#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 5.99 -0.12 1.61 0.15 -1.26 -4.92 113.70 115.14 1whq s SER -2 Ca 0.00 -2.03 -0.08 0.00 0.70 0.00 0.00 55.95 54.54 1whq s SER -2 Cb 0.00 -2.10 -0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1whq s SER -2 CO 0.00 -0.72 0.14 0.28 1.20 0.00 0.00 173.24 174.14 1whq h SER -1 N 8.43 0.00 -3.93 5.45 0.02 -2.08 -3.46 113.55 117.98 1whq h SER -1 Ca -0.19 -0.23 -0.50 0.00 -0.84 0.00 0.00 61.79 60.03 1whq h SER -1 Cb 1.07 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.65 1whq h SER -1 CO 0.90 0.68 0.49 -0.83 -1.14 0.00 0.00 176.83 176.93 1whq s GLY 0 N -3.84 2.87 0.43 -3.77 0.00 -1.26 -4.95 107.32 96.80 1whq s GLY 0 Ca -0.07 0.92 -0.21 0.00 0.00 0.00 0.00 44.72 45.35 1whq s GLY 0 CO 0.20 1.43 0.22 -1.14 0.00 0.00 0.00 173.10 173.80 1whq n SER 1 N 0.19 -2.30 -4.81 1.64 3.41 -1.26 -4.91 113.62 105.58 1whq n SER 1 Ca 0.04 0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 59.09 1whq n SER 1 Cb 0.47 -0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 1whq n SER 1 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whq s SER 2 N -1.00 6.54 0.00 4.04 0.15 -1.26 -4.06 113.70 118.12 1whq s SER 2 Ca 0.61 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1whq s SER 2 Cb -0.60 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1whq s SER 2 CO 0.61 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.92 1whq n GLY 3 N 2.48 0.65 0.12 9.45 0.00 -1.26 -4.86 105.19 111.78 1whq n GLY 3 Ca -0.15 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 1.56 -0.24 -0.61 0.13 -1.26 -4.38 119.36 114.56 1whq n ILE 4 Ca 0.00 -0.69 0.04 0.00 -1.10 0.00 0.00 62.75 61.00 1whq n ILE 4 Cb 0.00 -1.23 0.15 0.00 -0.84 0.00 0.00 39.64 37.72 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 0.02 0.12 -0.66 9.51 3.11 -1.89 0.49 116.57 127.28 1whq h LYS 5 Ca -0.49 -0.01 0.14 0.00 -2.81 0.00 0.00 60.65 57.49 1whq h LYS 5 Cb 2.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 33.19 1whq h LYS 5 CO 0.01 0.08 0.45 -0.97 -2.81 0.00 0.00 179.45 176.21 1whq h ASN 6 N 0.13 0.26 0.52 4.20 -1.24 -1.77 0.79 115.58 118.47 1whq h ASN 6 Ca 0.39 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.39 1whq h ASN 6 Cb 0.67 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.69 1whq h ASN 6 CO -0.61 0.14 -0.25 0.15 -1.29 0.00 0.00 177.43 175.57 1whq h PHE 7 N 0.28 -0.65 0.13 0.67 3.57 -0.23 -1.67 116.94 119.04 1whq h PHE 7 Ca 0.32 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1whq h PHE 7 Cb 0.86 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1whq h PHE 7 CO -0.00 -0.40 -0.22 1.25 -2.23 0.00 0.00 178.31 176.71 1whq h LEU 8 N -0.98 -0.60 0.01 0.59 5.85 -1.14 0.17 115.31 119.22 1whq h LEU 8 Ca -0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1whq h LEU 8 Cb 0.54 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1whq h LEU 8 CO 0.12 -0.30 -0.09 0.22 -0.34 0.00 0.00 178.44 178.05 1whq h TYR 9 N -0.41 -0.25 -1.01 1.25 3.20 -0.96 0.20 116.97 118.98 1whq h TYR 9 Ca 0.02 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.17 1whq h TYR 9 Cb 0.43 0.11 -0.13 0.00 1.54 0.00 0.00 36.73 38.67 1whq h TYR 9 CO -0.20 -0.09 0.60 0.00 -1.64 0.00 0.00 178.16 176.83 1whq h ALA 10 N -1.38 1.90 -0.14 1.82 0.00 -1.29 0.14 119.26 120.31 1whq h ALA 10 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1whq h ALA 10 Cb 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1whq h ALA 10 CO -0.05 -0.41 0.07 2.35 0.00 0.00 0.00 179.25 181.21 1whq h TRP 11 N 0.49 0.20 -0.31 0.00 7.01 -0.14 -2.62 115.95 120.59 1whq h TRP 11 Ca 0.67 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.63 1whq h TRP 11 Cb 1.40 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.39 1whq h TRP 11 CO -0.01 0.24 0.07 0.00 -2.79 0.00 0.00 178.44 175.95 1whq h GLY 13 N 0.34 1.54 1.16 0.00 0.00 -0.75 0.12 103.07 105.48 1whq h GLY 13 Ca 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1whq h GLY 13 CO 0.00 -0.11 0.51 0.50 0.00 0.00 0.00 176.54 177.44 1whq h LYS 14 N 0.59 1.11 -0.76 4.80 1.79 -1.31 -0.80 116.57 122.00 1whq h LYS 14 Ca 0.52 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1whq h LYS 14 Cb 0.84 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1whq h LYS 14 CO -0.42 0.77 0.00 0.54 -1.08 0.00 0.00 179.45 179.26 1whq n ARG 15 N -4.38 2.44 -3.62 3.15 1.74 0.20 -4.87 116.66 111.32 1whq n ARG 15 Ca 0.09 -1.23 -0.22 0.00 -0.77 0.00 0.00 57.85 55.72 1whq n ARG 15 Cb 0.05 -1.73 0.06 0.00 -1.02 0.00 0.00 32.46 29.83 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 0.27 -6.36 -4.29 5.56 4.01 -0.30 -5.00 118.16 112.04 1whq n LYS 16 Ca 0.11 0.74 -0.20 0.00 -0.51 0.00 0.00 58.31 58.45 1whq n LYS 16 Cb 0.58 -5.64 -0.11 0.00 -0.51 0.00 0.00 35.03 29.35 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 -5.98 1.15 -0.29 1.97 -1.94 0.10 -4.99 119.30 109.33 1whq s MET 17 Ca 0.26 -1.32 -0.01 0.00 -1.71 0.00 0.00 55.69 52.91 1whq s MET 17 Cb -0.12 -1.12 0.09 0.00 2.01 0.00 0.00 34.83 35.69 1whq s MET 17 CO 0.77 0.22 0.09 0.99 -0.01 0.00 0.00 175.02 177.08 1whq s THR 18 N -2.09 0.76 0.19 2.05 2.01 -1.26 -3.08 115.64 114.22 1whq s THR 18 Ca 0.12 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 1whq s THR 18 Cb -0.05 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.85 1whq s THR 18 CO 0.05 -0.60 1.31 -2.16 -0.69 0.00 0.00 174.62 172.52 1whq s PRO 19 N 1.69 4.39 -0.11 4.92 0.04 -1.26 -4.88 135.00 139.78 1whq s PRO 19 Ca 0.08 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1whq s PRO 19 Cb -0.17 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1whq s PRO 19 CO -0.24 -0.26 0.17 0.00 0.04 0.00 0.00 177.00 176.71 1whq s ALA 20 N 0.21 3.85 -0.15 8.56 0.00 -1.10 -4.95 121.76 128.18 1whq s ALA 20 Ca 0.57 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1whq s ALA 20 Cb -0.36 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1whq s ALA 20 CO 0.37 0.58 -0.19 0.71 0.00 0.00 0.00 175.76 177.23 1whq s TYR 21 N -0.97 2.56 -0.10 0.00 1.51 -1.26 -2.73 117.35 116.36 1whq s TYR 21 Ca 0.16 -1.40 0.04 0.00 -1.01 0.00 0.00 57.07 54.86 1whq s TYR 21 Cb -0.13 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1whq s TYR 21 CO 0.05 -0.68 -0.22 -2.00 -1.11 0.00 0.00 175.55 171.59 1whq s GLU 22 N 1.10 3.06 -0.10 -0.62 2.12 -0.83 -4.98 118.70 118.44 1whq s GLU 22 Ca -0.01 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 1whq s GLU 22 Cb -0.14 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 1whq s GLU 22 CO -0.07 0.21 -0.06 0.42 -0.54 0.00 0.00 175.26 175.21 1whq s ILE 23 N 0.29 3.75 0.28 -3.70 1.01 -1.26 -1.93 121.20 119.63 1whq s ILE 23 Ca -0.16 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.15 1whq s ILE 23 Cb -0.17 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1whq s ILE 23 CO 0.08 0.56 -0.16 -0.60 0.00 0.00 0.00 174.94 174.82 1whq s ARG 24 N -0.32 1.63 -0.19 2.79 6.06 -0.63 -4.98 118.95 123.32 1whq s ARG 24 Ca 0.05 -1.77 -0.02 0.00 -2.50 0.00 0.00 55.73 51.49 1whq s ARG 24 Cb -0.12 -1.60 -0.00 0.00 0.06 0.00 0.00 34.95 33.28 1whq s ARG 24 CO 0.02 0.25 -0.09 0.00 -2.50 0.00 0.00 175.30 172.98 1whq s ALA 25 N -2.64 2.68 0.27 6.12 0.00 -1.26 -2.39 121.76 124.53 1whq s ALA 25 Ca 0.29 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1whq s ALA 25 Cb -0.02 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1whq s ALA 25 CO 0.14 -0.24 0.27 0.14 0.00 0.00 0.00 175.76 176.06 1whq s VAL 26 N 1.15 0.00 0.00 0.00 -7.23 -0.93 -5.02 120.40 108.38 1whq s VAL 26 Ca 0.01 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1whq s VAL 26 Cb -0.14 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1whq s VAL 26 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1whq n GLY 27 N -0.45 1.85 3.74 2.32 0.00 -1.26 -0.20 105.19 111.18 1whq n GLY 27 Ca 0.03 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1whq n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1whq s ASN 28 N 0.00 3.98 0.27 1.61 2.47 0.17 -4.78 114.94 118.66 1whq s ASN 28 Ca 0.00 1.84 -0.01 0.00 0.42 0.00 0.00 52.86 55.11 1whq s ASN 28 Cb 0.00 -2.48 0.61 0.00 -1.45 0.00 0.00 41.25 37.94 1whq s ASN 28 CO 0.00 -2.37 1.65 0.07 -3.72 0.00 0.00 177.10 172.73 1whq h LYS 29 N -1.36 0.18 0.04 0.43 2.10 -2.02 -1.38 116.57 114.56 1whq h LYS 29 Ca -0.45 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.09 1whq h LYS 29 Cb 1.25 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1whq h LYS 29 CO 0.50 0.12 -0.45 -0.97 -2.00 0.00 0.00 179.45 176.65 1whq h ASN 30 N 0.19 0.32 -2.94 7.07 -0.73 -2.01 -3.40 115.58 114.08 1whq h ASN 30 Ca 0.50 -0.87 -0.73 0.00 1.87 0.00 0.00 56.30 57.08 1whq h ASN 30 Cb 0.97 -0.10 -0.21 0.00 0.27 0.00 0.00 38.32 39.25 1whq h ASN 30 CO -0.65 1.15 0.54 -0.13 -0.37 0.00 0.00 177.43 177.97 1whq s ARG 31 N -2.76 3.57 0.04 6.67 0.52 -0.53 -5.03 118.95 121.44 1whq s ARG 31 Ca -0.15 -1.99 -0.16 0.00 -0.52 0.00 0.00 55.73 52.91 1whq s ARG 31 Cb 0.01 -4.71 -0.06 0.00 0.52 0.00 0.00 34.95 30.71 1whq s ARG 31 CO 0.78 -1.59 0.47 -1.14 0.02 0.00 0.00 175.30 173.84 1whq s GLN 32 N 1.79 4.01 0.10 3.54 2.00 -1.20 -0.66 119.66 129.24 1whq s GLN 32 Ca 0.26 0.51 0.02 0.00 -2.00 0.00 0.00 55.36 54.16 1whq s GLN 32 Cb -0.08 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.50 1whq s GLN 32 CO -0.08 0.65 -0.07 0.21 -0.50 0.00 0.00 175.29 175.50 1whq s LYS 33 N -1.21 0.82 -0.18 1.67 2.47 0.72 -4.66 119.74 119.38 1whq s LYS 33 Ca 0.27 -1.28 0.00 0.00 -1.56 0.00 0.00 55.97 53.40 1whq s LYS 33 Cb -0.17 -0.25 0.04 0.00 -1.46 0.00 0.00 37.83 35.99 1whq s LYS 33 CO 0.16 -0.00 -0.08 -0.06 0.16 0.00 0.00 175.35 175.52 1whq s PHE 34 N -3.34 2.04 -0.40 4.03 0.08 -0.53 -2.18 117.98 117.68 1whq s PHE 34 Ca 0.10 -1.30 -0.15 0.00 0.12 0.00 0.00 56.93 55.70 1whq s PHE 34 Cb 0.03 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1whq s PHE 34 CO -0.04 -0.67 0.32 -1.64 -0.10 0.00 0.00 175.22 173.09 1whq s MET 35 N 1.52 3.08 -0.09 0.44 -1.94 -1.01 -2.33 119.30 118.97 1whq s MET 35 Ca 0.00 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.04 1whq s MET 35 Cb -0.15 -3.95 -0.04 0.00 2.01 0.00 0.00 34.83 32.70 1whq s MET 35 CO -0.08 -0.73 0.08 0.00 -0.01 0.00 0.00 175.02 174.28 1whq s GLU 37 N -1.10 0.41 0.05 0.00 2.02 -0.81 0.44 118.70 119.71 1whq s GLU 37 Ca 0.16 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.70 1whq s GLU 37 Cb -0.12 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.86 1whq s GLU 37 CO 0.05 0.04 -0.17 0.54 0.02 0.00 0.00 175.26 175.74 1whq s VAL 38 N -0.93 1.40 0.02 2.63 0.11 -0.94 -1.97 120.40 120.72 1whq s VAL 38 Ca -0.07 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1whq s VAL 38 Cb -0.07 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1whq s VAL 38 CO -0.00 0.05 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.66 1whq s ARG 39 N -1.31 0.30 -0.04 1.54 0.52 -1.11 -2.36 118.95 116.51 1whq s ARG 39 Ca 0.04 -0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1whq s ARG 39 Cb -0.09 -0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.41 1whq s ARG 39 CO 0.02 -0.02 0.05 0.08 0.02 0.00 0.00 175.30 175.45 1whq s VAL 40 N -1.14 -0.05 0.17 3.52 1.01 -1.26 -2.69 120.40 119.96 1whq s VAL 40 Ca -0.11 0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.88 1whq s VAL 40 Cb -0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 36.38 35.98 1whq s VAL 40 CO -0.01 0.16 0.97 1.21 0.00 0.00 0.00 175.10 177.43 1whq n GLU 41 N 4.93 0.75 0.00 2.72 2.13 -1.26 -1.68 120.64 128.23 1whq n GLU 41 Ca -0.11 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1whq n GLU 41 Cb 0.50 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 1.81 3.07 3.88 8.31 0.00 -1.26 -5.03 105.19 115.97 1whq n GLY 42 Ca 0.16 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.59 3.53 -0.16 1.61 0.08 -0.67 -5.01 117.98 116.77 1whq s PHE 43 Ca 0.00 0.70 0.01 0.00 0.12 0.00 0.00 56.93 57.77 1whq s PHE 43 Cb 0.00 -2.11 -0.23 0.00 -0.57 0.00 0.00 43.02 40.12 1whq s PHE 43 CO 0.00 0.47 0.20 0.09 -0.10 0.00 0.00 175.22 175.88 1whq n ASN 44 N 0.54 1.67 -4.76 1.36 3.02 -1.26 -4.65 115.26 111.19 1whq n ASN 44 Ca -0.05 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1whq n ASN 44 Cb 0.52 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1whq s TYR 45 N -2.55 3.16 -0.06 3.10 5.04 -1.26 -5.03 117.35 119.75 1whq s TYR 45 Ca -0.22 1.36 0.05 0.00 -2.44 0.00 0.00 57.07 55.82 1whq s TYR 45 Cb 0.07 -3.63 -0.01 0.00 0.35 0.00 0.00 41.96 38.75 1whq s TYR 45 CO 0.73 -1.80 -0.23 0.00 -1.34 0.00 0.00 175.55 172.92 1whq s ALA 46 N -0.72 1.98 0.23 3.97 0.00 -1.26 -4.76 121.76 121.20 1whq s ALA 46 Ca 0.51 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1whq s ALA 46 Cb -0.38 -0.64 -0.10 0.00 0.00 0.00 0.00 23.12 21.99 1whq s ALA 46 CO 0.47 0.36 1.49 0.20 0.00 0.00 0.00 175.76 178.28 1whq s GLY 47 N -0.03 2.12 -0.15 0.00 0.00 -0.99 -4.84 107.32 103.42 1whq s GLY 47 Ca -0.06 1.37 -0.04 0.00 0.00 0.00 0.00 44.72 45.99 1whq s GLY 47 CO 0.04 2.40 -0.02 1.06 0.00 0.00 0.00 173.10 176.57 1whq s MET 48 N -0.03 3.58 -0.04 2.90 -1.94 -1.26 -2.20 119.30 120.31 1whq s MET 48 Ca 0.62 -0.48 0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1whq s MET 48 Cb -0.43 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.50 1whq s MET 48 CO 0.41 0.33 -0.09 0.20 -0.01 0.00 0.00 175.02 175.86 1whq s GLY 49 N 0.14 0.56 -0.05 -0.03 0.00 0.17 -3.64 107.32 104.48 1whq s GLY 49 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 1whq s GLY 49 CO 0.02 0.09 0.03 0.54 0.00 0.00 0.00 173.10 173.78 1whq s ASN 50 N 0.47 1.12 -0.17 1.64 2.20 -1.26 -0.02 114.94 118.91 1whq s ASN 50 Ca -0.08 0.00 -0.28 0.00 -0.94 0.00 0.00 52.86 51.56 1whq s ASN 50 Cb -0.12 -0.26 0.10 0.00 -2.00 0.00 0.00 41.25 38.98 1whq s ASN 50 CO 0.01 -0.20 0.85 -0.55 -2.94 0.00 0.00 177.10 174.28 1whq s SER 51 N 1.84 -0.55 0.48 3.54 0.15 -0.99 -4.77 113.70 113.40 1whq s SER 51 Ca 0.02 0.80 0.18 0.00 0.70 0.00 0.00 55.95 57.64 1whq s SER 51 Cb -0.12 0.72 1.18 0.00 -1.71 0.00 0.00 66.02 66.08 1whq s SER 51 CO -0.03 -0.37 2.00 0.71 1.20 0.00 0.00 173.24 176.75 1whq h THR 52 N 3.19 0.85 -2.45 6.45 1.35 -1.85 -1.40 112.91 119.05 1whq h THR 52 Ca -0.25 -0.08 -0.54 0.00 -0.55 0.00 0.00 66.41 64.99 1whq h THR 52 Cb 1.16 0.60 -0.07 0.00 -1.73 0.00 0.00 68.15 68.12 1whq h THR 52 CO 0.24 0.04 -0.56 0.54 -0.25 0.00 0.00 175.52 175.53 1whq s ASN 53 N -6.33 5.38 -0.02 5.36 4.22 -1.26 -4.39 114.94 117.90 1whq s ASN 53 Ca -0.06 -0.25 -0.26 0.00 -2.14 0.00 0.00 52.86 50.15 1whq s ASN 53 Cb 0.19 -1.34 -0.20 0.00 1.28 0.00 0.00 41.25 41.18 1whq s ASN 53 CO 0.73 0.02 1.25 0.11 -2.04 0.00 0.00 177.10 177.17 1whq h LYS 54 N 1.98 0.02 -0.63 3.55 1.57 -1.93 -2.48 116.57 118.65 1whq h LYS 54 Ca -0.48 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.35 1whq h LYS 54 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 1whq h LYS 54 CO 0.61 0.53 -0.52 -0.22 -0.57 0.00 0.00 179.45 179.28 1whq h LYS 55 N -0.48 -0.18 0.15 3.15 1.63 -1.96 -0.09 116.57 118.79 1whq h LYS 55 Ca 0.00 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1whq h LYS 55 Cb 0.52 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1whq h LYS 55 CO 0.00 -0.12 -0.17 -0.44 -3.45 0.00 0.00 179.45 175.28 1whq h ASP 56 N -0.19 -0.45 -0.86 4.20 5.19 -1.95 -2.62 116.42 119.74 1whq h ASP 56 Ca 0.10 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.67 1whq h ASP 56 Cb 0.46 0.16 -0.13 0.00 0.18 0.00 0.00 39.33 40.00 1whq h ASP 56 CO -0.69 -0.25 -0.46 0.00 -3.12 0.00 0.00 179.24 174.72 1whq h ALA 57 N 0.46 -0.20 -0.68 3.45 0.00 -0.78 0.38 119.26 121.88 1whq h ALA 57 Ca 0.01 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1whq h ALA 57 Cb 0.34 1.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1whq h ALA 57 CO -0.06 -0.79 0.30 1.96 0.00 0.00 0.00 179.25 180.67 1whq h GLN 58 N -0.08 0.50 -0.72 0.00 4.20 -0.88 -1.22 115.11 116.91 1whq h GLN 58 Ca 0.24 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1whq h GLN 58 Cb 0.53 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1whq h GLN 58 CO -0.88 0.33 0.43 0.77 -0.67 0.00 0.00 178.83 178.81 1whq h SER 59 N 0.51 0.87 0.37 1.46 0.02 -0.04 -2.58 113.55 114.16 1whq h SER 59 Ca 0.34 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1whq h SER 59 Cb 0.40 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1whq h SER 59 CO -0.30 0.68 -0.19 0.78 -1.14 0.00 0.00 176.83 176.67 1whq h ASN 60 N 0.98 -0.46 -0.16 3.07 2.35 0.42 0.38 115.58 122.17 1whq h ASN 60 Ca 0.26 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 1whq h ASN 60 Cb -0.02 0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 1whq h ASN 60 CO -0.05 -0.32 -0.50 0.00 -1.65 0.00 0.00 177.43 174.91 1whq h ALA 61 N 0.12 -0.77 0.31 -0.83 0.00 -1.15 0.16 119.26 117.10 1whq h ALA 61 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1whq h ALA 61 Cb 0.40 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1whq h ALA 61 CO 0.07 -1.03 -0.32 0.00 0.00 0.00 0.00 179.25 177.97 1whq h ALA 62 N -0.12 -0.68 -1.11 0.00 0.00 -1.42 -1.36 119.26 114.57 1whq h ALA 62 Ca 0.05 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.18 1whq h ALA 62 Cb 0.66 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1whq h ALA 62 CO -0.44 -0.92 0.82 -0.09 0.00 0.00 0.00 179.25 178.62 1whq h ARG 63 N -0.67 0.00 0.19 0.00 9.65 -0.54 -1.51 114.38 121.49 1whq h ARG 63 Ca -0.02 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1whq h ARG 63 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1whq h ARG 63 CO -0.07 0.00 -0.09 0.22 2.80 0.00 0.00 179.97 182.83 1whq h ASP 64 N 0.00 -0.21 -1.14 -3.80 3.58 0.15 -3.23 116.42 111.76 1whq h ASP 64 Ca 0.53 0.01 0.35 0.00 0.42 0.00 0.00 57.03 58.33 1whq h ASP 64 Cb 2.15 0.06 -0.12 0.00 1.72 0.00 0.00 39.33 43.14 1whq h ASP 64 CO -0.01 -0.04 0.72 0.15 -2.88 0.00 0.00 179.24 177.18 1whq h PHE 65 N -0.48 0.67 -0.93 0.28 3.57 -0.89 0.51 116.94 119.68 1whq h PHE 65 Ca -0.03 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1whq h PHE 65 Cb 0.19 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.67 1whq h PHE 65 CO 0.06 -0.11 0.56 0.28 -2.23 0.00 0.00 178.31 176.88 1whq h VAL 66 N 0.25 0.89 -0.71 1.41 2.07 -1.35 -0.74 116.25 118.08 1whq h VAL 66 Ca 0.72 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.88 1whq h VAL 66 Cb 1.97 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1whq h VAL 66 CO -0.42 0.16 0.21 -0.55 0.02 0.00 0.00 177.57 176.99 1whq h ASN 67 N 0.88 1.03 -0.51 0.57 7.08 0.01 -2.64 115.58 122.00 1whq h ASN 67 Ca 0.47 -0.19 -0.03 0.00 -3.08 0.00 0.00 56.30 53.47 1whq h ASN 67 Cb 0.49 -0.27 -0.02 0.00 -2.08 0.00 0.00 38.32 36.44 1whq h ASN 67 CO -0.28 0.96 0.21 0.22 -2.08 0.00 0.00 177.43 176.46 1whq h TYR 68 N 1.05 0.77 0.01 4.14 3.20 -1.08 -2.56 116.97 122.50 1whq h TYR 68 Ca 0.23 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1whq h TYR 68 Cb 0.31 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1whq h TYR 68 CO 0.02 0.63 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.00 1whq h LEU 69 N 0.68 -0.29 -0.66 2.82 3.38 -1.11 -1.83 115.31 118.29 1whq h LEU 69 Ca 0.17 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1whq h LEU 69 Cb 0.18 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1whq h LEU 69 CO -0.02 -0.15 0.26 0.58 0.09 0.00 0.00 178.44 179.20 1whq h VAL 70 N -0.18 0.73 0.07 1.22 2.07 -1.37 0.23 116.25 119.03 1whq h VAL 70 Ca 0.04 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1whq h VAL 70 Cb 0.22 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1whq h VAL 70 CO -0.10 0.08 -0.11 0.03 0.02 0.00 0.00 177.57 177.49 1whq h ARG 71 N 0.43 -0.22 0.00 1.57 2.47 -1.04 -0.48 114.38 117.11 1whq h ARG 71 Ca 0.34 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 1whq h ARG 71 Cb 0.46 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1whq h ARG 71 CO -0.34 -0.15 0.00 0.44 0.56 0.00 0.00 179.97 180.48 1whq n ILE 72 N -5.24 0.21 -2.55 2.04 -5.35 -0.72 -4.82 119.36 102.93 1whq n ILE 72 Ca -0.07 0.05 -0.12 0.00 -0.27 0.00 0.00 62.75 62.35 1whq n ILE 72 Cb 0.16 -0.81 0.01 0.00 -1.74 0.00 0.00 39.64 37.26 1whq n ILE 72 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1whq n ASN 73 N -1.10 -3.86 -0.01 7.28 2.85 -0.19 -4.93 115.26 115.31 1whq n ASN 73 Ca 0.10 -0.12 -0.02 0.00 -0.11 0.00 0.00 54.58 54.43 1whq n ASN 73 Cb 0.07 -2.84 -0.11 0.00 1.24 0.00 0.00 39.78 38.14 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1whq n GLU 74 N -2.36 0.64 -3.74 1.20 4.71 0.67 -4.92 120.64 116.84 1whq n GLU 74 Ca -0.08 0.14 -0.12 0.00 -0.01 0.00 0.00 57.16 57.09 1whq n GLU 74 Cb 0.57 -1.72 -0.13 0.00 -1.01 0.00 0.00 31.44 29.16 1whq n GLU 74 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1whq s VAL 75 N -2.85 -0.03 0.36 2.62 1.01 -1.22 -4.95 120.40 115.33 1whq s VAL 75 Ca -0.05 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1whq s VAL 75 Cb 0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 36.00 1whq s VAL 75 CO 0.83 0.05 0.82 -0.54 0.00 0.00 0.00 175.10 176.25 1whq s LYS 76 N 1.01 4.10 0.38 2.72 3.01 -1.26 -3.62 119.74 126.09 1whq s LYS 76 Ca -0.07 0.85 0.18 0.00 -1.01 0.00 0.00 55.97 55.92 1whq s LYS 76 Cb -0.08 -2.37 0.75 0.00 -1.01 0.00 0.00 37.83 35.12 1whq s LYS 76 CO -0.07 0.10 1.78 0.66 0.51 0.00 0.00 175.35 178.33 1whq h SER 77 N 2.19 0.00 -0.02 2.83 4.64 -1.96 -2.86 113.55 118.37 1whq h SER 77 Ca -0.48 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1whq h SER 77 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1whq h SER 77 CO 0.64 0.36 0.28 -0.33 -0.87 0.00 0.00 176.83 176.91 1whq h GLU 78 N 0.00 0.00 0.00 4.77 4.39 -2.02 0.13 114.58 121.84 1whq h GLU 78 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1whq h GLU 78 Cb 0.81 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.40 1whq h GLU 78 CO 0.05 0.00 -2.17 0.39 -1.16 0.00 0.00 179.01 176.12 1whq n GLU 79 N -2.98 0.67 -1.99 2.33 -0.58 -1.08 -4.95 120.64 112.06 1whq n GLU 79 Ca -0.02 0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 1whq n GLU 79 Cb 0.34 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 1whq n GLU 79 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1whq s VAL 80 N -2.57 2.47 0.43 2.62 1.01 0.43 -4.97 120.40 119.82 1whq s VAL 80 Ca -0.08 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 1whq s VAL 80 Cb 0.07 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 1whq s VAL 80 CO 0.83 0.10 1.18 -2.16 0.00 0.00 0.00 175.10 175.05 1whq s PRO 81 N -1.55 3.88 -0.12 2.72 0.04 -1.26 -4.99 135.00 133.72 1whq s PRO 81 Ca 0.53 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1whq s PRO 81 Cb -0.43 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 1whq s PRO 81 CO 0.54 -0.46 -0.04 0.00 0.04 0.00 0.00 177.00 177.08 1whq s ALA 82 N -1.48 3.07 -1.38 8.56 0.00 -1.26 -4.97 121.76 124.29 1whq s ALA 82 Ca 0.61 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1whq s ALA 82 Cb -0.30 -1.46 0.22 0.00 0.00 0.00 0.00 23.12 21.58 1whq s ALA 82 CO 0.37 0.39 0.99 1.55 0.00 0.00 0.00 175.76 179.06 1whq n VAL 83 N 2.88 1.05 0.00 0.00 3.14 -1.26 -4.89 118.33 119.26 1whq n VAL 83 Ca -0.18 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1whq n VAL 83 Cb 0.53 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 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 2.30 3.87 7.55 0.00 -1.26 -5.04 105.19 111.68 1whq n GLY 84 Ca 0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 4.75 -0.67 -0.61 -4.36 -1.26 -5.05 121.20 114.00 1whq s ILE 85 Ca 0.00 0.70 0.05 0.00 -0.26 0.00 0.00 60.65 61.14 1whq s ILE 85 Cb 0.00 -3.73 0.17 0.00 1.25 0.00 0.00 42.46 40.14 1whq s ILE 85 CO 0.00 -0.56 0.46 -0.69 0.24 0.00 0.00 174.94 174.40 1whq s VAL 86 N -2.42 2.67 0.54 8.37 1.01 -1.26 -5.10 120.40 124.21 1whq s VAL 86 Ca 0.52 -4.08 -0.20 0.00 0.00 0.00 0.00 61.98 58.23 1whq s VAL 86 Cb -0.10 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1whq s VAL 86 CO 0.32 -1.01 1.13 -2.16 0.00 0.00 0.00 175.10 173.38 1whq s PRO 87 N -1.24 3.38 0.97 2.72 0.04 -1.26 -5.03 135.00 134.57 1whq s PRO 87 Ca 0.25 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1whq s PRO 87 Cb -0.06 -2.03 0.17 0.00 0.04 0.00 0.00 34.50 32.63 1whq s PRO 87 CO -0.15 -0.83 1.09 -1.25 0.04 0.00 0.00 177.00 175.90 1whq s PRO 88 N -3.25 0.69 0.41 0.56 0.04 -1.26 -4.95 135.00 127.24 1whq s PRO 88 Ca 0.72 0.62 0.20 0.00 0.04 0.00 0.00 61.00 62.58 1whq s PRO 88 Cb -0.24 -1.76 0.88 0.00 0.04 0.00 0.00 34.50 33.42 1whq s PRO 88 CO 0.27 -2.58 1.83 -1.00 0.04 0.00 0.00 177.00 175.57 1whq h PRO 89 N -1.79 0.00 -6.03 0.56 0.13 -2.02 -3.45 132.00 119.40 1whq h PRO 89 Ca -0.53 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.37 1whq h PRO 89 Cb 1.31 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.57 1whq h PRO 89 CO 0.56 0.30 -0.37 -1.13 -0.23 0.00 0.00 178.00 177.14 1whq n SER 90 N -3.63 -2.94 0.00 1.44 3.41 -1.26 -4.73 113.62 105.91 1whq n SER 90 Ca -0.01 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1whq n SER 90 Cb 0.42 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1whq n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whq n GLY 91 N 2.47 -0.53 0.00 5.00 0.00 -1.26 -4.95 105.19 105.92 1whq n GLY 91 Ca 0.05 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.29 1whq n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whq n PRO 92 N 0.00 0.49 -3.83 1.61 -0.04 -1.26 -4.74 135.00 127.22 1whq n PRO 92 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1whq n PRO 92 Cb 0.00 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 1whq n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1whq s SER 93 N -1.87 -0.12 -0.34 3.54 0.01 -1.26 -5.10 113.70 108.55 1whq s SER 93 Ca 0.17 -0.64 -0.28 0.00 1.31 0.00 0.00 55.95 56.51 1whq s SER 93 Cb 0.08 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 1whq s SER 93 CO 0.13 -0.97 2.05 -0.94 0.41 0.00 0.00 173.24 173.91 1whq s SER 94 N -2.91 5.46 0.00 2.44 1.04 -1.26 -4.92 113.70 113.54 1whq s SER 94 Ca 0.12 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1whq s SER 94 Cb 0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1whq s SER 94 CO -0.02 -2.04 0.00 0.61 0.98 0.00 0.00 173.24 172.77