#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 0.44 -0.07 1.61 2.88 -1.26 -4.80 113.62 112.42 1whq n SER -2 Ca 0.00 0.36 -0.06 0.00 -1.33 0.00 0.00 58.87 57.84 1whq n SER -2 Cb 0.00 -0.77 -0.04 0.00 -0.75 0.00 0.00 64.21 62.65 1whq n SER -2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1whq h SER -1 N 8.93 0.00 -4.74 -3.46 0.02 -2.13 -3.51 113.55 108.67 1whq h SER -1 Ca -0.06 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1whq h SER -1 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1whq h SER -1 CO 1.05 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 178.14 1whq n GLY 0 N 1.66 3.71 3.84 -3.77 0.00 -1.26 -5.17 105.19 104.19 1whq n GLY 0 Ca -0.08 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1whq n GLY 0 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whq s SER 1 N 0.00 -0.26 0.17 1.61 1.04 -1.26 -5.13 113.70 109.86 1whq s SER 1 Ca 0.00 -0.57 -0.33 0.00 0.48 0.00 0.00 55.95 55.53 1whq s SER 1 Cb 0.00 0.70 -0.15 0.00 0.10 0.00 0.00 66.02 66.67 1whq s SER 1 CO 0.00 -1.29 1.34 -1.20 0.98 0.00 0.00 173.24 173.06 1whq n SER 2 N -0.46 2.07 -3.54 7.02 7.64 -1.26 -4.97 113.62 120.12 1whq n SER 2 Ca -0.05 1.13 -0.17 0.00 1.01 0.00 0.00 58.87 60.79 1whq n SER 2 Cb 0.59 -1.30 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 1whq n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whq s GLY 3 N 0.33 -0.54 0.35 0.23 0.00 -1.26 -5.03 107.32 101.40 1whq s GLY 3 Ca 0.75 1.20 0.07 0.00 0.00 0.00 0.00 44.72 46.74 1whq s GLY 3 CO 0.48 0.86 1.86 1.19 0.00 0.00 0.00 173.10 177.49 1whq h ILE 4 N 3.04 1.21 -0.57 0.90 6.09 -1.93 -2.49 117.51 123.75 1whq h ILE 4 Ca -0.27 -0.91 0.11 0.00 -1.37 0.00 0.00 64.86 62.41 1whq h ILE 4 Cb 1.15 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 39.61 1whq h ILE 4 CO 0.39 0.29 0.39 0.07 -3.07 0.00 0.00 178.15 176.22 1whq h LYS 5 N 0.32 0.29 0.00 2.19 5.09 -1.92 0.25 116.57 122.78 1whq h LYS 5 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1whq h LYS 5 Cb 0.44 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 32.71 1whq h LYS 5 CO 0.03 0.19 0.00 0.09 -2.09 0.00 0.00 179.45 177.67 1whq n ASN 6 N -4.45 0.63 -0.09 7.07 3.02 -0.94 -1.32 115.26 119.19 1whq n ASN 6 Ca 0.10 0.74 -0.12 0.00 -0.03 0.00 0.00 54.58 55.26 1whq n ASN 6 Cb 0.43 -0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 1whq n ASN 6 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1whq n PHE 7 N -2.29 0.80 -0.12 3.10 7.35 0.86 -3.91 117.46 123.25 1whq n PHE 7 Ca -0.00 0.35 -0.06 0.00 -0.76 0.00 0.00 57.45 56.98 1whq n PHE 7 Cb 0.11 -0.86 0.02 0.00 0.35 0.00 0.00 39.48 39.10 1whq n PHE 7 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1whq h LEU 8 N -1.00 0.21 -0.31 -2.13 5.85 -1.41 -0.35 115.31 116.17 1whq h LEU 8 Ca -0.15 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1whq h LEU 8 Cb 0.88 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1whq h LEU 8 CO -0.09 0.16 -0.28 0.22 -0.34 0.00 0.00 178.44 178.11 1whq h TYR 9 N 0.34 -0.75 0.79 1.25 3.20 -1.42 0.44 116.97 120.82 1whq h TYR 9 Ca 0.18 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1whq h TYR 9 Cb 0.12 0.38 0.01 0.00 1.54 0.00 0.00 36.73 38.78 1whq h TYR 9 CO -0.13 -0.35 -0.38 0.00 -1.64 0.00 0.00 178.16 175.67 1whq h ALA 10 N 0.79 -1.13 -1.00 1.82 0.00 -1.60 0.75 119.26 118.89 1whq h ALA 10 Ca 0.16 -0.23 0.37 0.00 0.00 0.00 0.00 54.91 55.20 1whq h ALA 10 Cb 0.50 0.41 -0.17 0.00 0.00 0.00 0.00 17.79 18.53 1whq h ALA 10 CO -0.46 -1.05 0.52 2.35 0.00 0.00 0.00 179.25 180.61 1whq h TRP 11 N -1.21 0.82 -0.02 0.00 7.01 -0.88 0.35 115.95 122.02 1whq h TRP 11 Ca -0.11 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.88 1whq h TRP 11 Cb 0.81 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1whq h TRP 11 CO 0.02 -0.34 -0.20 0.00 -2.79 0.00 0.00 178.44 175.13 1whq h GLY 13 N -0.45 0.74 1.93 0.00 0.00 0.20 0.81 103.07 106.30 1whq h GLY 13 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1whq h GLY 13 CO 0.04 0.15 -0.12 0.50 0.00 0.00 0.00 176.54 177.11 1whq h LYS 14 N 0.55 0.09 -0.93 4.80 1.79 -0.74 -1.82 116.57 120.31 1whq h LYS 14 Ca 0.29 -0.02 -0.41 0.00 -2.18 0.00 0.00 60.65 58.33 1whq h LYS 14 Cb 0.41 -0.02 -0.25 0.00 -1.58 0.00 0.00 32.23 30.80 1whq h LYS 14 CO -0.09 0.22 0.52 0.54 -1.08 0.00 0.00 179.45 179.57 1whq n ARG 15 N -4.35 2.62 -3.72 3.15 1.74 -0.18 -4.89 116.66 111.03 1whq n ARG 15 Ca -0.02 -2.90 -0.24 0.00 -0.77 0.00 0.00 57.85 53.92 1whq n ARG 15 Cb 0.22 -2.15 0.05 0.00 -1.02 0.00 0.00 32.46 29.56 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 -0.79 -6.01 -4.30 5.56 5.02 -0.68 -4.99 118.16 111.96 1whq n LYS 16 Ca 0.52 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 57.28 1whq n LYS 16 Cb 1.55 -5.53 -0.12 0.00 -0.02 0.00 0.00 35.03 30.91 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1whq s MET 17 N -6.19 1.18 -0.28 1.97 -1.94 0.10 -4.99 119.30 109.15 1whq s MET 17 Ca 0.36 -1.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.04 1whq s MET 17 Cb -0.17 -1.30 0.09 0.00 2.01 0.00 0.00 34.83 35.46 1whq s MET 17 CO 0.79 0.28 0.10 0.99 -0.01 0.00 0.00 175.02 177.17 1whq s THR 18 N -1.67 0.53 0.32 2.05 2.01 -1.26 -2.69 115.64 114.92 1whq s THR 18 Ca 0.11 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 1whq s THR 18 Cb -0.07 -1.35 -0.10 0.00 0.01 0.00 0.00 72.50 70.98 1whq s THR 18 CO 0.05 -0.62 1.22 -2.16 -0.69 0.00 0.00 174.62 172.43 1whq s PRO 19 N 1.81 4.43 0.13 4.92 0.04 -1.26 -4.82 135.00 140.24 1whq s PRO 19 Ca 0.08 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.21 1whq s PRO 19 Cb -0.17 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1whq s PRO 19 CO -0.26 -0.06 0.05 0.00 0.04 0.00 0.00 177.00 176.77 1whq s ALA 20 N -1.17 3.39 -0.01 8.56 0.00 -1.09 -5.00 121.76 126.44 1whq s ALA 20 Ca 0.48 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1whq s ALA 20 Cb -0.36 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1whq s ALA 20 CO 0.48 0.60 -0.07 0.71 0.00 0.00 0.00 175.76 177.48 1whq s TYR 21 N -1.54 0.63 0.03 0.00 1.51 -1.26 -3.10 117.35 113.62 1whq s TYR 21 Ca 0.28 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1whq s TYR 21 Cb -0.11 -0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1whq s TYR 21 CO 0.20 -0.01 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.57 1whq s GLU 22 N -0.14 0.44 0.08 -0.62 2.56 -1.04 -5.00 118.70 114.98 1whq s GLU 22 Ca 0.02 -0.68 0.06 0.00 0.00 0.00 0.00 54.97 54.38 1whq s GLU 22 Cb -0.03 -0.15 -0.03 0.00 2.00 0.00 0.00 34.13 35.92 1whq s GLU 22 CO -0.00 0.02 -0.16 0.42 -0.56 0.00 0.00 175.26 174.97 1whq s ILE 23 N -1.35 1.30 0.06 -3.70 1.01 -1.26 -2.17 121.20 115.09 1whq s ILE 23 Ca -0.12 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 1whq s ILE 23 Cb -0.10 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1whq s ILE 23 CO -0.00 -0.20 -0.00 -0.13 0.00 0.00 0.00 174.94 174.61 1whq s ARG 24 N -1.87 0.65 -0.14 2.79 1.81 0.57 -4.96 118.95 117.80 1whq s ARG 24 Ca 0.01 -1.21 -0.00 0.00 -1.72 0.00 0.00 55.73 52.81 1whq s ARG 24 Cb -0.10 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.62 1whq s ARG 24 CO 0.03 -0.13 -0.13 0.00 -0.68 0.00 0.00 175.30 174.38 1whq s ALA 25 N -3.92 2.60 0.27 2.13 0.00 -1.26 -1.31 121.76 120.27 1whq s ALA 25 Ca 0.08 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1whq s ALA 25 Cb 0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1whq s ALA 25 CO -0.09 0.15 0.24 0.14 0.00 0.00 0.00 175.76 176.19 1whq s VAL 26 N 0.52 0.00 0.00 0.00 -7.23 -0.31 -4.99 120.40 108.39 1whq s VAL 26 Ca -0.09 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1whq s VAL 26 Cb -0.16 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1whq s VAL 26 CO 0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1whq n GLY 27 N -0.45 0.47 3.89 2.32 0.00 -1.26 0.02 105.19 110.19 1whq n GLY 27 Ca 0.04 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.80 2.95 0.19 1.61 0.01 0.86 -4.81 114.94 114.96 1whq s ASN 28 Ca 0.00 0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 52.37 1whq s ASN 28 Cb 0.00 -0.42 0.13 0.00 0.41 0.00 0.00 41.25 41.37 1whq s ASN 28 CO 0.00 -2.84 1.85 0.07 -1.51 0.00 0.00 177.10 174.67 1whq h LYS 29 N -1.72 0.81 0.14 -0.60 2.10 -2.01 -2.85 116.57 112.43 1whq h LYS 29 Ca -0.45 -0.05 -0.29 0.00 -2.00 0.00 0.00 60.65 57.86 1whq h LYS 29 Cb 1.25 -0.18 0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1whq h LYS 29 CO 0.39 0.54 -1.26 -0.97 -2.00 0.00 0.00 179.45 176.15 1whq h ASN 30 N 0.83 0.71 -4.01 7.07 -0.73 -2.01 -3.40 115.58 114.04 1whq h ASN 30 Ca 0.24 -0.69 -0.73 0.00 1.87 0.00 0.00 56.30 56.99 1whq h ASN 30 Cb -0.05 -0.22 -0.31 0.00 0.27 0.00 0.00 38.32 38.00 1whq h ASN 30 CO -0.07 1.51 -0.18 -0.13 -0.37 0.00 0.00 177.43 178.19 1whq s ARG 31 N -2.85 2.99 -0.03 6.67 0.52 -1.08 -5.06 118.95 120.10 1whq s ARG 31 Ca -0.07 -2.51 -0.06 0.00 -0.52 0.00 0.00 55.73 52.57 1whq s ARG 31 Cb 0.06 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 1whq s ARG 31 CO 0.91 -1.22 0.22 -1.14 0.02 0.00 0.00 175.30 174.09 1whq s GLN 32 N 0.02 3.53 0.06 3.54 0.74 -1.19 -0.10 119.66 126.27 1whq s GLN 32 Ca 0.17 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.48 1whq s GLN 32 Cb -0.16 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 1whq s GLN 32 CO -0.06 0.69 -0.05 0.21 -0.55 0.00 0.00 175.29 175.53 1whq s LYS 33 N -1.55 0.65 -0.17 1.67 2.47 0.10 -4.65 119.74 118.26 1whq s LYS 33 Ca 0.24 -1.11 0.01 0.00 -1.56 0.00 0.00 55.97 53.55 1whq s LYS 33 Cb -0.13 -0.07 0.03 0.00 -1.46 0.00 0.00 37.83 36.21 1whq s LYS 33 CO 0.13 -0.03 -0.13 -0.06 0.16 0.00 0.00 175.35 175.42 1whq s PHE 34 N -3.03 2.32 -0.13 4.03 0.08 -0.66 -1.16 117.98 119.43 1whq s PHE 34 Ca 0.03 -1.42 -0.12 0.00 0.12 0.00 0.00 56.93 55.54 1whq s PHE 34 Cb 0.01 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1whq s PHE 34 CO -0.05 -0.71 0.25 -1.64 -0.10 0.00 0.00 175.22 172.97 1whq s MET 35 N 1.43 4.01 0.11 0.44 -1.94 -0.43 -2.91 119.30 120.02 1whq s MET 35 Ca 0.02 0.04 0.08 0.00 -1.71 0.00 0.00 55.69 54.12 1whq s MET 35 Cb -0.14 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 1whq s MET 35 CO -0.10 0.44 -0.19 0.00 -0.01 0.00 0.00 175.02 175.16 1whq s GLU 37 N -2.11 0.52 -0.03 0.00 2.02 -0.92 -2.02 118.70 116.16 1whq s GLU 37 Ca 0.07 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.58 1whq s GLU 37 Cb -0.09 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1whq s GLU 37 CO 0.04 -0.13 -0.04 0.54 0.02 0.00 0.00 175.26 175.70 1whq s VAL 38 N -1.72 0.45 0.01 2.63 0.11 -0.90 -2.50 120.40 118.48 1whq s VAL 38 Ca -0.12 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 1whq s VAL 38 Cb -0.06 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1whq s VAL 38 CO -0.00 0.19 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.67 1whq s ARG 39 N 0.65 1.17 -0.08 1.54 0.52 -1.18 -2.01 118.95 119.56 1whq s ARG 39 Ca -0.08 -0.64 -0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1whq s ARG 39 Cb -0.11 -1.16 0.02 0.00 0.52 0.00 0.00 34.95 34.22 1whq s ARG 39 CO -0.00 0.31 -0.05 0.08 0.02 0.00 0.00 175.30 175.66 1whq s VAL 40 N -0.54 0.70 0.26 3.52 1.01 -1.26 -2.69 120.40 121.41 1whq s VAL 40 Ca 0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1whq s VAL 40 Cb -0.07 -0.76 -0.15 0.00 0.00 0.00 0.00 36.38 35.41 1whq s VAL 40 CO 0.00 0.30 0.96 1.21 0.00 0.00 0.00 175.10 177.57 1whq n GLU 41 N 4.67 1.13 0.00 2.72 2.13 -1.26 -1.72 120.64 128.30 1whq n GLU 41 Ca -0.15 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1whq n GLU 41 Cb 0.50 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.48 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 1.44 3.01 3.98 8.31 0.00 -1.26 -5.03 105.19 115.64 1whq n GLY 42 Ca 0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.66 3.27 -0.17 1.61 0.08 -0.70 -5.04 117.98 115.37 1whq s PHE 43 Ca 0.00 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.01 1whq s PHE 43 Cb 0.00 -1.82 -0.16 0.00 -0.57 0.00 0.00 43.02 40.48 1whq s PHE 43 CO 0.00 0.18 -0.06 0.27 -0.10 0.00 0.00 175.22 175.51 1whq n ASN 44 N -1.55 1.88 -4.77 1.36 0.23 -1.26 -4.75 115.26 106.40 1whq n ASN 44 Ca -0.04 -0.05 -0.38 0.00 -0.53 0.00 0.00 54.58 53.58 1whq n ASN 44 Cb 0.58 0.29 -0.00 0.00 -2.08 0.00 0.00 39.78 38.56 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1whq s TYR 45 N -2.38 2.78 -0.29 -2.53 5.04 -1.26 -5.02 117.35 113.69 1whq s TYR 45 Ca -0.17 1.47 -0.01 0.00 -2.44 0.00 0.00 57.07 55.92 1whq s TYR 45 Cb 0.06 -3.55 0.09 0.00 0.35 0.00 0.00 41.96 38.90 1whq s TYR 45 CO 0.53 -1.92 0.08 0.00 -1.34 0.00 0.00 175.55 172.90 1whq s ALA 46 N -1.39 1.51 0.28 3.97 0.00 -1.26 -4.60 121.76 120.27 1whq s ALA 46 Ca 0.62 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1whq s ALA 46 Cb -0.34 -1.56 -0.12 0.00 0.00 0.00 0.00 23.12 21.10 1whq s ALA 46 CO 0.42 -1.57 0.14 0.41 0.00 0.00 0.00 175.76 175.17 1whq n GLY 47 N 4.86 -1.94 2.99 0.00 0.00 -0.85 -4.55 105.19 105.69 1whq n GLY 47 Ca -0.03 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1whq n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1whq s MET 48 N -0.77 0.99 -0.04 1.61 -1.94 -1.26 -2.13 119.30 115.76 1whq s MET 48 Ca 0.47 -0.29 -0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1whq s MET 48 Cb -0.55 -0.92 0.03 0.00 2.01 0.00 0.00 34.83 35.40 1whq s MET 48 CO 0.47 0.08 0.09 0.20 -0.01 0.00 0.00 175.02 175.85 1whq s GLY 49 N 0.31 0.00 -0.03 -0.03 0.00 -0.85 -4.14 107.32 102.58 1whq s GLY 49 Ca -0.05 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.12 1whq s GLY 49 CO 0.01 0.66 -0.11 0.54 0.00 0.00 0.00 173.10 174.20 1whq s ASN 50 N 0.81 1.47 -0.19 1.64 2.20 -1.26 -0.99 114.94 118.62 1whq s ASN 50 Ca -0.06 -0.23 -0.31 0.00 -0.94 0.00 0.00 52.86 51.31 1whq s ASN 50 Cb -0.09 -0.44 0.15 0.00 -2.00 0.00 0.00 41.25 38.87 1whq s ASN 50 CO -0.03 0.08 1.15 -0.55 -2.94 0.00 0.00 177.10 174.80 1whq s SER 51 N 0.24 -0.21 0.60 3.54 0.15 -1.15 -4.77 113.70 112.12 1whq s SER 51 Ca -0.05 0.14 0.34 0.00 0.70 0.00 0.00 55.95 57.08 1whq s SER 51 Cb -0.10 0.19 1.94 0.00 -1.71 0.00 0.00 66.02 66.34 1whq s SER 51 CO 0.01 -0.25 2.26 0.71 1.20 0.00 0.00 173.24 177.17 1whq h THR 52 N 2.19 0.37 -3.83 6.45 1.35 -1.86 -1.76 112.91 115.82 1whq h THR 52 Ca -0.13 -0.09 -0.68 0.00 -0.55 0.00 0.00 66.41 64.96 1whq h THR 52 Cb 1.18 1.06 -0.20 0.00 -1.73 0.00 0.00 68.15 68.46 1whq h THR 52 CO 0.26 0.02 -0.79 0.54 -0.25 0.00 0.00 175.52 175.29 1whq s ASN 53 N -5.85 3.93 0.09 5.36 4.22 -1.26 -4.53 114.94 116.89 1whq s ASN 53 Ca -0.05 -0.45 -0.17 0.00 -2.14 0.00 0.00 52.86 50.06 1whq s ASN 53 Cb 0.14 -0.64 -0.09 0.00 1.28 0.00 0.00 41.25 41.95 1whq s ASN 53 CO 0.51 0.22 1.44 0.11 -2.04 0.00 0.00 177.10 177.35 1whq h LYS 54 N 4.18 0.57 -0.33 3.55 1.57 -1.91 -2.56 116.57 121.64 1whq h LYS 54 Ca -0.49 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.07 1whq h LYS 54 Cb 1.16 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1whq h LYS 54 CO 0.48 0.83 -0.19 1.63 -0.57 0.00 0.00 179.45 181.62 1whq n LYS 55 N -4.43 -0.15 0.20 3.15 4.76 -1.26 -0.38 118.16 120.06 1whq n LYS 55 Ca -0.04 1.14 -0.15 0.00 -2.87 0.00 0.00 58.31 56.39 1whq n LYS 55 Cb 0.37 -1.69 -0.08 0.00 -1.84 0.00 0.00 35.03 31.79 1whq n LYS 55 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1whq h ASP 56 N 0.00 -0.39 -0.98 4.39 3.58 -1.98 -2.48 116.42 118.57 1whq h ASP 56 Ca 0.05 -0.01 0.37 0.00 0.42 0.00 0.00 57.03 57.86 1whq h ASP 56 Cb 0.14 0.10 -0.18 0.00 1.72 0.00 0.00 39.33 41.11 1whq h ASP 56 CO -0.31 -0.24 0.37 0.00 -2.88 0.00 0.00 179.24 176.17 1whq n ALA 57 N -2.31 0.85 0.10 -0.78 0.00 -0.70 -0.31 120.51 117.36 1whq n ALA 57 Ca -0.10 1.01 -0.11 0.00 0.00 0.00 0.00 53.44 54.23 1whq n ALA 57 Cb 0.21 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 1whq n ALA 57 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whq h GLN 58 N 0.00 -0.30 -0.95 0.00 1.08 -0.41 -2.74 115.11 111.80 1whq h GLN 58 Ca 0.76 0.02 0.19 0.00 -1.45 0.00 0.00 58.65 58.16 1whq h GLN 58 Cb 1.89 0.07 -0.11 0.00 -0.05 0.00 0.00 27.48 29.28 1whq h GLN 58 CO -0.80 0.08 0.53 1.03 -0.95 0.00 0.00 178.83 178.72 1whq h SER 59 N -0.84 0.65 0.04 1.46 0.87 -0.22 -1.15 113.55 114.36 1whq h SER 59 Ca -0.03 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1whq h SER 59 Cb 0.51 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1whq h SER 59 CO 0.05 0.22 -0.02 0.78 -0.53 0.00 0.00 176.83 177.33 1whq h ASN 60 N 0.67 -0.05 -0.03 6.23 2.35 -0.69 -2.56 115.58 121.50 1whq h ASN 60 Ca 0.55 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 56.24 1whq h ASN 60 Cb 0.87 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.22 1whq h ASN 60 CO -0.40 0.04 -0.34 0.00 -1.65 0.00 0.00 177.43 175.08 1whq h ALA 61 N 0.82 -0.76 -0.39 -0.83 0.00 -0.90 0.15 119.26 117.35 1whq h ALA 61 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1whq h ALA 61 Cb 0.12 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1whq h ALA 61 CO 0.01 -0.87 -0.44 0.00 0.00 0.00 0.00 179.25 177.95 1whq h ALA 62 N -0.78 -0.64 -0.23 0.00 0.00 -1.47 -2.03 119.26 114.10 1whq h ALA 62 Ca 0.01 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1whq h ALA 62 Cb 0.44 1.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 1whq h ALA 62 CO -0.25 -0.87 -0.49 -0.09 0.00 0.00 0.00 179.25 177.55 1whq h ARG 63 N -0.27 -0.46 -0.93 0.00 9.65 -1.23 -0.50 114.38 120.65 1whq h ARG 63 Ca 0.07 0.03 0.25 0.00 -1.10 0.00 0.00 59.98 59.23 1whq h ARG 63 Cb 0.45 0.11 -0.17 0.00 -1.39 0.00 0.00 29.97 28.96 1whq h ARG 63 CO -0.51 -0.31 -0.00 -0.25 2.80 0.00 0.00 179.97 181.70 1whq n ASP 64 N -5.42 -0.13 0.04 -3.80 9.92 0.52 0.22 116.55 117.91 1whq n ASP 64 Ca -0.04 1.58 -0.05 0.00 -0.53 0.00 0.00 54.79 55.75 1whq n ASP 64 Cb 0.36 -0.57 0.15 0.00 -0.64 0.00 0.00 41.12 40.43 1whq n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1whq h PHE 65 N 0.00 0.48 -0.65 1.24 3.04 -0.50 -2.98 116.94 117.57 1whq h PHE 65 Ca 0.55 -0.14 0.01 0.00 3.98 0.00 0.00 57.97 62.37 1whq h PHE 65 Cb 1.12 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 1whq h PHE 65 CO -0.49 0.77 0.43 0.28 -2.02 0.00 0.00 178.31 177.27 1whq h VAL 66 N 0.33 1.16 -0.46 1.41 2.07 0.41 -2.32 116.25 118.84 1whq h VAL 66 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1whq h VAL 66 Cb 0.90 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1whq h VAL 66 CO 0.07 0.16 0.22 0.78 0.02 0.00 0.00 177.57 178.82 1whq h ASN 67 N 0.86 0.60 -0.29 0.57 2.35 -1.11 -2.47 115.58 116.10 1whq h ASN 67 Ca 0.24 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1whq h ASN 67 Cb -0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1whq h ASN 67 CO -0.05 0.56 0.13 0.22 -1.65 0.00 0.00 177.43 176.64 1whq h TYR 68 N 0.59 0.47 -0.02 1.19 3.20 -1.46 -2.55 116.97 118.39 1whq h TYR 68 Ca 0.16 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1whq h TYR 68 Cb 0.12 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1whq h TYR 68 CO -0.01 0.38 0.01 -0.07 -1.64 0.00 0.00 178.16 176.84 1whq h LEU 69 N 0.48 0.03 -0.75 2.82 3.38 -1.05 -2.34 115.31 117.87 1whq h LEU 69 Ca 0.12 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1whq h LEU 69 Cb 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1whq h LEU 69 CO -0.01 0.11 0.48 0.58 0.09 0.00 0.00 178.44 179.69 1whq h VAL 70 N -0.05 1.11 0.05 1.22 2.07 -1.22 0.48 116.25 119.91 1whq h VAL 70 Ca 0.01 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1whq h VAL 70 Cb 0.09 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1whq h VAL 70 CO -0.00 0.17 -0.20 0.03 0.02 0.00 0.00 177.57 177.59 1whq h ARG 71 N 0.93 -0.33 0.00 1.57 3.08 -1.27 0.45 114.38 118.81 1whq h ARG 71 Ca 0.30 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1whq h ARG 71 Cb 0.02 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1whq h ARG 71 CO -0.11 -0.22 0.00 0.44 -1.07 0.00 0.00 179.97 179.01 1whq n ILE 72 N -5.32 0.63 -2.91 2.04 -5.35 -0.90 -4.83 119.36 102.71 1whq n ILE 72 Ca -0.06 0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.49 1whq n ILE 72 Cb 0.24 -0.97 0.03 0.00 -1.74 0.00 0.00 39.64 37.20 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 -1.25 -3.63 -0.01 7.28 3.02 0.15 -4.95 115.26 115.88 1whq n ASN 73 Ca 0.06 -0.22 0.07 0.00 -0.03 0.00 0.00 54.58 54.45 1whq n ASN 73 Cb 0.08 -2.36 -0.11 0.00 -0.61 0.00 0.00 39.78 36.78 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 -2.35 0.54 -3.84 3.52 -0.58 0.11 -4.96 120.64 113.08 1whq n GLU 74 Ca -0.01 -0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.44 1whq n GLU 74 Cb 0.53 -1.32 -0.16 0.00 -0.57 0.00 0.00 31.44 29.91 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 -2.94 0.09 -0.05 2.62 1.01 -1.20 -4.95 120.40 114.99 1whq s VAL 75 Ca -0.05 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1whq s VAL 75 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1whq s VAL 75 CO 0.58 0.15 1.09 -0.54 0.00 0.00 0.00 175.10 176.38 1whq s LYS 76 N 1.27 4.43 0.39 2.72 1.02 -1.26 -3.98 119.74 124.33 1whq s LYS 76 Ca -0.06 1.54 0.17 0.00 0.02 0.00 0.00 55.97 57.63 1whq s LYS 76 Cb -0.13 -3.50 1.07 0.00 -0.52 0.00 0.00 37.83 34.74 1whq s LYS 76 CO -0.02 -0.30 1.77 0.66 -0.92 0.00 0.00 175.35 176.54 1whq h SER 77 N 7.11 0.48 -1.24 2.83 4.64 -1.95 0.16 113.55 125.58 1whq h SER 77 Ca -0.35 0.09 0.37 0.00 -0.47 0.00 0.00 61.79 61.42 1whq h SER 77 Cb 1.17 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 1whq h SER 77 CO 0.84 0.10 0.83 -0.33 -0.87 0.00 0.00 176.83 177.40 1whq h GLU 78 N 0.42 0.16 0.13 4.77 4.39 -2.02 0.40 114.58 122.84 1whq h GLU 78 Ca 0.59 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.96 1whq h GLU 78 Cb 1.45 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1whq h GLU 78 CO -0.31 0.11 -1.61 0.93 -1.16 0.00 0.00 179.01 176.97 1whq h GLU 79 N 0.17 0.28 -6.65 2.33 4.39 -1.07 -3.46 114.58 110.57 1whq h GLU 79 Ca 0.69 -0.48 -0.52 0.00 0.34 0.00 0.00 59.36 59.39 1whq h GLU 79 Cb 2.22 0.18 0.05 0.00 -0.10 0.00 0.00 28.75 31.10 1whq h GLU 79 CO -0.25 1.15 0.90 0.08 -1.16 0.00 0.00 179.01 179.73 1whq s VAL 80 N -2.60 2.42 0.59 3.13 1.01 0.14 -4.97 120.40 120.11 1whq s VAL 80 Ca -0.11 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 1whq s VAL 80 Cb 0.06 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1whq s VAL 80 CO 0.85 0.03 1.12 -2.16 0.00 0.00 0.00 175.10 174.94 1whq s PRO 81 N 0.84 3.14 0.45 2.72 0.04 -1.26 -4.93 135.00 136.00 1whq s PRO 81 Ca 0.69 1.53 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1whq s PRO 81 Cb -0.45 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1whq s PRO 81 CO 0.34 -1.00 0.65 0.00 0.04 0.00 0.00 177.00 177.03 1whq s ALA 82 N -1.99 3.91 -1.11 8.56 0.00 -1.26 -5.02 121.76 124.86 1whq s ALA 82 Ca 0.71 -1.22 0.22 0.00 0.00 0.00 0.00 51.96 51.67 1whq s ALA 82 Cb -0.23 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1whq s ALA 82 CO 0.33 -0.38 1.05 1.55 0.00 0.00 0.00 175.76 178.30 1whq n VAL 83 N -2.04 0.00 0.00 0.00 3.14 -1.26 -5.07 118.33 113.11 1whq n VAL 83 Ca 0.03 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1whq n VAL 83 Cb 0.58 0.84 0.00 0.00 -1.06 0.00 0.00 33.84 34.21 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 1.49 0.66 3.84 7.55 0.00 -1.26 -5.00 105.19 112.47 1whq n GLY 84 Ca 0.05 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 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 4.58 -0.29 -0.61 -4.36 -1.26 -5.07 121.20 114.18 1whq s ILE 85 Ca 0.00 1.12 -0.22 0.00 -0.26 0.00 0.00 60.65 61.29 1whq s ILE 85 Cb 0.00 -3.63 0.17 0.00 1.25 0.00 0.00 42.46 40.25 1whq s ILE 85 CO 0.00 -0.33 1.23 0.54 0.24 0.00 0.00 174.94 176.62 1whq s VAL 86 N -2.17 0.00 0.51 8.37 0.11 -1.26 -5.17 120.40 120.80 1whq s VAL 86 Ca 0.57 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.41 1whq s VAL 86 Cb -0.10 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.69 1whq s VAL 86 CO 0.19 0.00 1.14 -2.16 -3.33 0.00 0.00 175.10 170.94 1whq s PRO 87 N 0.44 3.49 0.95 1.54 0.04 -1.26 -5.03 135.00 135.18 1whq s PRO 87 Ca 0.01 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 1whq s PRO 87 Cb -0.04 -2.14 0.16 0.00 0.04 0.00 0.00 34.50 32.52 1whq s PRO 87 CO -0.12 -0.75 1.09 -1.25 0.04 0.00 0.00 177.00 176.02 1whq s PRO 88 N -3.08 0.79 0.10 0.56 0.04 -1.26 -4.98 135.00 127.17 1whq s PRO 88 Ca 0.70 0.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 1whq s PRO 88 Cb -0.25 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1whq s PRO 88 CO 0.30 -2.52 1.37 -1.25 0.04 0.00 0.00 177.00 174.94 1whq s PRO 89 N -4.95 4.33 -0.33 0.56 0.04 -1.26 -5.01 135.00 128.38 1whq s PRO 89 Ca 0.64 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.75 1whq s PRO 89 Cb -0.18 -3.29 0.09 0.00 0.04 0.00 0.00 34.50 31.16 1whq s PRO 89 CO 0.57 -0.43 0.03 -1.54 0.04 0.00 0.00 177.00 175.67 1whq s SER 90 N 1.18 4.74 0.20 6.66 1.04 -1.26 -5.06 113.70 121.20 1whq s SER 90 Ca 0.64 -2.02 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1whq s SER 90 Cb -0.36 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1whq s SER 90 CO 0.30 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1whq n GLY 91 N 4.30 -1.79 0.12 7.32 0.00 -1.26 -4.15 105.19 109.72 1whq n GLY 91 Ca 0.01 -1.33 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.91 0.17 -1.53 1.61 -0.04 -1.26 -4.74 135.00 126.31 1whq n PRO 92 Ca -0.00 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.44 1whq n PRO 92 Cb 0.35 -1.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1whq n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whq n SER 93 N -2.15 2.38 -3.22 3.54 7.64 -1.26 -4.94 113.62 115.61 1whq n SER 93 Ca 0.02 0.01 -0.16 0.00 1.01 0.00 0.00 58.87 59.76 1whq n SER 93 Cb 0.22 -1.43 0.10 0.00 -1.01 0.00 0.00 64.21 62.09 1whq n SER 93 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whq n SER 94 N 12.54 0.28 0.00 6.43 3.41 -1.26 -4.82 113.62 130.20 1whq n SER 94 Ca 0.39 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1whq n SER 94 Cb 0.39 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49