#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whq n SER -2 N 0.00 0.89 -4.57 1.61 2.88 -1.26 -4.97 113.62 108.20 1whq n SER -2 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1whq n SER -2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1whq n SER -2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whq s SER -1 N -4.76 5.02 0.10 -3.46 0.01 -1.26 -4.68 113.70 104.66 1whq s SER -1 Ca 0.00 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1whq s SER -1 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1whq s SER -1 CO 0.00 -2.42 0.00 0.61 0.41 0.00 0.00 173.24 171.84 1whq n GLY 0 N 5.81 -2.15 2.93 3.44 0.00 -1.26 -5.01 105.19 108.95 1whq n GLY 0 Ca 0.30 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1whq n GLY 0 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whq s SER 1 N -5.35 0.22 -0.61 1.61 0.15 -1.26 -4.89 113.70 103.57 1whq s SER 1 Ca 0.00 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.32 1whq s SER 1 Cb 0.00 0.03 0.16 0.00 -1.71 0.00 0.00 66.02 64.49 1whq s SER 1 CO 0.00 -0.11 0.51 -0.44 1.20 0.00 0.00 173.24 174.40 1whq s SER 2 N -0.62 6.03 0.00 5.45 0.01 -1.26 -4.80 113.70 118.51 1whq s SER 2 Ca -0.06 -2.24 -0.09 0.00 1.31 0.00 0.00 55.95 54.88 1whq s SER 2 Cb -0.04 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.13 1whq s SER 2 CO -0.00 -0.65 0.40 0.61 0.41 0.00 0.00 173.24 174.01 1whq n GLY 3 N 4.52 0.60 0.07 3.44 0.00 -1.26 -5.02 105.19 107.53 1whq n GLY 3 Ca -0.01 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1whq n GLY 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1whq h ILE 4 N 1.32 1.60 0.49 -0.61 6.09 -1.94 -3.33 117.51 121.13 1whq h ILE 4 Ca -0.07 -3.30 -0.02 0.00 -1.37 0.00 0.00 64.86 60.10 1whq h ILE 4 Cb 0.38 2.83 -0.00 0.00 0.47 0.00 0.00 36.82 40.49 1whq h ILE 4 CO 0.10 0.92 -0.28 0.50 -3.07 0.00 0.00 178.15 176.32 1whq h LYS 5 N 0.01 -0.70 -0.98 2.19 3.11 -1.90 -2.52 116.57 115.77 1whq h LYS 5 Ca -0.06 0.05 0.23 0.00 -2.81 0.00 0.00 60.65 58.06 1whq h LYS 5 Cb 1.83 0.16 -0.12 0.00 -1.00 0.00 0.00 32.23 33.09 1whq h LYS 5 CO 0.14 -0.47 0.56 -0.97 -2.81 0.00 0.00 179.45 175.90 1whq h ASN 6 N -0.73 0.63 0.44 4.20 -0.73 -1.88 0.40 115.58 117.92 1whq h ASN 6 Ca -0.06 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1whq h ASN 6 Cb 0.59 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 1whq h ASN 6 CO 0.07 0.10 -0.37 0.15 -0.37 0.00 0.00 177.43 177.02 1whq h PHE 7 N 0.57 -0.99 0.73 0.67 3.57 -1.56 0.13 116.94 120.05 1whq h PHE 7 Ca 0.62 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.09 1whq h PHE 7 Cb 1.16 0.38 0.01 0.00 2.79 0.00 0.00 35.95 40.28 1whq h PHE 7 CO -0.03 -0.53 -0.35 1.25 -2.23 0.00 0.00 178.31 176.42 1whq h LEU 8 N -0.81 -0.83 -0.36 0.59 5.85 -0.95 0.56 115.31 119.35 1whq h LEU 8 Ca -0.04 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1whq h LEU 8 Cb 0.70 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 1whq h LEU 8 CO -0.02 -0.58 -0.42 0.22 -0.34 0.00 0.00 178.44 177.30 1whq h TYR 9 N -1.00 -1.23 -0.28 1.25 3.20 -0.95 0.51 116.97 118.48 1whq h TYR 9 Ca -0.10 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1whq h TYR 9 Cb 0.76 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.58 1whq h TYR 9 CO -0.02 -0.44 0.05 0.00 -1.64 0.00 0.00 178.16 176.11 1whq h ALA 10 N 0.39 0.28 -0.17 1.82 0.00 -0.70 -0.03 119.26 120.85 1whq h ALA 10 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1whq h ALA 10 Cb 0.59 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1whq h ALA 10 CO -0.55 -0.36 -0.28 2.35 0.00 0.00 0.00 179.25 180.41 1whq h TRP 11 N 0.15 -0.77 0.06 0.00 7.01 0.17 -1.78 115.95 120.80 1whq h TRP 11 Ca 0.13 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1whq h TRP 11 Cb 0.13 0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1whq h TRP 11 CO -0.17 -0.36 -0.04 0.00 -2.79 0.00 0.00 178.44 175.08 1whq h GLY 13 N -0.10 1.43 1.74 0.00 0.00 -0.53 0.65 103.07 106.25 1whq h GLY 13 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1whq h GLY 13 CO 0.00 -0.35 -0.06 0.50 0.00 0.00 0.00 176.54 176.64 1whq h LYS 14 N 0.25 0.33 -0.98 4.80 1.57 -1.03 -2.01 116.57 119.50 1whq h LYS 14 Ca 0.56 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.97 1whq h LYS 14 Cb 1.12 -0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.20 1whq h LYS 14 CO -0.62 0.41 0.38 0.54 -0.57 0.00 0.00 179.45 179.59 1whq n ARG 15 N -4.30 1.88 -4.08 3.15 1.74 0.21 -4.86 116.66 110.40 1whq n ARG 15 Ca 0.00 -1.88 -0.33 0.00 -0.77 0.00 0.00 57.85 54.87 1whq n ARG 15 Cb 0.24 -1.75 -0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1whq n ARG 15 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1whq n LYS 16 N -0.47 -4.16 -4.35 5.56 4.01 -0.76 -4.96 118.16 113.05 1whq n LYS 16 Ca 0.36 0.47 -0.22 0.00 -0.51 0.00 0.00 58.31 58.41 1whq n LYS 16 Cb 1.21 -5.23 -0.11 0.00 -0.51 0.00 0.00 35.03 30.39 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1whq s MET 17 N -6.77 1.32 -0.29 1.97 -1.94 -0.23 -4.99 119.30 108.37 1whq s MET 17 Ca 0.66 -1.46 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1whq s MET 17 Cb -0.35 -1.37 0.09 0.00 2.01 0.00 0.00 34.83 35.21 1whq s MET 17 CO 0.89 0.27 0.10 0.99 -0.01 0.00 0.00 175.02 177.26 1whq s THR 18 N -2.14 0.52 0.16 2.05 2.01 -1.26 -2.75 115.64 114.23 1whq s THR 18 Ca 0.18 -1.06 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 1whq s THR 18 Cb -0.05 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.03 1whq s THR 18 CO 0.07 -0.62 1.33 -2.16 -0.69 0.00 0.00 174.62 172.55 1whq s PRO 19 N 1.81 4.37 0.04 4.92 0.04 -1.26 -4.83 135.00 140.08 1whq s PRO 19 Ca 0.08 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 1whq s PRO 19 Cb -0.17 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1whq s PRO 19 CO -0.26 -0.32 0.35 0.00 0.04 0.00 0.00 177.00 176.81 1whq s ALA 20 N 0.56 3.76 -0.16 8.56 0.00 -1.10 -4.97 121.76 128.42 1whq s ALA 20 Ca 0.60 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1whq s ALA 20 Cb -0.36 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1whq s ALA 20 CO 0.34 0.58 -0.11 0.71 0.00 0.00 0.00 175.76 177.28 1whq s TYR 21 N -1.30 2.12 -0.14 0.00 2.02 -1.26 -3.01 117.35 115.78 1whq s TYR 21 Ca 0.29 -1.28 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 1whq s TYR 21 Cb -0.14 -1.54 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 1whq s TYR 21 CO 0.16 -0.67 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.29 1whq s GLU 22 N 1.50 2.65 -0.18 -0.62 2.56 -0.96 -4.99 118.70 118.66 1whq s GLU 22 Ca 0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 54.97 54.24 1whq s GLU 22 Cb -0.14 -2.26 -0.03 0.00 2.00 0.00 0.00 34.13 33.70 1whq s GLU 22 CO -0.09 -0.12 -0.00 0.42 -0.56 0.00 0.00 175.26 174.90 1whq s ILE 23 N 1.12 4.10 0.24 -3.70 1.01 -1.26 -1.19 121.20 121.53 1whq s ILE 23 Ca -0.01 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.45 1whq s ILE 23 Cb -0.14 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1whq s ILE 23 CO -0.06 0.46 0.04 -0.13 0.00 0.00 0.00 174.94 175.25 1whq s ARG 24 N 0.58 2.45 -0.17 2.79 1.81 0.67 -4.92 118.95 122.16 1whq s ARG 24 Ca -0.01 -1.28 -0.07 0.00 -1.72 0.00 0.00 55.73 52.66 1whq s ARG 24 Cb -0.14 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 1whq s ARG 24 CO 0.02 0.39 0.05 0.00 -0.68 0.00 0.00 175.30 175.08 1whq s ALA 25 N -2.17 3.37 0.28 2.13 0.00 -1.26 -1.02 121.76 123.08 1whq s ALA 25 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1whq s ALA 25 Cb -0.07 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1whq s ALA 25 CO 0.21 0.22 0.29 0.14 0.00 0.00 0.00 175.76 176.62 1whq s VAL 26 N 0.24 0.00 0.00 0.00 -7.23 0.57 -4.97 120.40 109.01 1whq s VAL 26 Ca 0.03 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1whq s VAL 26 Cb -0.12 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1whq s VAL 26 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1whq n GLY 27 N -0.46 0.30 3.84 2.32 0.00 -1.26 -0.55 105.19 109.37 1whq n GLY 27 Ca 0.03 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1whq n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1whq s ASN 28 N -1.19 5.55 0.60 1.61 0.01 -0.91 -4.76 114.94 115.85 1whq s ASN 28 Ca 0.00 1.51 0.29 0.00 -0.71 0.00 0.00 52.86 53.95 1whq s ASN 28 Cb 0.00 -2.42 1.20 0.00 0.41 0.00 0.00 41.25 40.44 1whq s ASN 28 CO 0.00 -1.32 1.56 0.07 -1.51 0.00 0.00 177.10 175.90 1whq h LYS 29 N -0.63 0.00 0.10 -0.60 -0.00 -2.02 0.18 116.57 113.60 1whq h LYS 29 Ca -0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1whq h LYS 29 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1whq h LYS 29 CO 0.59 0.00 -0.05 -0.97 -0.00 0.00 0.00 179.45 179.02 1whq h ASN 30 N 0.00 -0.11 -3.76 7.07 -1.24 -2.01 -3.42 115.58 112.11 1whq h ASN 30 Ca 0.41 -0.46 -0.68 0.00 0.71 0.00 0.00 56.30 56.28 1whq h ASN 30 Cb 2.28 0.03 -0.35 0.00 0.73 0.00 0.00 38.32 41.01 1whq h ASN 30 CO -0.00 0.53 -0.72 -0.13 -1.29 0.00 0.00 177.43 175.81 1whq s ARG 31 N -3.01 2.17 0.06 6.67 1.81 0.64 -5.10 118.95 122.19 1whq s ARG 31 Ca -0.13 -1.45 -0.19 0.00 -1.72 0.00 0.00 55.73 52.24 1whq s ARG 31 Cb -0.00 -3.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 1whq s ARG 31 CO 0.48 -0.71 0.54 -1.14 -0.68 0.00 0.00 175.30 173.79 1whq s GLN 32 N 1.14 4.15 0.04 3.54 -0.44 -1.23 -2.13 119.66 124.72 1whq s GLN 32 Ca -0.02 0.68 -0.07 0.00 -2.50 0.00 0.00 55.36 53.44 1whq s GLN 32 Cb -0.20 -3.24 -0.00 0.00 -1.64 0.00 0.00 33.01 27.93 1whq s GLN 32 CO -0.04 0.64 0.14 0.21 0.50 0.00 0.00 175.29 176.74 1whq s LYS 33 N -1.06 0.65 -0.03 1.67 2.47 0.28 -4.80 119.74 118.93 1whq s LYS 33 Ca 0.28 -0.72 0.05 0.00 -1.56 0.00 0.00 55.97 54.03 1whq s LYS 33 Cb -0.19 0.26 -0.01 0.00 -1.46 0.00 0.00 37.83 36.43 1whq s LYS 33 CO 0.18 -0.18 -0.18 -0.06 0.16 0.00 0.00 175.35 175.27 1whq s PHE 34 N -2.68 1.71 -0.26 4.03 0.08 -0.94 -0.32 117.98 119.60 1whq s PHE 34 Ca -0.04 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1whq s PHE 34 Cb -0.01 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 1whq s PHE 34 CO -0.05 -0.09 -0.07 -1.64 -0.10 0.00 0.00 175.22 173.27 1whq s MET 35 N -0.24 2.61 -0.19 0.44 -1.94 -0.19 -2.27 119.30 117.52 1whq s MET 35 Ca 0.02 -1.12 -0.07 0.00 -1.71 0.00 0.00 55.69 52.82 1whq s MET 35 Cb -0.09 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 1whq s MET 35 CO 0.01 -0.47 0.04 0.00 -0.01 0.00 0.00 175.02 174.59 1whq s GLU 37 N 0.62 2.04 0.03 0.00 -1.05 -0.33 -0.32 118.70 119.68 1whq s GLU 37 Ca 0.02 -0.76 0.06 0.00 -0.15 0.00 0.00 54.97 54.15 1whq s GLU 37 Cb -0.13 -1.80 -0.03 0.00 -0.44 0.00 0.00 34.13 31.72 1whq s GLU 37 CO 0.02 0.35 -0.17 0.54 0.95 0.00 0.00 175.26 176.95 1whq s VAL 38 N -0.18 2.88 0.00 1.83 0.11 0.14 -2.27 120.40 122.92 1whq s VAL 38 Ca -0.00 -1.12 0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1whq s VAL 38 Cb -0.11 -2.21 -0.00 0.00 -1.53 0.00 0.00 36.38 32.52 1whq s VAL 38 CO 0.02 0.36 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.00 1whq s ARG 39 N -1.38 0.18 -0.11 1.54 0.52 -1.16 -1.28 118.95 117.25 1whq s ARG 39 Ca 0.15 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 1whq s ARG 39 Cb -0.11 -0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.23 1whq s ARG 39 CO 0.05 0.04 -0.14 0.08 0.02 0.00 0.00 175.30 175.35 1whq s VAL 40 N -0.16 1.47 0.21 3.52 1.01 -1.26 -2.70 120.40 122.49 1whq s VAL 40 Ca -0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 1whq s VAL 40 Cb -0.02 -1.36 -0.15 0.00 0.00 0.00 0.00 36.38 34.85 1whq s VAL 40 CO -0.00 0.44 1.01 1.21 0.00 0.00 0.00 175.10 177.75 1whq n GLU 41 N 4.34 1.00 0.00 2.72 2.13 -1.26 -1.87 120.64 127.70 1whq n GLU 41 Ca -0.18 0.36 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1whq n GLU 41 Cb 0.51 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1whq n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whq n GLY 42 N 1.72 3.08 3.87 8.31 0.00 -1.26 -5.03 105.19 115.87 1whq n GLY 42 Ca 0.14 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1whq n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whq s PHE 43 N -0.61 3.60 -0.07 1.61 0.08 -0.78 -5.01 117.98 116.80 1whq s PHE 43 Ca 0.00 0.69 -0.15 0.00 0.12 0.00 0.00 56.93 57.59 1whq s PHE 43 Cb 0.00 -2.07 -0.29 0.00 -0.57 0.00 0.00 43.02 40.08 1whq s PHE 43 CO 0.00 0.61 0.66 -0.91 -0.10 0.00 0.00 175.22 175.48 1whq h ASN 44 N 4.13 0.50 -4.07 1.36 2.35 -1.96 -3.42 115.58 114.46 1whq h ASN 44 Ca -0.51 -0.90 -0.54 0.00 -0.55 0.00 0.00 56.30 53.81 1whq h ASN 44 Cb 1.20 -0.16 0.12 0.00 0.05 0.00 0.00 38.32 39.53 1whq h ASN 44 CO 0.65 1.66 0.53 -0.47 -1.65 0.00 0.00 177.43 178.14 1whq s TYR 45 N -2.51 2.36 -0.01 1.19 5.04 -1.26 -5.03 117.35 117.12 1whq s TYR 45 Ca -0.17 1.47 0.04 0.00 -2.44 0.00 0.00 57.07 55.96 1whq s TYR 45 Cb 0.04 -3.61 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 1whq s TYR 45 CO 0.81 -2.49 -0.12 0.00 -1.34 0.00 0.00 175.55 172.42 1whq s ALA 46 N -1.45 0.99 0.10 3.97 0.00 -1.26 -4.67 121.76 119.44 1whq s ALA 46 Ca 0.75 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 1whq s ALA 46 Cb -0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 1whq s ALA 46 CO 0.39 0.24 1.19 0.20 0.00 0.00 0.00 175.76 177.77 1whq s GLY 47 N -0.24 2.52 -0.12 0.00 0.00 -0.41 -4.84 107.32 104.23 1whq s GLY 47 Ca 0.04 0.87 -0.00 0.00 0.00 0.00 0.00 44.72 45.63 1whq s GLY 47 CO -0.00 1.95 -0.12 -3.16 0.00 0.00 0.00 173.10 171.76 1whq s MET 48 N 0.58 3.30 -0.02 2.90 0.23 -1.26 -0.68 119.30 124.36 1whq s MET 48 Ca 0.56 -0.67 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 1whq s MET 48 Cb -0.30 -2.63 0.02 0.00 -1.53 0.00 0.00 34.83 30.39 1whq s MET 48 CO 0.32 0.27 0.01 0.20 -2.03 0.00 0.00 175.02 173.79 1whq s GLY 49 N 0.20 0.14 0.05 3.16 0.00 0.56 -4.37 107.32 107.06 1whq s GLY 49 Ca -0.07 0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.91 1whq s GLY 49 CO 0.05 0.48 -0.24 0.54 0.00 0.00 0.00 173.10 173.92 1whq s ASN 50 N 0.79 3.33 -0.23 1.64 2.20 -1.26 -0.19 114.94 121.22 1whq s ASN 50 Ca -0.07 -0.56 -0.29 0.00 -0.94 0.00 0.00 52.86 50.99 1whq s ASN 50 Cb -0.10 -0.36 0.16 0.00 -2.00 0.00 0.00 41.25 38.95 1whq s ASN 50 CO -0.02 0.25 1.20 -0.55 -2.94 0.00 0.00 177.10 175.04 1whq s SER 51 N -1.35 -0.20 0.35 3.54 0.15 -0.96 -4.72 113.70 110.51 1whq s SER 51 Ca 0.13 0.23 0.07 0.00 0.70 0.00 0.00 55.95 57.08 1whq s SER 51 Cb -0.10 0.19 0.65 0.00 -1.71 0.00 0.00 66.02 65.04 1whq s SER 51 CO 0.03 -0.17 1.85 0.71 1.20 0.00 0.00 173.24 176.86 1whq h THR 52 N 2.39 1.21 -3.35 6.45 1.35 -1.87 -2.51 112.91 116.60 1whq h THR 52 Ca -0.14 -0.95 -0.64 0.00 -0.55 0.00 0.00 66.41 64.13 1whq h THR 52 Cb 1.18 1.23 -0.24 0.00 -1.73 0.00 0.00 68.15 68.59 1whq h THR 52 CO 0.25 0.30 -0.69 0.20 -0.25 0.00 0.00 175.52 175.33 1whq s ASN 53 N -6.84 4.60 0.19 5.36 0.01 -1.26 -4.56 114.94 112.44 1whq s ASN 53 Ca -0.06 -0.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.69 1whq s ASN 53 Cb 0.15 -1.75 0.15 0.00 0.41 0.00 0.00 41.25 40.21 1whq s ASN 53 CO 0.75 0.12 1.60 0.11 -1.51 0.00 0.00 177.10 178.17 1whq h LYS 54 N 7.04 -0.12 -0.86 -0.60 1.57 -1.95 0.13 116.57 121.77 1whq h LYS 54 Ca -0.32 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1whq h LYS 54 Cb 1.19 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 1whq h LYS 54 CO 0.61 -0.08 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.77 1whq h LYS 55 N -0.13 -0.06 -0.18 3.15 3.64 -1.96 0.14 116.57 121.16 1whq h LYS 55 Ca 0.25 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1whq h LYS 55 Cb 0.53 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1whq h LYS 55 CO -0.66 -0.04 0.00 0.22 -2.27 0.00 0.00 179.45 176.70 1whq h ASP 56 N -0.07 0.32 -0.50 4.20 1.82 -1.60 -3.18 116.42 117.41 1whq h ASP 56 Ca 0.28 -0.30 0.09 0.00 -0.39 0.00 0.00 57.03 56.70 1whq h ASP 56 Cb 0.56 -0.09 -0.10 0.00 0.68 0.00 0.00 39.33 40.38 1whq h ASP 56 CO -0.88 0.54 -0.33 0.00 -1.61 0.00 0.00 179.24 176.96 1whq h ALA 57 N 0.78 -0.12 -0.72 -0.78 0.00 0.13 0.21 119.26 118.76 1whq h ALA 57 Ca 0.05 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.26 1whq h ALA 57 Cb 0.38 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1whq h ALA 57 CO 0.01 -0.70 0.12 1.96 0.00 0.00 0.00 179.25 180.63 1whq h GLN 58 N -0.21 0.20 -0.57 0.00 4.20 -0.83 0.55 115.11 118.45 1whq h GLN 58 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1whq h GLN 58 Cb 0.54 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1whq h GLN 58 CO -0.61 0.13 0.37 0.77 -0.67 0.00 0.00 178.83 178.82 1whq h SER 59 N 0.21 0.65 0.20 1.46 0.02 -0.99 -2.84 113.55 112.26 1whq h SER 59 Ca 0.40 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1whq h SER 59 Cb 0.70 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1whq h SER 59 CO -0.55 0.48 -0.12 0.78 -1.14 0.00 0.00 176.83 176.28 1whq h ASN 60 N 0.77 -0.29 -0.57 3.07 4.21 0.17 -2.54 115.58 120.41 1whq h ASN 60 Ca 0.21 0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.81 1whq h ASN 60 Cb -0.08 0.08 -0.10 0.00 -1.12 0.00 0.00 38.32 37.10 1whq h ASN 60 CO -0.04 -0.19 -0.48 0.00 -1.29 0.00 0.00 177.43 175.42 1whq h ALA 61 N 0.49 -0.46 -0.43 -0.83 0.00 -0.95 -0.39 119.26 116.69 1whq h ALA 61 Ca -0.02 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1whq h ALA 61 Cb 0.25 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1whq h ALA 61 CO 0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 179.25 178.26 1whq h ALA 62 N 0.44 0.27 -0.36 0.00 0.00 -1.41 -2.01 119.26 116.20 1whq h ALA 62 Ca 0.15 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1whq h ALA 62 Cb 0.56 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1whq h ALA 62 CO -0.69 -0.46 -0.28 -0.09 0.00 0.00 0.00 179.25 177.74 1whq h ARG 63 N -0.01 -0.22 -0.54 0.00 9.65 -0.67 -1.09 114.38 121.48 1whq h ARG 63 Ca 0.21 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.21 1whq h ARG 63 Cb 0.33 0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.85 1whq h ARG 63 CO -0.45 -0.15 -0.12 0.22 2.80 0.00 0.00 179.97 182.27 1whq h ASP 64 N -0.23 -0.47 0.26 -3.80 1.82 -0.56 -2.05 116.42 111.39 1whq h ASP 64 Ca 0.17 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1whq h ASP 64 Cb 0.50 0.32 -0.03 0.00 0.68 0.00 0.00 39.33 40.81 1whq h ASP 64 CO -0.49 -0.17 -0.31 0.15 -1.61 0.00 0.00 179.24 176.81 1whq h PHE 65 N 0.01 -0.84 -0.79 0.28 3.57 -0.85 -2.69 116.94 115.63 1whq h PHE 65 Ca 0.26 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.92 1whq h PHE 65 Cb 0.41 0.33 -0.14 0.00 2.79 0.00 0.00 35.95 39.33 1whq h PHE 65 CO -0.44 -0.44 -0.23 0.28 -2.23 0.00 0.00 178.31 175.26 1whq n VAL 66 N -5.42 -0.35 -0.25 1.41 0.31 -0.53 0.14 118.33 113.64 1whq n VAL 66 Ca -0.09 1.82 0.05 0.00 -0.01 0.00 0.00 64.34 66.12 1whq n VAL 66 Cb 0.33 -2.49 0.16 0.00 -0.91 0.00 0.00 33.84 30.93 1whq n VAL 66 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1whq h ASN 67 N 0.00 -0.22 -0.62 4.52 2.35 -1.32 0.23 115.58 120.51 1whq h ASN 67 Ca 0.35 0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 56.23 1whq h ASN 67 Cb 0.55 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 1whq h ASN 67 CO -0.81 -0.13 0.21 0.22 -1.65 0.00 0.00 177.43 175.26 1whq h TYR 68 N 0.15 1.02 -0.84 1.19 5.03 0.12 -1.95 116.97 121.69 1whq h TYR 68 Ca 0.41 -0.09 0.01 0.00 2.58 0.00 0.00 58.73 61.64 1whq h TYR 68 Cb 0.72 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 1whq h TYR 68 CO -0.36 0.81 0.55 -0.07 -1.32 0.00 0.00 178.16 177.77 1whq h LEU 69 N 0.96 0.97 -0.40 2.82 3.38 0.07 -1.30 115.31 121.82 1whq h LEU 69 Ca 0.21 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1whq h LEU 69 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1whq h LEU 69 CO -0.01 0.71 -0.24 0.58 0.09 0.00 0.00 178.44 179.57 1whq h VAL 70 N 1.14 1.28 -0.14 1.22 2.07 -0.92 -0.22 116.25 120.68 1whq h VAL 70 Ca 0.31 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1whq h VAL 70 Cb -0.12 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1whq h VAL 70 CO -0.06 0.46 0.09 0.03 0.02 0.00 0.00 177.57 178.11 1whq h ARG 71 N 0.67 0.18 0.00 1.57 2.47 -0.99 -0.96 114.38 117.32 1whq h ARG 71 Ca 0.08 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1whq h ARG 71 Cb 0.81 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1whq h ARG 71 CO 0.07 0.12 0.00 0.44 0.56 0.00 0.00 179.97 181.15 1whq n ILE 72 N -5.00 1.31 -2.71 2.04 -5.35 -0.52 -4.84 119.36 104.29 1whq n ILE 72 Ca -0.04 0.33 -0.06 0.00 -0.27 0.00 0.00 62.75 62.70 1whq n ILE 72 Cb 0.03 -1.19 0.02 0.00 -1.74 0.00 0.00 39.64 36.77 1whq n ILE 72 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1whq n ASN 73 N -1.46 -2.93 -0.09 7.28 4.13 -0.37 -4.98 115.26 116.85 1whq n ASN 73 Ca 0.02 -0.17 -0.15 0.00 1.68 0.00 0.00 54.58 55.97 1whq n ASN 73 Cb 0.09 -1.84 -0.07 0.00 -1.54 0.00 0.00 39.78 36.42 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1whq n GLU 74 N -1.85 0.40 -4.84 3.52 -0.58 -0.11 -4.98 120.64 112.20 1whq n GLU 74 Ca -0.02 0.13 -0.33 0.00 -0.42 0.00 0.00 57.16 56.52 1whq n GLU 74 Cb 0.53 -1.26 -0.16 0.00 -0.57 0.00 0.00 31.44 29.98 1whq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1whq s VAL 75 N -2.33 2.51 -0.08 2.62 1.01 -1.11 -5.00 120.40 118.02 1whq s VAL 75 Ca -0.24 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1whq s VAL 75 Cb 0.07 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1whq s VAL 75 CO 0.36 0.54 0.95 -0.54 0.00 0.00 0.00 175.10 176.40 1whq s LYS 76 N 0.53 4.45 0.42 2.72 -0.14 -1.26 -4.02 119.74 122.44 1whq s LYS 76 Ca -0.12 1.30 0.24 0.00 -1.36 0.00 0.00 55.97 56.04 1whq s LYS 76 Cb -0.16 -3.51 1.26 0.00 -1.68 0.00 0.00 37.83 33.74 1whq s LYS 76 CO 0.04 -0.20 1.71 0.66 -0.76 0.00 0.00 175.35 176.80 1whq h SER 77 N 7.01 0.33 -1.29 2.83 4.64 -1.95 0.28 113.55 125.40 1whq h SER 77 Ca -0.35 0.10 0.39 0.00 -0.47 0.00 0.00 61.79 61.46 1whq h SER 77 Cb 1.17 0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 1whq h SER 77 CO 0.81 -0.03 0.86 -0.33 -0.87 0.00 0.00 176.83 177.28 1whq h GLU 78 N 0.24 0.14 0.14 4.77 4.39 -2.01 0.41 114.58 122.67 1whq h GLU 78 Ca 0.68 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 60.04 1whq h GLU 78 Cb 1.99 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.60 1whq h GLU 78 CO -0.33 0.09 -1.70 0.93 -1.16 0.00 0.00 179.01 176.84 1whq h GLU 79 N 0.14 0.29 -6.87 2.33 4.39 -0.82 -3.46 114.58 110.58 1whq h GLU 79 Ca 0.73 -0.49 -0.53 0.00 0.34 0.00 0.00 59.36 59.41 1whq h GLU 79 Cb 2.37 0.18 0.07 0.00 -0.10 0.00 0.00 28.75 31.28 1whq h GLU 79 CO -0.28 1.16 0.70 0.08 -1.16 0.00 0.00 179.01 179.52 1whq s VAL 80 N -2.59 2.52 0.55 3.13 1.01 0.15 -4.98 120.40 120.18 1whq s VAL 80 Ca -0.13 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 1whq s VAL 80 Cb 0.06 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1whq s VAL 80 CO 0.84 0.11 1.13 -2.16 0.00 0.00 0.00 175.10 175.02 1whq s PRO 81 N -1.56 3.35 0.26 2.72 0.04 -1.26 -4.92 135.00 133.63 1whq s PRO 81 Ca 0.52 1.61 0.10 0.00 0.04 0.00 0.00 61.00 63.27 1whq s PRO 81 Cb -0.42 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1whq s PRO 81 CO 0.54 -0.85 -0.10 0.00 0.04 0.00 0.00 177.00 176.62 1whq s ALA 82 N -1.79 2.96 -1.39 8.56 0.00 -1.26 -4.99 121.76 123.85 1whq s ALA 82 Ca 0.73 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1whq s ALA 82 Cb -0.24 -0.57 0.21 0.00 0.00 0.00 0.00 23.12 22.53 1whq s ALA 82 CO 0.27 0.31 0.98 1.55 0.00 0.00 0.00 175.76 178.87 1whq n VAL 83 N -0.61 1.05 0.00 0.00 3.14 -1.26 -4.86 118.33 115.79 1whq n VAL 83 Ca -0.07 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 1whq n VAL 83 Cb 0.59 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 1whq n VAL 83 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1whq n GLY 84 N -0.93 -0.82 3.61 7.55 0.00 -1.26 -5.05 105.19 108.28 1whq n GLY 84 Ca 0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1whq n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1whq s ILE 85 N -4.00 5.13 -1.03 -0.61 -4.36 -1.26 -4.49 121.20 110.58 1whq s ILE 85 Ca 0.00 0.67 -0.09 0.00 -0.26 0.00 0.00 60.65 60.96 1whq s ILE 85 Cb 0.00 -3.75 0.01 0.00 1.25 0.00 0.00 42.46 39.97 1whq s ILE 85 CO 0.00 0.12 0.17 1.33 0.24 0.00 0.00 174.94 176.80 1whq n VAL 86 N 5.14 -1.13 -2.26 8.37 0.24 -1.26 -4.84 118.33 122.60 1whq n VAL 86 Ca -0.07 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.34 61.49 1whq n VAL 86 Cb 0.50 -1.03 -0.00 0.00 -1.47 0.00 0.00 33.84 31.84 1whq n VAL 86 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1whq s PRO 87 N -6.39 3.50 0.51 7.34 0.04 -1.26 -5.01 135.00 133.74 1whq s PRO 87 Ca 0.13 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 1whq s PRO 87 Cb -0.07 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1whq s PRO 87 CO 0.71 -0.74 1.14 -1.25 0.04 0.00 0.00 177.00 176.90 1whq s PRO 88 N -3.07 3.50 -0.59 0.56 0.04 -1.26 -4.94 135.00 129.25 1whq s PRO 88 Ca 0.69 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 63.14 1whq s PRO 88 Cb -0.26 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1whq s PRO 88 CO 0.30 -0.74 1.85 -1.25 0.04 0.00 0.00 177.00 177.20 1whq s PRO 89 N -3.07 2.69 -0.25 0.56 0.04 -1.26 -4.90 135.00 128.81 1whq s PRO 89 Ca 0.69 0.67 -0.27 0.00 0.04 0.00 0.00 61.00 62.13 1whq s PRO 89 Cb -0.26 -4.37 0.16 0.00 0.04 0.00 0.00 34.50 30.07 1whq s PRO 89 CO 0.30 -2.65 1.21 -1.54 0.04 0.00 0.00 177.00 174.35 1whq s SER 90 N 7.89 -0.22 0.53 6.66 1.04 -1.26 -5.18 113.70 123.15 1whq s SER 90 Ca 0.68 0.34 0.03 0.00 0.48 0.00 0.00 55.95 57.48 1whq s SER 90 Cb -0.13 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.33 1whq s SER 90 CO 0.22 -0.14 0.74 -0.83 0.98 0.00 0.00 173.24 174.20 1whq s GLY 91 N -0.51 1.85 0.38 7.32 0.00 -1.26 -5.07 107.32 110.03 1whq s GLY 91 Ca 0.04 -1.45 -0.26 0.00 0.00 0.00 0.00 44.72 43.05 1whq s GLY 91 CO -0.07 -1.17 1.20 2.56 0.00 0.00 0.00 173.10 175.62 1whq s PRO 92 N -4.68 4.15 -0.06 2.90 0.04 -1.26 -5.05 135.00 131.04 1whq s PRO 92 Ca 0.57 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.58 1whq s PRO 92 Cb -0.10 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1whq s PRO 92 CO 0.37 -0.27 -0.18 -1.12 0.04 0.00 0.00 177.00 175.85 1whq s SER 93 N -0.97 2.34 -0.17 6.66 0.01 -1.26 -5.04 113.70 115.27 1whq s SER 93 Ca 0.55 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 57.25 1whq s SER 93 Cb -0.33 -0.85 -0.12 0.00 0.21 0.00 0.00 66.02 64.93 1whq s SER 93 CO 0.42 0.13 0.10 0.77 0.41 0.00 0.00 173.24 175.07 1whq h SER 94 N 6.51 0.00 0.00 2.44 4.64 -2.09 -3.58 113.55 121.48 1whq h SER 94 Ca -0.29 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1whq h SER 94 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1whq h SER 94 CO 0.47 1.09 0.00 0.61 -0.87 0.00 0.00 176.83 178.13