#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whq s SER -2 N 0.00 -0.63 0.29 1.61 1.04 -1.26 -5.16 113.70 109.58 1whq s SER -2 Ca 0.00 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 1whq s SER -2 Cb 0.00 0.97 -0.06 0.00 0.10 0.00 0.00 66.02 67.03 1whq s SER -2 CO 0.00 -0.20 0.59 -0.55 0.98 0.00 0.00 173.24 174.06 1whq s SER -1 N 1.30 6.53 -0.39 7.02 0.15 -1.26 -5.07 113.70 121.98 1whq s SER -1 Ca -0.08 0.87 0.05 0.00 0.70 0.00 0.00 55.95 57.49 1whq s SER -1 Cb -0.07 -2.21 0.18 0.00 -1.71 0.00 0.00 66.02 62.22 1whq s SER -1 CO -0.13 -0.18 0.69 -0.83 1.20 0.00 0.00 173.24 173.99 1whq s GLY 0 N -2.85 -1.30 -0.33 9.45 0.00 -1.26 -5.13 107.32 105.90 1whq s GLY 0 Ca 0.47 0.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.46 1whq s GLY 0 CO 0.27 3.76 0.37 -0.56 0.00 0.00 0.00 173.10 176.93 1whq s SER 1 N 1.93 6.19 0.04 1.64 0.01 -1.26 -5.06 113.70 117.20 1whq s SER 1 Ca 0.16 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 1whq s SER 1 Cb -0.03 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1whq s SER 1 CO -0.09 -0.32 1.00 -0.44 0.41 0.00 0.00 173.24 173.80 1whq s SER 2 N 1.72 7.38 0.00 2.44 0.01 -1.26 -4.83 113.70 119.16 1whq s SER 2 Ca 0.12 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1whq s SER 2 Cb -0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1whq s SER 2 CO 0.12 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1whq n GLY 3 N 2.71 -0.01 0.02 3.44 0.00 -1.26 -4.77 105.19 105.32 1whq n GLY 3 Ca 0.05 -2.28 -0.01 0.00 0.00 0.00 0.00 46.02 43.78 1whq n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1whq n ILE 4 N -0.09 0.20 -0.21 -0.61 0.13 -1.26 -4.50 119.36 113.02 1whq n ILE 4 Ca 0.00 -0.16 -0.09 0.00 -1.10 0.00 0.00 62.75 61.40 1whq n ILE 4 Cb 0.00 -0.46 0.03 0.00 -0.84 0.00 0.00 39.64 38.37 1whq n ILE 4 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1whq h LYS 5 N 0.00 1.06 0.00 9.51 3.11 -1.88 -2.44 116.57 125.94 1whq h LYS 5 Ca -0.08 -0.33 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 1whq h LYS 5 Cb 0.92 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.05 1whq h LYS 5 CO 0.00 1.03 -0.04 -0.91 -2.81 0.00 0.00 179.45 176.72 1whq h ASN 6 N 0.97 0.00 0.41 4.20 4.21 -1.86 -2.85 115.58 120.66 1whq h ASN 6 Ca 0.17 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.66 1whq h ASN 6 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1whq h ASN 6 CO 0.03 0.04 -0.20 0.15 -1.29 0.00 0.00 177.43 176.17 1whq h PHE 7 N 0.00 -0.51 -0.34 1.19 3.04 -1.67 -2.52 116.94 116.13 1whq h PHE 7 Ca -0.00 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1whq h PHE 7 Cb 0.60 0.17 -0.05 0.00 2.56 0.00 0.00 35.95 39.22 1whq h PHE 7 CO 0.00 -0.31 0.01 1.25 -2.02 0.00 0.00 178.31 177.24 1whq h LEU 8 N -1.13 -0.11 0.26 0.59 5.85 -1.55 0.07 115.31 119.29 1whq h LEU 8 Ca -0.06 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1whq h LEU 8 Cb 0.42 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1whq h LEU 8 CO 0.09 -0.02 -0.48 0.22 -0.34 0.00 0.00 178.44 177.92 1whq h TYR 9 N 0.11 -1.36 -0.37 1.25 3.20 -1.62 0.29 116.97 118.49 1whq h TYR 9 Ca 0.17 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1whq h TYR 9 Cb 0.22 0.56 -0.07 0.00 1.54 0.00 0.00 36.73 38.98 1whq h TYR 9 CO -0.23 -0.58 -0.10 0.00 -1.64 0.00 0.00 178.16 175.62 1whq h ALA 10 N -0.78 0.24 -0.44 1.82 0.00 -1.24 0.18 119.26 119.03 1whq h ALA 10 Ca -0.03 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1whq h ALA 10 Cb 0.74 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1whq h ALA 10 CO -0.18 -0.46 -0.04 2.35 0.00 0.00 0.00 179.25 180.92 1whq h TRP 11 N -0.01 -0.11 -0.12 0.00 7.01 -0.64 -1.62 115.95 120.46 1whq h TRP 11 Ca 0.18 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1whq h TRP 11 Cb 0.27 0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1whq h TRP 11 CO -0.34 -0.13 0.03 0.00 -2.79 0.00 0.00 178.44 175.21 1whq h GLY 13 N -0.01 1.46 0.91 0.00 0.00 -0.06 0.22 103.07 105.60 1whq h GLY 13 Ca 0.04 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.25 1whq h GLY 13 CO 0.00 -0.22 0.57 0.50 0.00 0.00 0.00 176.54 177.39 1whq h LYS 14 N 0.43 0.98 -0.96 4.80 1.57 -1.19 -0.29 116.57 121.91 1whq h LYS 14 Ca 0.53 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 59.10 1whq h LYS 14 Cb 0.96 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 1whq h LYS 14 CO -0.50 0.65 0.19 0.54 -0.57 0.00 0.00 179.45 179.76 1whq n ARG 15 N -4.48 1.75 -3.79 3.15 1.74 0.63 -4.83 116.66 110.82 1whq n ARG 15 Ca 0.13 -1.17 -0.29 0.00 -0.77 0.00 0.00 57.85 55.75 1whq n ARG 15 Cb 0.18 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 1whq n ARG 15 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1whq n LYS 16 N -0.04 -5.29 -4.44 5.56 3.00 -0.12 -4.97 118.16 111.86 1whq n LYS 16 Ca 0.20 0.61 -0.26 0.00 -0.00 0.00 0.00 58.31 58.86 1whq n LYS 16 Cb 0.87 -5.48 -0.11 0.00 0.00 0.00 0.00 35.03 30.30 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1whq s MET 17 N -6.49 1.56 -0.29 1.64 -1.94 -0.38 -4.99 119.30 108.41 1whq s MET 17 Ca 0.62 -1.60 -0.02 0.00 -1.71 0.00 0.00 55.69 52.97 1whq s MET 17 Cb -0.31 -1.80 0.09 0.00 2.01 0.00 0.00 34.83 34.82 1whq s MET 17 CO 0.76 0.37 0.10 0.99 -0.01 0.00 0.00 175.02 177.23 1whq s THR 18 N -1.96 0.55 0.23 2.05 2.01 -1.26 -2.80 115.64 114.47 1whq s THR 18 Ca 0.24 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 1whq s THR 18 Cb -0.07 -1.37 -0.09 0.00 0.01 0.00 0.00 72.50 70.98 1whq s THR 18 CO 0.11 -0.62 1.28 -2.16 -0.69 0.00 0.00 174.62 172.55 1whq s PRO 19 N 1.79 4.41 -0.18 4.92 0.04 -1.26 -4.88 135.00 139.84 1whq s PRO 19 Ca 0.08 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 1whq s PRO 19 Cb -0.17 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1whq s PRO 19 CO -0.26 -0.19 0.04 0.00 0.04 0.00 0.00 177.00 176.63 1whq s ALA 20 N -0.24 3.28 -0.15 8.56 0.00 -1.17 -5.00 121.76 127.04 1whq s ALA 20 Ca 0.54 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 1whq s ALA 20 Cb -0.36 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1whq s ALA 20 CO 0.41 0.10 -0.03 0.71 0.00 0.00 0.00 175.76 176.96 1whq s TYR 21 N 0.52 3.05 0.12 0.00 1.51 -1.26 -3.08 117.35 118.21 1whq s TYR 21 Ca 0.02 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 1whq s TYR 21 Cb -0.13 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1whq s TYR 21 CO 0.01 0.03 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.36 1whq s GLU 22 N 0.22 1.00 -0.01 -0.62 2.12 -1.11 -5.02 118.70 115.28 1whq s GLU 22 Ca -0.02 -1.24 0.04 0.00 0.36 0.00 0.00 54.97 54.11 1whq s GLU 22 Cb -0.14 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.43 1whq s GLU 22 CO 0.03 0.15 -0.13 0.42 -0.54 0.00 0.00 175.26 175.18 1whq s ILE 23 N -2.30 1.04 0.13 -3.70 1.01 -1.26 -2.33 121.20 113.80 1whq s ILE 23 Ca 0.09 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1whq s ILE 23 Cb -0.04 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1whq s ILE 23 CO 0.02 0.30 -0.12 -0.13 0.00 0.00 0.00 174.94 175.02 1whq s ARG 24 N -0.27 1.02 -0.19 2.79 1.81 0.30 -4.96 118.95 119.45 1whq s ARG 24 Ca 0.04 -1.34 -0.09 0.00 -1.72 0.00 0.00 55.73 52.62 1whq s ARG 24 Cb -0.06 -0.72 -0.05 0.00 -0.45 0.00 0.00 34.95 33.68 1whq s ARG 24 CO -0.00 0.11 0.12 0.00 -0.68 0.00 0.00 175.30 174.85 1whq s ALA 25 N -2.78 3.66 0.22 2.13 0.00 -1.26 -0.78 121.76 122.95 1whq s ALA 25 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1whq s ALA 25 Cb -0.01 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1whq s ALA 25 CO 0.02 0.19 0.16 0.14 0.00 0.00 0.00 175.76 176.26 1whq s VAL 26 N 0.28 0.00 0.00 0.00 -7.23 -0.21 -4.93 120.40 108.30 1whq s VAL 26 Ca 0.08 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1whq s VAL 26 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1whq s VAL 26 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1whq n GLY 27 N -0.32 -1.84 3.77 2.32 0.00 -1.26 -1.36 105.19 106.49 1whq n GLY 27 Ca 0.03 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.00 5.28 0.29 1.61 0.01 -1.06 -4.91 114.94 112.16 1whq s ASN 28 Ca 0.00 -0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 51.84 1whq s ASN 28 Cb 0.00 -1.28 0.66 0.00 0.41 0.00 0.00 41.25 41.04 1whq s ASN 28 CO 0.00 0.01 1.60 0.07 -1.51 0.00 0.00 177.10 177.27 1whq h LYS 29 N 1.95 0.06 0.13 -0.60 2.10 -2.00 0.13 116.57 118.32 1whq h LYS 29 Ca -0.47 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1whq h LYS 29 Cb 1.23 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1whq h LYS 29 CO 0.61 0.04 -0.06 -0.91 -2.00 0.00 0.00 179.45 177.13 1whq h ASN 30 N 0.06 -0.15 -3.50 7.07 4.21 -2.01 -3.33 115.58 117.93 1whq h ASN 30 Ca 0.54 -0.13 -0.77 0.00 1.21 0.00 0.00 56.30 57.15 1whq h ASN 30 Cb 1.07 0.04 -0.30 0.00 -1.12 0.00 0.00 38.32 38.01 1whq h ASN 30 CO -0.82 0.05 0.30 -0.13 -1.29 0.00 0.00 177.43 175.53 1whq s ARG 31 N -5.51 3.95 0.18 0.81 0.52 0.41 -5.04 118.95 114.27 1whq s ARG 31 Ca -0.14 -3.24 -0.31 0.00 -0.52 0.00 0.00 55.73 51.52 1whq s ARG 31 Cb 0.04 -4.39 -0.09 0.00 0.52 0.00 0.00 34.95 31.03 1whq s ARG 31 CO 0.64 -1.25 1.41 -1.14 0.02 0.00 0.00 175.30 174.98 1whq s GLN 32 N -1.29 4.31 0.06 3.54 2.00 -1.03 -2.56 119.66 124.70 1whq s GLN 32 Ca 0.30 2.17 0.01 0.00 -2.00 0.00 0.00 55.36 55.84 1whq s GLN 32 Cb -0.09 -3.18 -0.03 0.00 0.80 0.00 0.00 33.01 30.50 1whq s GLN 32 CO -0.09 -0.41 -0.06 0.15 -0.50 0.00 0.00 175.29 174.38 1whq s LYS 33 N 0.42 0.65 -0.04 1.67 1.02 -0.46 -4.63 119.74 118.37 1whq s LYS 33 Ca 0.62 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1whq s LYS 33 Cb -0.39 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1whq s LYS 33 CO 0.36 -0.02 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.60 1whq s PHE 34 N -2.76 1.21 -0.20 3.18 0.08 -0.76 -1.05 117.98 117.68 1whq s PHE 34 Ca 0.01 -0.34 -0.00 0.00 0.12 0.00 0.00 56.93 56.72 1whq s PHE 34 Cb -0.01 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1whq s PHE 34 CO -0.04 -0.14 -0.14 -1.64 -0.10 0.00 0.00 175.22 173.16 1whq s MET 35 N 0.25 3.00 -0.06 0.44 -1.94 0.04 -1.14 119.30 119.88 1whq s MET 35 Ca -0.05 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1whq s MET 35 Cb -0.11 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.96 1whq s MET 35 CO 0.01 -0.26 -0.02 0.00 -0.01 0.00 0.00 175.02 174.74 1whq s GLU 37 N -1.05 0.47 -0.10 0.00 8.01 -0.98 -0.60 118.70 124.44 1whq s GLU 37 Ca 0.15 -0.03 0.03 0.00 0.01 0.00 0.00 54.97 55.12 1whq s GLU 37 Cb -0.11 -0.56 -0.01 0.00 -4.31 0.00 0.00 34.13 29.14 1whq s GLU 37 CO 0.04 -0.07 -0.19 0.54 0.01 0.00 0.00 175.26 175.59 1whq s VAL 38 N 0.75 2.52 0.11 2.63 0.11 0.06 -2.74 120.40 123.83 1whq s VAL 38 Ca -0.08 -0.86 0.10 0.00 -2.93 0.00 0.00 61.98 58.21 1whq s VAL 38 Cb -0.12 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1whq s VAL 38 CO -0.01 0.55 -0.26 -0.13 -3.33 0.00 0.00 175.10 171.92 1whq s ARG 39 N 0.21 1.54 -0.11 1.54 0.52 -1.18 -1.08 118.95 120.40 1whq s ARG 39 Ca -0.12 -1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 53.80 1whq s ARG 39 Cb -0.16 -1.94 0.04 0.00 0.52 0.00 0.00 34.95 33.41 1whq s ARG 39 CO 0.06 0.47 0.04 0.08 0.02 0.00 0.00 175.30 175.97 1whq s VAL 40 N -1.00 0.19 0.14 3.52 1.01 -1.26 -3.05 120.40 119.94 1whq s VAL 40 Ca 0.14 0.02 -0.33 0.00 0.00 0.00 0.00 61.98 61.80 1whq s VAL 40 Cb -0.10 -0.54 -0.17 0.00 0.00 0.00 0.00 36.38 35.57 1whq s VAL 40 CO 0.05 0.04 0.96 1.21 0.00 0.00 0.00 175.10 177.36 1whq n GLU 41 N 5.19 0.53 0.00 2.72 2.13 -1.26 -1.72 120.64 128.23 1whq n GLU 41 Ca -0.06 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1whq n GLU 41 Cb 0.49 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.66 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 1.84 3.10 3.96 8.31 0.00 -1.26 -5.05 105.19 116.09 1whq n GLY 42 Ca 0.17 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.66 3.47 -0.23 1.61 0.08 -0.70 -5.04 117.98 116.50 1whq s PHE 43 Ca 0.00 0.12 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1whq s PHE 43 Cb 0.00 -1.69 -0.18 0.00 -0.57 0.00 0.00 43.02 40.58 1whq s PHE 43 CO 0.00 0.35 -0.10 0.09 -0.10 0.00 0.00 175.22 175.46 1whq n ASN 44 N -1.39 2.00 -4.78 1.36 4.13 -1.26 -4.75 115.26 110.57 1whq n ASN 44 Ca -0.07 0.04 -0.35 0.00 1.68 0.00 0.00 54.58 55.87 1whq n ASN 44 Cb 0.56 -0.60 -0.02 0.00 -1.54 0.00 0.00 39.78 38.19 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1whq s TYR 45 N -2.52 2.89 -0.04 3.10 5.04 -1.26 -5.03 117.35 119.53 1whq s TYR 45 Ca -0.33 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1whq s TYR 45 Cb 0.09 -3.23 0.01 0.00 0.35 0.00 0.00 41.96 39.18 1whq s TYR 45 CO 0.62 -1.23 -0.11 0.00 -1.34 0.00 0.00 175.55 173.48 1whq s ALA 46 N -1.75 1.08 -0.50 3.97 0.00 -1.26 -4.69 121.76 118.61 1whq s ALA 46 Ca 0.67 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1whq s ALA 46 Cb -0.23 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1whq s ALA 46 CO 0.27 0.15 2.29 0.20 0.00 0.00 0.00 175.76 178.67 1whq s GLY 47 N 0.35 -0.27 -0.22 0.00 0.00 -0.24 -4.73 107.32 102.20 1whq s GLY 47 Ca -0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 1whq s GLY 47 CO 0.02 3.99 0.05 -3.16 0.00 0.00 0.00 173.10 174.00 1whq s MET 48 N 7.93 3.74 -0.02 2.90 0.23 -1.26 -0.76 119.30 132.06 1whq s MET 48 Ca 0.92 -0.45 0.01 0.00 -1.03 0.00 0.00 55.69 55.14 1whq s MET 48 Cb -0.17 -3.24 0.01 0.00 -1.53 0.00 0.00 34.83 29.90 1whq s MET 48 CO 0.25 -0.01 -0.03 0.20 -2.03 0.00 0.00 175.02 173.40 1whq s GLY 49 N 1.13 0.28 -0.08 3.16 0.00 0.23 -4.67 107.32 107.36 1whq s GLY 49 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1whq s GLY 49 CO 0.03 0.24 -0.10 0.54 0.00 0.00 0.00 173.10 173.81 1whq s ASN 50 N 0.51 4.39 -0.27 1.64 2.20 -1.26 -0.83 114.94 121.31 1whq s ASN 50 Ca -0.06 -0.13 -0.24 0.00 -0.94 0.00 0.00 52.86 51.49 1whq s ASN 50 Cb -0.09 -1.22 0.09 0.00 -2.00 0.00 0.00 41.25 38.03 1whq s ASN 50 CO -0.01 0.30 0.81 -0.44 -2.94 0.00 0.00 177.10 174.83 1whq s SER 51 N -0.47 -0.68 0.35 3.54 0.01 -0.30 -4.80 113.70 111.37 1whq s SER 51 Ca 0.06 1.28 0.15 0.00 1.31 0.00 0.00 55.95 58.75 1whq s SER 51 Cb -0.12 1.29 1.06 0.00 0.21 0.00 0.00 66.02 68.46 1whq s SER 51 CO 0.02 -0.22 1.70 0.71 0.41 0.00 0.00 173.24 175.86 1whq h THR 52 N 4.01 0.40 -3.00 1.44 1.35 -1.82 -2.01 112.91 113.28 1whq h THR 52 Ca -0.29 -0.14 -0.61 0.00 -0.55 0.00 0.00 66.41 64.82 1whq h THR 52 Cb 1.17 -0.03 -0.10 0.00 -1.73 0.00 0.00 68.15 67.46 1whq h THR 52 CO 0.08 0.07 -0.64 0.54 -0.25 0.00 0.00 175.52 175.32 1whq s ASN 53 N -5.02 5.03 0.05 5.36 4.22 -1.26 -4.08 114.94 119.23 1whq s ASN 53 Ca -0.10 -0.26 -0.24 0.00 -2.14 0.00 0.00 52.86 50.13 1whq s ASN 53 Cb 0.28 -1.18 -0.16 0.00 1.28 0.00 0.00 41.25 41.47 1whq s ASN 53 CO 0.80 0.11 1.54 0.11 -2.04 0.00 0.00 177.10 177.62 1whq h LYS 54 N 2.90 0.03 -0.41 3.55 1.57 -1.93 -2.42 116.57 119.86 1whq h LYS 54 Ca -0.47 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1whq h LYS 54 Cb 1.19 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1whq h LYS 54 CO 0.60 0.24 -0.24 1.63 -0.57 0.00 0.00 179.45 181.11 1whq n LYS 55 N -4.96 -0.18 0.00 3.15 5.02 -1.26 -0.59 118.16 119.34 1whq n LYS 55 Ca -0.07 1.13 -0.10 0.00 -2.02 0.00 0.00 58.31 57.25 1whq n LYS 55 Cb 0.13 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 1whq n LYS 55 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1whq h ASP 56 N 0.00 -0.25 -0.76 4.39 3.58 -1.94 -2.62 116.42 118.81 1whq h ASP 56 Ca 0.07 0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.67 1whq h ASP 56 Cb 0.17 0.13 -0.12 0.00 1.72 0.00 0.00 39.33 41.23 1whq h ASP 56 CO -0.39 -0.11 -0.47 0.00 -2.88 0.00 0.00 179.24 175.39 1whq h ALA 57 N 0.99 -0.31 -0.95 -0.78 0.00 -0.48 0.51 119.26 118.24 1whq h ALA 57 Ca 0.07 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1whq h ALA 57 Cb 0.19 1.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1whq h ALA 57 CO -0.16 -0.84 0.60 1.96 0.00 0.00 0.00 179.25 180.82 1whq h GLN 58 N -0.14 0.87 -0.30 0.00 7.50 -0.61 0.41 115.11 122.85 1whq h GLN 58 Ca 0.20 -0.05 -0.10 0.00 0.50 0.00 0.00 58.65 59.21 1whq h GLN 58 Cb 0.54 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 1whq h GLN 58 CO -0.81 0.57 -0.22 0.77 -1.50 0.00 0.00 178.83 177.65 1whq h SER 59 N 0.89 0.56 -0.03 1.46 0.02 0.21 -2.79 113.55 113.87 1whq h SER 59 Ca 0.46 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 61.03 1whq h SER 59 Cb 0.52 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1whq h SER 59 CO -0.23 0.78 -0.71 0.78 -1.14 0.00 0.00 176.83 176.31 1whq h ASN 60 N 0.50 0.78 0.48 3.07 2.35 0.12 -2.86 115.58 120.01 1whq h ASN 60 Ca 0.08 -0.49 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1whq h ASN 60 Cb 0.65 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1whq h ASN 60 CO 0.05 1.26 -0.33 0.00 -1.65 0.00 0.00 177.43 176.75 1whq h ALA 61 N 0.74 -0.80 0.30 -0.83 0.00 -0.83 0.76 119.26 118.59 1whq h ALA 61 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1whq h ALA 61 Cb 1.31 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1whq h ALA 61 CO 0.14 -0.97 -0.37 0.00 0.00 0.00 0.00 179.25 178.05 1whq h ALA 62 N -0.36 -0.75 -0.54 0.00 0.00 -1.58 -2.34 119.26 113.69 1whq h ALA 62 Ca -0.05 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1whq h ALA 62 Cb 0.66 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1whq h ALA 62 CO 0.03 -0.97 0.04 -0.09 0.00 0.00 0.00 179.25 178.26 1whq h ARG 63 N -0.71 0.15 -0.12 0.00 9.65 -1.46 -0.74 114.38 121.15 1whq h ARG 63 Ca -0.01 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1whq h ARG 63 Cb 0.67 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.15 1whq h ARG 63 CO -0.11 0.10 -0.54 -0.44 2.80 0.00 0.00 179.97 181.79 1whq h ASP 64 N 0.16 -1.69 -0.57 -3.80 5.19 -0.48 -1.62 116.42 113.61 1whq h ASP 64 Ca 0.28 0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.96 1whq h ASP 64 Cb 0.42 0.66 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1whq h ASP 64 CO -0.43 -0.49 0.25 0.15 -3.12 0.00 0.00 179.24 175.61 1whq h PHE 65 N -0.59 0.46 -1.03 4.55 3.04 -0.93 -1.49 116.94 120.94 1whq h PHE 65 Ca 0.03 0.03 0.28 0.00 3.98 0.00 0.00 57.97 62.29 1whq h PHE 65 Cb 0.69 -0.12 -0.13 0.00 2.56 0.00 0.00 35.95 38.95 1whq h PHE 65 CO -0.57 0.18 0.61 0.28 -2.02 0.00 0.00 178.31 176.79 1whq h VAL 66 N 0.47 0.44 -0.29 1.41 2.07 -0.22 0.68 116.25 120.82 1whq h VAL 66 Ca 0.27 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 1whq h VAL 66 Cb 0.26 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1whq h VAL 66 CO -0.23 0.08 -0.09 0.78 0.02 0.00 0.00 177.57 178.14 1whq h ASN 67 N 0.45 0.44 0.36 0.57 2.35 -0.61 -2.43 115.58 116.71 1whq h ASN 67 Ca 0.67 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 56.20 1whq h ASN 67 Cb 1.48 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 1whq h ASN 67 CO -0.48 0.57 -0.52 0.22 -1.65 0.00 0.00 177.43 175.57 1whq h TYR 68 N 0.44 0.22 -0.44 1.19 3.20 0.39 -2.45 116.97 119.53 1whq h TYR 68 Ca 0.09 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1whq h TYR 68 Cb 0.42 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1whq h TYR 68 CO 0.01 0.67 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.98 1whq h LEU 69 N 0.14 0.89 -0.81 2.82 3.38 -0.88 -2.61 115.31 118.25 1whq h LEU 69 Ca 0.00 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1whq h LEU 69 Cb 0.97 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1whq h LEU 69 CO 0.08 1.07 -0.42 0.58 0.09 0.00 0.00 178.44 179.83 1whq h VAL 70 N 0.71 1.31 -0.16 1.22 2.07 -1.41 0.10 116.25 120.09 1whq h VAL 70 Ca 0.11 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 1whq h VAL 70 Cb 0.70 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1whq h VAL 70 CO 0.05 0.48 -0.23 0.03 0.02 0.00 0.00 177.57 177.92 1whq h ARG 71 N 0.31 0.28 -0.33 1.57 2.47 -1.31 -1.95 114.38 115.41 1whq h ARG 71 Ca 0.03 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1whq h ARG 71 Cb 0.88 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1whq h ARG 71 CO 0.07 0.51 0.00 0.44 0.56 0.00 0.00 179.97 181.55 1whq n ILE 72 N -4.17 0.44 -3.44 2.04 -5.35 -1.00 -4.91 119.36 102.98 1whq n ILE 72 Ca -0.01 -0.46 -0.20 0.00 -0.27 0.00 0.00 62.75 61.81 1whq n ILE 72 Cb 0.36 0.25 0.08 0.00 -1.74 0.00 0.00 39.64 38.59 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 0.52 -4.55 -0.06 7.28 3.02 -0.73 -4.92 115.26 115.81 1whq n ASN 73 Ca 0.12 -0.53 -0.07 0.00 -0.03 0.00 0.00 54.58 54.08 1whq n ASN 73 Cb 0.30 -4.71 -0.09 0.00 -0.61 0.00 0.00 39.78 34.67 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1whq n GLU 74 N -4.37 1.78 -4.10 3.52 -0.58 0.33 -5.01 120.64 112.21 1whq n GLU 74 Ca -0.09 0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.51 1whq n GLU 74 Cb 0.59 -1.31 -0.14 0.00 -0.57 0.00 0.00 31.44 30.02 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 -2.29 0.37 -0.06 2.62 1.01 -1.15 -4.96 120.40 115.94 1whq s VAL 75 Ca -0.08 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1whq s VAL 75 Cb 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1whq s VAL 75 CO 0.47 0.01 0.48 -0.54 0.00 0.00 0.00 175.10 175.52 1whq s LYS 76 N -0.37 4.23 0.46 2.72 -0.14 -1.26 -3.97 119.74 121.42 1whq s LYS 76 Ca -0.01 0.49 0.22 0.00 -1.36 0.00 0.00 55.97 55.31 1whq s LYS 76 Cb -0.03 -3.36 1.21 0.00 -1.68 0.00 0.00 37.83 33.97 1whq s LYS 76 CO -0.00 0.34 1.89 1.03 -0.76 0.00 0.00 175.35 177.84 1whq h SER 77 N 5.99 0.26 0.00 2.83 0.87 -1.96 0.14 113.55 121.68 1whq h SER 77 Ca -0.44 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1whq h SER 77 Cb 1.19 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1whq h SER 77 CO 0.71 0.11 0.48 1.05 -0.53 0.00 0.00 176.83 178.64 1whq h GLU 78 N 0.26 0.00 0.05 2.24 -0.00 -2.02 0.23 114.58 115.35 1whq h GLU 78 Ca 0.42 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 59.42 1whq h GLU 78 Cb 1.25 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.95 1whq h GLU 78 CO -0.11 0.00 -2.21 0.39 -0.00 0.00 0.00 179.01 177.08 1whq n GLU 79 N -2.76 0.69 -2.07 1.06 1.02 0.47 -4.94 120.64 114.11 1whq n GLU 79 Ca -0.02 0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.90 1whq n GLU 79 Cb 0.51 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 1whq n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1whq s VAL 80 N -2.54 2.73 0.52 2.62 1.01 0.82 -4.99 120.40 120.58 1whq s VAL 80 Ca -0.24 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1whq s VAL 80 Cb 0.08 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1whq s VAL 80 CO 0.72 0.12 1.14 -2.16 0.00 0.00 0.00 175.10 174.92 1whq s PRO 81 N -0.91 3.47 -0.02 2.72 0.04 -1.26 -4.95 135.00 134.08 1whq s PRO 81 Ca 0.55 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1whq s PRO 81 Cb -0.41 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1whq s PRO 81 CO 0.47 -0.76 0.26 0.00 0.04 0.00 0.00 177.00 177.00 1whq s ALA 82 N -1.71 3.83 -0.42 8.56 0.00 -1.26 -5.07 121.76 125.69 1whq s ALA 82 Ca 0.70 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 1whq s ALA 82 Cb -0.25 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1whq s ALA 82 CO 0.29 0.62 0.39 0.54 0.00 0.00 0.00 175.76 177.60 1whq s VAL 83 N -1.21 5.15 0.00 0.00 0.11 -1.26 -4.81 120.40 118.38 1whq s VAL 83 Ca 0.24 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1whq s VAL 83 Cb -0.13 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1whq s VAL 83 CO 0.13 -0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 1whq n GLY 84 N 5.13 1.48 3.78 6.54 0.00 -1.26 -5.09 105.19 115.77 1whq n GLY 84 Ca -0.09 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1whq n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whq s ILE 85 N 0.00 4.22 -0.29 -0.61 1.09 -1.26 -5.05 121.20 119.30 1whq s ILE 85 Ca 0.00 1.83 -0.24 0.00 -1.10 0.00 0.00 60.65 61.14 1whq s ILE 85 Cb 0.00 -4.08 0.17 0.00 -1.06 0.00 0.00 42.46 37.49 1whq s ILE 85 CO 0.00 0.25 1.28 0.54 -0.10 0.00 0.00 174.94 176.92 1whq s VAL 86 N -1.48 0.00 -0.34 2.92 0.11 -1.26 -5.12 120.40 115.23 1whq s VAL 86 Ca 0.46 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.23 1whq s VAL 86 Cb -0.20 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 1whq s VAL 86 CO 0.26 0.00 1.69 -2.16 -3.33 0.00 0.00 175.10 171.55 1whq s PRO 87 N 0.23 3.44 0.66 1.54 0.04 -1.26 -4.99 135.00 134.65 1whq s PRO 87 Ca 0.04 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 1whq s PRO 87 Cb -0.05 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1whq s PRO 87 CO -0.12 -1.73 1.11 -1.25 0.04 0.00 0.00 177.00 175.04 1whq s PRO 88 N 5.39 2.79 1.09 0.56 0.04 -1.26 -5.04 135.00 138.57 1whq s PRO 88 Ca 0.75 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 63.02 1whq s PRO 88 Cb -0.21 -1.95 0.23 0.00 0.04 0.00 0.00 34.50 32.62 1whq s PRO 88 CO 0.33 -1.26 1.10 -1.25 0.04 0.00 0.00 177.00 175.96 1whq s PRO 89 N -4.11 -0.30 -0.16 0.56 0.04 -1.26 -5.04 135.00 124.74 1whq s PRO 89 Ca 0.67 0.27 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 1whq s PRO 89 Cb -0.20 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1whq s PRO 89 CO 0.42 -3.17 -0.20 0.45 0.04 0.00 0.00 177.00 174.54 1whq n SER 90 N -4.44 1.16 -4.23 6.66 2.88 -1.26 -5.06 113.62 109.34 1whq n SER 90 Ca 0.08 0.18 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 1whq n SER 90 Cb 0.58 -0.45 -0.11 0.00 -0.75 0.00 0.00 64.21 63.48 1whq n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whq s GLY 91 N -5.29 1.03 0.19 0.46 0.00 -1.26 -5.13 107.32 97.33 1whq s GLY 91 Ca -0.22 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 1whq s GLY 91 CO 0.28 -1.27 1.31 2.56 0.00 0.00 0.00 173.10 175.98 1whq s PRO 92 N -2.40 4.39 -0.30 2.90 0.04 -1.26 -4.94 135.00 133.43 1whq s PRO 92 Ca 0.06 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1whq s PRO 92 Cb -0.06 -3.20 0.50 0.00 0.04 0.00 0.00 34.50 31.77 1whq s PRO 92 CO 0.03 -0.25 1.44 -1.13 0.04 0.00 0.00 177.00 177.13 1whq n SER 93 N 2.69 2.60 -4.55 6.66 3.41 -1.26 -4.96 113.62 118.21 1whq n SER 93 Ca 0.06 -3.81 -0.40 0.00 -0.26 0.00 0.00 58.87 54.46 1whq n SER 93 Cb 0.43 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 1whq n SER 93 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whq s SER 94 N -2.65 6.15 0.00 4.04 0.01 -1.26 -5.32 113.70 114.67 1whq s SER 94 Ca 0.45 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1whq s SER 94 Cb 0.41 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1whq s SER 94 CO -0.01 -1.82 0.00 0.61 0.41 0.00 0.00 173.24 172.43