.29 -0.89 118.68 130.22 1wh9 s LEU 42 Ca 0.40 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1wh9 s LEU 42 Cb -0.14 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 1wh9 s LEU 42 CO 0.12 -0.84 0.10 0.00 0.23 0.00 0.00 176.35 175.95 1wh9 s ALA 43 N 3.08 1.06 0.26 4.21 0.00 -0.95 -1.39 121.76 128.04 1wh9 s ALA 43 Ca 0.27 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 1wh9 s ALA 43 Cb -0.13 1.18 0.34 0.00 0.00 0.00 0.00 23.12 24.51 1wh9 s ALA 43 CO 0.21 -0.55 1.71 1.79 0.00 0.00 0.00 175.76 178.92 1wh9 h THR 44 N 2.71 1.26 -2.99 0.00 1.35 -1.64 -0.12 112.91 113.49 1wh9 h THR 44 Ca -0.36 -1.19 -0.62 0.00 -0.55 0.00 0.00 66.41 63.69 1wh9 h THR 44 Cb 1.23 1.18 -0.42 0.00 -1.73 0.00 0.00 68.15 68.41 1wh9 h THR 44 CO 0.55 0.39 -0.58 0.54 -0.25 0.00 0.00 175.52 176.17 1wh9 n ARG 45 N -4.15 1.85 -0.26 4.72 1.74 -1.26 -4.61 116.66 114.69 1wh9 n ARG 45 Ca 0.01 -4.47 0.04 0.00 -0.77 0.00 0.00 57.85 52.65 1wh9 n ARG 45 Cb 0.38 -2.27 0.14 0.00 -1.02 0.00 0.00 32.46 29.69 1wh9 n ARG 45 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1wh9 h THR 46 N 4.28 0.29 0.00 0.55 1.35 -1.83 -0.65 112.91 116.90 1wh9 h THR 46 Ca 0.16 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 65.95 1wh9 h THR 46 Cb 0.75 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1wh9 h THR 46 CO 0.72 0.01 -0.20 -0.61 -0.25 0.00 0.00 175.52 175.19 1wh9 h GLN 47 N 0.06 0.00 -0.20 4.72 4.15 -1.95 0.61 115.11 122.49 1wh9 h GLN 47 Ca 0.40 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.72 1wh9 h GLN 47 Cb 0.68 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1wh9 h GLN 47 CO -0.72 0.20 -0.28 -0.91 -1.93 0.00 0.00 178.83 175.19 1wh9 h ASN 48 N 0.00 0.60 -0.34 -0.69 4.21 -1.48 0.97 115.58 118.85 1wh9 h ASN 48 Ca -0.00 -0.51 -0.06 0.00 1.21 0.00 0.00 56.30 56.94 1wh9 h ASN 48 Cb 0.43 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 1wh9 h ASN 48 CO 0.03 0.99 0.03 0.58 -1.29 0.00 0.00 177.43 177.77 1wh9 h VAL 49 N 0.22 1.22 -0.23 2.81 2.07 -1.04 -2.25 116.25 119.04 1wh9 h VAL 49 Ca 0.02 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1wh9 h VAL 49 Cb 0.86 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1wh9 h VAL 49 CO 0.07 0.30 -0.18 -0.07 0.02 0.00 0.00 177.57 177.71 1wh9 h LEU 50 N 0.64 0.56 0.00 2.57 3.38 -0.85 -2.02 115.31 119.59 1wh9 h LEU 50 Ca 0.14 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.74 1wh9 h LEU 50 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1wh9 h LEU 50 CO 0.01 0.89 -0.12 0.61 0.09 0.00 0.00 178.44 179.93 1wh9 n GLY 51 N 0.11 -2.05 3.68 0.83 0.00 0.33 -1.09 105.19 106.99 1wh9 n GLY 51 Ca -0.05 -1.39 -0.48 0.00 0.00 0.00 0.00 46.02 44.10 1wh9 n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wh9 n GLU 52 N -1.64 2.10 -4.17 1.61 2.13 -1.26 -2.93 120.64 116.48 1wh9 n GLU 52 Ca 0.00 0.77 -0.36 0.00 0.66 0.00 0.00 57.16 58.23 1wh9 n GLU 52 Cb 0.15 -2.57 -0.02 0.00 0.27 0.00 0.00 31.44 29.26 1wh9 n GLU 52 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wh9 n LYS 53 N 5.38 -3.17 -2.24 5.31 4.76 -1.26 -0.68 118.16 126.27 1wh9 n LYS 53 Ca 0.21 0.37 -0.12 0.00 -2.87 0.00 0.00 58.31 55.90 1wh9 n LYS 53 Cb 0.28 -5.11 -0.00 0.00 -1.84 0.00 0.00 35.03 28.36 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wh9 n GLY 54 N -1.36 -0.11 0.15 0.72 0.00 -1.15 -4.99 105.19 98.45 1wh9 n GLY 54 Ca 0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1wh9 n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wh9 h ARG 55 N -0.02 -0.31 -0.55 1.61 2.47 0.37 -2.73 114.38 115.22 1wh9 h ARG 55 Ca -0.28 0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.40 1wh9 h ARG 55 Cb 1.21 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.57 1wh9 h ARG 55 CO 0.33 -0.21 0.10 0.00 0.56 0.00 0.00 179.97 180.75 1wh9 h ARG 56 N -0.33 0.86 0.51 0.04 -0.00 -1.28 -1.35 114.38 112.83 1wh9 h ARG 56 Ca -0.03 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.98 59.24 1wh9 h ARG 56 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 1wh9 h ARG 56 CO 0.01 0.80 -0.36 0.97 0.00 0.00 0.00 179.97 181.39 1wh9 h ILE 57 N 0.82 0.27 -0.71 2.04 2.10 -1.15 -0.42 117.51 120.46 1wh9 h ILE 57 Ca 0.17 0.00 0.07 0.00 1.08 0.00 0.00 64.86 66.18 1wh9 h ILE 57 Cb 0.35 0.27 -0.06 0.00 -1.09 0.00 0.00 36.82 36.29 1wh9 h ILE 57 CO 0.01 0.00 0.40 -0.09 -1.08 0.00 0.00 178.15 177.38 1wh9 h ARG 58 N -0.84 0.70 0.81 2.19 2.43 -1.21 -1.44 114.38 117.01 1wh9 h ARG 58 Ca -0.06 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1wh9 h ARG 58 Cb 0.70 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1wh9 h ARG 58 CO 0.03 0.46 -0.43 0.93 -1.51 0.00 0.00 179.97 179.45 1wh9 h GLU 59 N 0.72 -1.10 0.00 0.20 4.39 -1.13 -2.99 114.58 114.67 1wh9 h GLU 59 Ca 0.33 0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1wh9 h GLU 59 Cb 0.23 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wh9 h GLU 59 CO -0.20 -0.73 -0.03 -0.07 -1.16 0.00 0.00 179.01 176.81 1wh9 h LEU 60 N -1.14 0.00 0.35 1.33 3.38 -0.64 0.12 115.31 118.71 1wh9 h LEU 60 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1wh9 h LEU 60 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1wh9 h LEU 60 CO 0.15 0.03 -0.27 0.74 0.09 0.00 0.00 178.44 179.19 1wh9 h THR 61 N 0.00 0.44 -0.47 0.22 2.02 -1.17 0.41 112.91 114.35 1wh9 h THR 61 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1wh9 h THR 61 Cb 0.10 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1wh9 h THR 61 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.18 1wh9 h ALA 62 N -0.05 0.60 0.33 6.16 0.00 -0.73 0.11 119.26 125.69 1wh9 h ALA 62 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wh9 h ALA 62 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1wh9 h ALA 62 CO -0.00 -0.03 -0.48 0.28 0.00 0.00 0.00 179.25 179.02 1wh9 h VAL 63 N 0.56 0.06 -0.91 0.00 2.07 -0.79 -1.39 116.25 115.85 1wh9 h VAL 63 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1wh9 h VAL 63 Cb 0.01 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 1wh9 h VAL 63 CO -0.09 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.61 1wh9 h VAL 64 N -0.86 1.26 -0.86 2.57 2.07 -0.74 0.19 116.25 119.88 1wh9 h VAL 64 Ca -0.03 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1wh9 h VAL 64 Cb 0.80 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1wh9 h VAL 64 CO -0.15 0.28 0.56 1.56 0.02 0.00 0.00 177.57 179.84 1wh9 h GLN 65 N 1.26 0.84 0.00 1.57 4.20 -0.44 0.30 115.11 122.85 1wh9 h GLN 65 Ca 0.32 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1wh9 h GLN 65 Cb -0.01 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1wh9 h GLN 65 CO -0.06 0.56 -0.06 0.87 -0.67 0.00 0.00 178.83 179.47 1wh9 h LYS 66 N 0.87 0.00 -0.99 1.46 1.57 -0.45 -1.05 116.57 117.98 1wh9 h LYS 66 Ca 0.39 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.34 1wh9 h LYS 66 Cb 0.36 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.58 1wh9 h LYS 66 CO -0.16 0.47 0.62 -0.09 -0.57 0.00 0.00 179.45 179.72 1wh9 h ARG 67 N -1.00 0.76 -0.01 3.15 1.12 -0.48 -2.22 114.38 115.70 1wh9 h ARG 67 Ca -0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1wh9 h ARG 67 Cb 0.50 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1wh9 h ARG 67 CO -0.01 0.50 -0.04 1.19 -3.11 0.00 0.00 179.97 178.51 1wh9 n PHE 68 N -4.70 0.00 -1.18 2.20 3.01 0.08 -5.02 117.46 111.85 1wh9 n PHE 68 Ca 0.22 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.62 1wh9 n PHE 68 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.98 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wh9 n GLY 69 N 0.47 0.84 3.73 1.37 0.00 -0.49 -4.99 105.19 106.12 1wh9 n GLY 69 Ca 0.03 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1wh9 n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wh9 n PHE 70 N -2.76 2.05 -1.95 1.61 3.72 -0.66 -4.97 117.46 114.51 1wh9 n PHE 70 Ca -0.06 0.43 -0.40 0.00 -0.05 0.00 0.00 57.45 57.37 1wh9 n PHE 70 Cb 0.23 -2.31 -0.00 0.00 -0.94 0.00 0.00 39.48 36.45 1wh9 n PHE 70 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1wh9 s PRO 71 N -3.01 4.05 0.37 -1.08 0.04 -1.26 -4.82 135.00 129.28 1wh9 s PRO 71 Ca 0.75 2.34 -0.27 0.00 0.04 0.00 0.00 61.00 63.86 1wh9 s PRO 71 Cb -0.41 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 1wh9 s PRO 71 CO 0.46 -0.49 1.30 -2.00 0.04 0.00 0.00 177.00 176.31 1wh9 s GLU 72 N -2.13 4.16 0.00 4.56 2.12 -1.26 -2.74 118.70 123.40 1wh9 s GLU 72 Ca 0.55 2.18 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1wh9 s GLU 72 Cb -0.42 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1wh9 s GLU 72 CO 0.55 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 1wh9 n GLY 73 N 0.72 2.67 0.00 -1.50 0.00 -1.26 -4.73 105.19 101.10 1wh9 n GLY 73 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wh9 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 74 N 0.00 1.85 -4.39 1.61 7.64 -1.17 -4.88 113.62 114.27 1wh9 n SER 74 Ca 0.00 -1.92 -0.25 0.00 1.01 0.00 0.00 58.87 57.71 1wh9 n SER 74 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wh9 n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wh9 s VAL 75 N -0.92 2.15 0.05 0.44 0.11 -1.11 -1.12 120.40 120.00 1wh9 s VAL 75 Ca 0.00 -2.03 -0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1wh9 s VAL 75 Cb 0.00 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1wh9 s VAL 75 CO 0.00 -0.23 -0.04 -1.61 -3.33 0.00 0.00 175.10 169.89 1wh9 s GLU 76 N -2.82 0.54 -0.03 1.54 0.41 -0.29 -4.88 118.70 113.17 1wh9 s GLU 76 Ca 0.20 -1.02 0.02 0.00 -0.41 0.00 0.00 54.97 53.76 1wh9 s GLU 76 Cb -0.07 0.11 0.01 0.00 -1.78 0.00 0.00 34.13 32.40 1wh9 s GLU 76 CO 0.09 -0.07 -0.09 -0.51 -0.49 0.00 0.00 175.26 174.18 1wh9 s LEU 77 N -2.42 1.75 0.15 1.80 1.02 -1.26 -1.82 118.68 117.90 1wh9 s LEU 77 Ca -0.00 -0.20 0.04 0.00 0.02 0.00 0.00 54.13 53.98 1wh9 s LEU 77 Cb 0.01 -0.59 -0.04 0.00 0.02 0.00 0.00 46.19 45.59 1wh9 s LEU 77 CO -0.06 0.06 -0.08 -0.31 0.02 0.00 0.00 176.35 175.98 1wh9 s TYR 78 N 0.28 1.23 -0.01 0.29 2.02 0.32 -4.96 117.35 116.51 1wh9 s TYR 78 Ca -0.05 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 55.88 1wh9 s TYR 78 Cb -0.10 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 1wh9 s TYR 78 CO 0.01 0.01 -0.15 0.00 -1.57 0.00 0.00 175.55 173.85 1wh9 s ALA 79 N -3.41 2.66 0.03 3.71 0.00 -1.26 -1.08 121.76 122.41 1wh9 s ALA 79 Ca 0.18 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1wh9 s ALA 79 Cb 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1wh9 s ALA 79 CO 0.01 0.57 0.03 -2.00 0.00 0.00 0.00 175.76 174.36 1wh9 s GLU 80 N -1.03 0.49 0.01 0.00 2.56 -0.07 -4.87 118.70 115.78 1wh9 s GLU 80 Ca 0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 54.97 54.32 1wh9 s GLU 80 Cb -0.11 0.18 -0.04 0.00 2.00 0.00 0.00 34.13 36.17 1wh9 s GLU 80 CO 0.03 -0.10 0.15 0.21 -0.56 0.00 0.00 175.26 174.99 1wh9 s LYS 81 N -2.38 3.29 0.21 4.30 2.20 -1.26 -2.23 119.74 123.88 1wh9 s LYS 81 Ca -0.07 -0.42 -0.07 0.00 -0.36 0.00 0.00 55.97 55.06 1wh9 s LYS 81 Cb -0.03 -2.99 -0.06 0.00 -1.51 0.00 0.00 37.83 33.24 1wh9 s LYS 81 CO -0.04 0.65 0.49 0.08 -0.36 0.00 0.00 175.35 176.17 1wh9 s VAL 82 N -1.32 5.04 0.22 4.02 1.01 -0.06 -4.80 120.40 124.51 1wh9 s VAL 82 Ca 0.27 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 1wh9 s VAL 82 Cb -0.12 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1wh9 s VAL 82 CO 0.19 -0.09 0.55 0.00 0.00 0.00 0.00 175.10 175.75 1wh9 s ALA 83 N -1.82 -0.83 -0.12 5.51 0.00 -1.26 -4.82 121.76 118.42 1wh9 s ALA 83 Ca 0.44 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1wh9 s ALA 83 Cb -0.11 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1wh9 s ALA 83 CO 0.24 -0.86 1.48 0.99 0.00 0.00 0.00 175.76 177.61 1wh9 s THR 84 N -3.92 3.89 0.00 0.00 2.01 -1.26 -4.93 115.64 111.43 1wh9 s THR 84 Ca 0.13 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1wh9 s THR 84 Cb -0.02 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1wh9 s THR 84 CO 0.02 -0.12 0.00 -1.14 -0.69 0.00 0.00 174.62 172.68 1wh9 n ARG 85 N 6.98 0.00 0.00 4.92 0.63 -1.26 -5.17 116.66 122.75 1wh9 n ARG 85 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1wh9 n ARG 85 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wh9 n GLY 86 N 3.63 -2.77 0.32 5.14 0.00 -1.26 -4.90 105.19 105.34 1wh9 n GLY 86 Ca 0.00 -2.14 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1wh9 n GLY 86 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wh9 h SER 87 N 0.00 -0.73 -6.35 1.61 0.87 -2.06 -3.47 113.55 103.41 1wh9 h SER 87 Ca 0.00 0.06 -0.35 0.00 -1.23 0.00 0.00 61.79 60.27 1wh9 h SER 87 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1wh9 h SER 87 CO 0.00 -0.42 -0.81 0.61 -0.53 0.00 0.00 176.83 175.68 1wh9 n GLY 88 N -1.41 -1.21 3.44 5.77 0.00 -1.26 -4.74 105.19 105.78 1wh9 n GLY 88 Ca -0.10 0.62 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 1wh9 n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh9 n PRO 89 N -2.21 0.86 -1.94 1.61 -0.04 -1.26 -4.93 135.00 127.10 1wh9 n PRO 89 Ca -0.22 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.04 1wh9 n PRO 89 Cb 0.64 -3.28 -0.02 0.00 -0.04 0.00 0.00 33.50 30.80 1wh9 n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh9 s SER 90 N 6.68 6.57 0.23 3.54 0.15 -1.26 -5.02 113.70 124.58 1wh9 s SER 90 Ca 0.69 2.73 -0.18 0.00 0.70 0.00 0.00 55.95 59.88 1wh9 s SER 90 Cb 0.06 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1wh9 s SER 90 CO 0.19 -0.78 0.58 -0.44 1.20 0.00 0.00 173.24 173.99 1wh9 s SER 91 N 0.55 -0.24 0.00 5.45 0.01 -1.26 -5.29 113.70 112.92 1wh9 s SER 91 Ca 0.62 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1wh9 s SER 91 Cb -0.44 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1wh9 s SER 91 CO 0.42 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.52