#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 -2.93 -0.08 1.61 7.64 -1.26 -4.99 113.62 113.61 1whq n SER -2 Ca 0.00 -0.40 -0.10 0.00 1.01 0.00 0.00 58.87 59.38 1whq n SER -2 Cb 0.00 -0.95 -0.04 0.00 -1.01 0.00 0.00 64.21 62.21 1whq n SER -2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whq n SER -1 N -3.02 1.83 0.00 6.43 2.88 -1.26 -5.11 113.62 115.37 1whq n SER -1 Ca 0.05 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1whq n SER -1 Cb 0.52 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1whq n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whq n GLY 0 N 1.56 4.08 3.50 0.46 0.00 -1.26 -5.17 105.19 108.35 1whq n GLY 0 Ca -0.15 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 -0.64 0.15 1.61 0.15 -1.26 -5.18 113.70 108.53 1whq s SER 1 Ca 0.00 0.57 -0.17 0.00 0.70 0.00 0.00 55.95 57.05 1whq s SER 1 Cb 0.00 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1whq s SER 1 CO 0.00 -0.68 0.46 -0.94 1.20 0.00 0.00 173.24 173.28 1whq s SER 2 N -1.50 -0.27 0.00 5.45 1.04 -1.26 -4.85 113.70 112.31 1whq s SER 2 Ca -0.09 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1whq s SER 2 Cb -0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1whq s SER 2 CO 0.05 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1whq n GLY 3 N -0.28 0.18 0.20 7.32 0.00 -1.26 -4.62 105.19 106.73 1whq n GLY 3 Ca -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 1.24 0.43 -0.61 6.09 -1.97 -3.13 117.51 119.57 1whq h ILE 4 Ca 0.00 -1.16 -0.02 0.00 -1.37 0.00 0.00 64.86 62.31 1whq h ILE 4 Cb 0.00 1.58 0.00 0.00 0.47 0.00 0.00 36.82 38.88 1whq h ILE 4 CO 0.00 0.34 -0.21 0.50 -3.07 0.00 0.00 178.15 175.71 1whq h LYS 5 N 0.05 -0.56 -0.98 2.19 3.11 -1.91 -2.72 116.57 115.75 1whq h LYS 5 Ca 0.01 0.04 0.24 0.00 -2.81 0.00 0.00 60.65 58.12 1whq h LYS 5 Cb 0.60 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 31.88 1whq h LYS 5 CO 0.04 -0.31 0.64 -0.97 -2.81 0.00 0.00 179.45 176.05 1whq h ASN 6 N -0.72 0.40 0.45 4.20 -1.24 -1.80 -0.22 115.58 116.65 1whq h ASN 6 Ca -0.06 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 1whq h ASN 6 Cb 0.51 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1whq h ASN 6 CO 0.10 0.12 -0.22 0.15 -1.29 0.00 0.00 177.43 176.29 1whq h PHE 7 N 0.38 -0.56 -0.53 0.67 3.04 -1.45 0.22 116.94 118.71 1whq h PHE 7 Ca 0.53 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.44 1whq h PHE 7 Cb 1.37 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 40.04 1whq h PHE 7 CO -0.00 -0.31 0.24 1.25 -2.02 0.00 0.00 178.31 177.47 1whq h LEU 8 N -0.68 0.67 0.61 0.59 5.85 -0.98 -0.69 115.31 120.67 1whq h LEU 8 Ca -0.06 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1whq h LEU 8 Cb 0.51 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1whq h LEU 8 CO 0.10 0.58 -0.29 0.22 -0.34 0.00 0.00 178.44 178.71 1whq h TYR 9 N 0.74 -0.76 -0.88 1.25 3.20 -0.88 -1.66 116.97 117.98 1whq h TYR 9 Ca 0.18 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.17 1whq h TYR 9 Cb 0.09 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 1whq h TYR 9 CO 0.01 -0.47 0.49 0.00 -1.64 0.00 0.00 178.16 176.55 1whq h ALA 10 N -1.23 1.33 0.25 1.82 0.00 -0.53 0.14 119.26 121.04 1whq h ALA 10 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1whq h ALA 10 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1whq h ALA 10 CO 0.14 0.01 -0.12 2.35 0.00 0.00 0.00 179.25 181.63 1whq h TRP 11 N 0.74 -0.31 -0.26 0.00 7.01 -1.15 -2.24 115.95 119.74 1whq h TRP 11 Ca 0.46 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.43 1whq h TRP 11 Cb 0.58 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1whq h TRP 11 CO -0.06 -0.15 0.05 0.00 -2.79 0.00 0.00 178.44 175.49 1whq h GLY 13 N 0.60 1.12 2.00 0.00 0.00 -0.40 0.42 103.07 106.82 1whq h GLY 13 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1whq h GLY 13 CO -0.00 0.57 -0.07 0.50 0.00 0.00 0.00 176.54 177.55 1whq h LYS 14 N 1.00 0.00 -0.54 4.80 1.57 -1.01 -1.18 116.57 121.21 1whq h LYS 14 Ca 0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1whq h LYS 14 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1whq h LYS 14 CO -0.02 0.07 0.03 0.54 -0.57 0.00 0.00 179.45 179.50 1whq n ARG 15 N -3.51 4.37 -3.59 3.15 1.74 -0.81 -4.94 116.66 113.08 1whq n ARG 15 Ca -0.02 -3.11 -0.20 0.00 -0.77 0.00 0.00 57.85 53.76 1whq n ARG 15 Cb 0.19 -2.18 0.05 0.00 -1.02 0.00 0.00 32.46 29.50 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 0.29 -5.39 -4.21 5.56 5.02 -0.45 -5.01 118.16 113.98 1whq n LYS 16 Ca 0.28 0.71 -0.16 0.00 -2.02 0.00 0.00 58.31 57.13 1whq n LYS 16 Cb 1.17 -5.43 -0.11 0.00 -0.02 0.00 0.00 35.03 30.64 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 -5.70 0.93 -0.24 1.97 -1.94 0.14 -5.00 119.30 109.46 1whq s MET 17 Ca 0.02 -1.21 -0.04 0.00 -1.71 0.00 0.00 55.69 52.75 1whq s MET 17 Cb -0.00 -0.68 0.08 0.00 2.01 0.00 0.00 34.83 36.24 1whq s MET 17 CO 0.78 0.11 0.10 0.99 -0.01 0.00 0.00 175.02 176.99 1whq s THR 18 N -2.40 0.10 0.50 2.05 2.01 -1.26 -3.44 115.64 113.19 1whq s THR 18 Ca 0.08 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 1whq s THR 18 Cb -0.03 -0.91 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 1whq s THR 18 CO 0.01 -0.49 1.15 -2.16 -0.69 0.00 0.00 174.62 172.44 1whq s PRO 19 N 2.03 3.58 -0.19 4.92 0.04 -1.26 -4.76 135.00 139.37 1whq s PRO 19 Ca 0.05 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 1whq s PRO 19 Cb -0.16 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1whq s PRO 19 CO -0.22 -0.68 -0.12 0.00 0.04 0.00 0.00 177.00 176.03 1whq s ALA 20 N -1.65 2.60 -0.15 8.56 0.00 -0.78 -4.94 121.76 125.40 1whq s ALA 20 Ca 0.68 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1whq s ALA 20 Cb -0.26 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1whq s ALA 20 CO 0.31 -0.29 0.04 0.71 0.00 0.00 0.00 175.76 176.53 1whq s TYR 21 N 1.23 3.21 0.03 0.00 1.51 -1.26 -2.13 117.35 119.95 1whq s TYR 21 Ca 0.03 0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1whq s TYR 21 Cb -0.14 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1whq s TYR 21 CO -0.05 0.22 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.52 1whq s GLU 22 N 0.03 0.58 0.04 -0.62 2.12 -0.77 -5.00 118.70 115.08 1whq s GLU 22 Ca 0.04 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.79 1whq s GLU 22 Cb -0.12 -0.44 -0.03 0.00 0.26 0.00 0.00 34.13 33.80 1whq s GLU 22 CO 0.01 0.10 -0.22 0.42 -0.54 0.00 0.00 175.26 175.03 1whq s ILE 23 N -1.05 1.76 0.10 -3.70 1.01 -1.26 -1.72 121.20 116.34 1whq s ILE 23 Ca -0.05 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.41 1whq s ILE 23 Cb -0.08 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1whq s ILE 23 CO 0.01 0.25 -0.11 -0.13 0.00 0.00 0.00 174.94 174.96 1whq s ARG 24 N -1.16 0.87 -0.31 2.79 0.52 0.11 -4.96 118.95 116.81 1whq s ARG 24 Ca 0.08 -1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 1whq s ARG 24 Cb -0.09 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1whq s ARG 24 CO 0.02 0.10 0.19 0.00 0.02 0.00 0.00 175.30 175.62 1whq s ALA 25 N -2.37 3.42 0.30 2.13 0.00 -1.26 -0.57 121.76 123.41 1whq s ALA 25 Ca 0.06 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1whq s ALA 25 Cb -0.03 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 1whq s ALA 25 CO 0.00 -0.78 0.06 0.14 0.00 0.00 0.00 175.76 175.18 1whq s VAL 26 N 1.69 1.07 0.00 0.00 -7.23 -0.79 -4.98 120.40 110.15 1whq s VAL 26 Ca 0.06 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1whq s VAL 26 Cb -0.17 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1whq s VAL 26 CO 0.09 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1whq n GLY 27 N -0.61 -2.13 3.92 2.32 0.00 -1.26 -0.92 105.19 106.51 1whq n GLY 27 Ca -0.02 -1.96 -0.21 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 -3.39 5.12 0.26 1.61 -0.87 -0.97 -4.89 114.94 111.80 1whq s ASN 28 Ca 0.00 -0.76 -0.03 0.00 -1.57 0.00 0.00 52.86 50.50 1whq s ASN 28 Cb 0.00 -0.36 0.38 0.00 -0.02 0.00 0.00 41.25 41.25 1whq s ASN 28 CO 0.00 -0.81 1.89 0.07 -2.57 0.00 0.00 177.10 175.68 1whq h LYS 29 N 0.82 1.17 -0.26 -0.60 2.10 -2.00 -2.30 116.57 115.49 1whq h LYS 29 Ca -0.39 -0.07 -0.11 0.00 -2.00 0.00 0.00 60.65 58.08 1whq h LYS 29 Cb 1.28 -0.26 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1whq h LYS 29 CO 0.53 0.77 -0.26 -2.95 -2.00 0.00 0.00 179.45 175.54 1whq h ASN 30 N 1.20 0.69 -3.43 7.07 7.08 -2.02 -3.36 115.58 122.80 1whq h ASN 30 Ca 0.42 -0.47 -0.66 0.00 -3.08 0.00 0.00 56.30 52.50 1whq h ASN 30 Cb 0.11 -0.19 -0.38 0.00 -2.08 0.00 0.00 38.32 35.77 1whq h ASN 30 CO -0.16 1.02 -0.36 0.00 -2.08 0.00 0.00 177.43 175.85 1whq s ARG 31 N -4.36 2.77 0.13 4.14 1.70 -0.90 -5.07 118.95 117.36 1whq s ARG 31 Ca -0.13 -3.17 -0.30 0.00 -0.47 0.00 0.00 55.73 51.66 1whq s ARG 31 Cb 0.08 -3.67 -0.07 0.00 -0.57 0.00 0.00 34.95 30.72 1whq s ARG 31 CO 0.82 -1.25 1.23 -1.14 -1.08 0.00 0.00 175.30 173.88 1whq s GLN 32 N -1.17 4.44 0.14 3.89 0.74 -1.00 -2.30 119.66 124.41 1whq s GLN 32 Ca 0.24 1.87 0.06 0.00 0.05 0.00 0.00 55.36 57.58 1whq s GLN 32 Cb -0.09 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 1whq s GLN 32 CO -0.12 -0.20 -0.13 0.15 -0.55 0.00 0.00 175.29 174.44 1whq s LYS 33 N 0.42 1.05 -0.11 1.67 1.02 -0.10 -4.60 119.74 119.09 1whq s LYS 33 Ca 0.57 -1.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.22 1whq s LYS 33 Cb -0.32 -0.82 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1whq s LYS 33 CO 0.33 0.14 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.81 1whq s PHE 34 N -2.56 1.20 0.22 3.18 0.08 -0.88 -1.89 117.98 117.32 1whq s PHE 34 Ca 0.12 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.53 1whq s PHE 34 Cb -0.02 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 1whq s PHE 34 CO 0.03 -0.48 0.45 -1.64 -0.10 0.00 0.00 175.22 173.47 1whq s MET 35 N 1.80 3.58 -0.07 0.44 -1.94 0.27 -2.74 119.30 120.64 1whq s MET 35 Ca 0.04 -0.17 -0.08 0.00 -1.71 0.00 0.00 55.69 53.77 1whq s MET 35 Cb -0.13 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 33.95 1whq s MET 35 CO -0.07 0.35 0.21 0.00 -0.01 0.00 0.00 175.02 175.50 1whq s GLU 37 N -0.09 0.26 -0.04 0.00 -1.05 -0.70 -0.34 118.70 116.72 1whq s GLU 37 Ca -0.02 -0.35 0.03 0.00 -0.15 0.00 0.00 54.97 54.49 1whq s GLU 37 Cb -0.02 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1whq s GLU 37 CO 0.01 -0.05 -0.14 0.54 0.95 0.00 0.00 175.26 176.57 1whq s VAL 38 N -0.95 1.21 0.14 1.83 0.11 0.53 -1.85 120.40 121.42 1whq s VAL 38 Ca -0.10 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 58.47 1whq s VAL 38 Cb -0.06 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1whq s VAL 38 CO -0.00 0.36 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.76 1whq s ARG 39 N 0.20 1.55 -0.03 1.54 0.52 -0.90 -2.23 118.95 119.60 1whq s ARG 39 Ca -0.06 -1.33 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 1whq s ARG 39 Cb -0.12 -1.96 0.02 0.00 0.52 0.00 0.00 34.95 33.41 1whq s ARG 39 CO 0.02 0.45 0.06 0.08 0.02 0.00 0.00 175.30 175.93 1whq s VAL 40 N -1.22 -0.02 0.63 3.52 1.01 -1.26 -1.86 120.40 121.19 1whq s VAL 40 Ca 0.17 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 1whq s VAL 40 Cb -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1whq s VAL 40 CO 0.08 0.03 1.31 -0.70 0.00 0.00 0.00 175.10 175.82 1whq s GLU 41 N 0.48 2.65 0.00 2.72 2.56 -1.26 -2.60 118.70 123.25 1whq s GLU 41 Ca -0.04 2.10 0.00 0.00 0.00 0.00 0.00 54.97 57.03 1whq s GLU 41 Cb -0.05 -1.91 0.00 0.00 2.00 0.00 0.00 34.13 34.16 1whq s GLU 41 CO -0.02 -1.53 0.00 0.41 -0.56 0.00 0.00 175.26 173.56 1whq n GLY 42 N 0.87 2.06 3.95 -1.50 0.00 -1.26 -4.97 105.19 104.34 1whq n GLY 42 Ca 0.15 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.58 3.48 -0.25 1.61 0.08 -1.07 -5.04 117.98 116.20 1whq s PHE 43 Ca 0.00 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.18 1whq s PHE 43 Cb 0.00 -1.66 -0.17 0.00 -0.57 0.00 0.00 43.02 40.62 1whq s PHE 43 CO 0.00 0.48 -0.22 0.27 -0.10 0.00 0.00 175.22 175.65 1whq n ASN 44 N -0.78 1.93 -4.73 1.36 0.23 -1.26 -4.70 115.26 107.31 1whq n ASN 44 Ca -0.07 -0.13 -0.36 0.00 -0.53 0.00 0.00 54.58 53.48 1whq n ASN 44 Cb 0.55 -0.35 0.06 0.00 -2.08 0.00 0.00 39.78 37.96 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 -2.51 2.13 -0.25 -2.53 5.04 -1.26 -5.00 117.35 112.97 1whq s TYR 45 Ca -0.34 1.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.77 1whq s TYR 45 Cb 0.09 -3.63 0.08 0.00 0.35 0.00 0.00 41.96 38.85 1whq s TYR 45 CO 0.60 -2.76 0.07 0.00 -1.34 0.00 0.00 175.55 172.13 1whq s ALA 46 N -1.49 1.13 0.07 3.97 0.00 -1.26 -4.59 121.76 119.59 1whq s ALA 46 Ca 0.81 -1.12 -0.37 0.00 0.00 0.00 0.00 51.96 51.28 1whq s ALA 46 Cb -0.35 -1.38 -0.17 0.00 0.00 0.00 0.00 23.12 21.22 1whq s ALA 46 CO 0.39 -1.44 1.37 0.41 0.00 0.00 0.00 175.76 176.49 1whq n GLY 47 N 5.01 0.51 3.36 0.00 0.00 -0.95 -4.63 105.19 108.50 1whq n GLY 47 Ca -0.06 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.43 1whq n GLY 47 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1whq s MET 48 N 0.68 1.35 -0.20 1.61 0.23 -1.26 -0.35 119.30 121.37 1whq s MET 48 Ca 0.85 -1.40 -0.12 0.00 -1.03 0.00 0.00 55.69 53.98 1whq s MET 48 Cb -0.95 -1.59 0.06 0.00 -1.53 0.00 0.00 34.83 30.82 1whq s MET 48 CO 0.48 0.35 0.49 0.20 -2.03 0.00 0.00 175.02 174.50 1whq s GLY 49 N -2.47 -0.40 -0.06 3.16 0.00 0.53 -4.06 107.32 104.01 1whq s GLY 49 Ca 0.16 1.69 0.06 0.00 0.00 0.00 0.00 44.72 46.62 1whq s GLY 49 CO 0.07 1.73 -0.24 0.54 0.00 0.00 0.00 173.10 175.21 1whq s ASN 50 N 1.21 2.95 -0.28 1.64 4.22 -1.26 -0.87 114.94 122.55 1whq s ASN 50 Ca -0.08 -0.50 -0.24 0.00 -2.14 0.00 0.00 52.86 49.90 1whq s ASN 50 Cb -0.07 -0.90 0.11 0.00 1.28 0.00 0.00 41.25 41.68 1whq s ASN 50 CO -0.11 0.22 0.97 -0.44 -2.04 0.00 0.00 177.10 175.70 1whq s SER 51 N -0.05 -0.51 0.32 3.54 0.01 -1.11 -4.77 113.70 111.14 1whq s SER 51 Ca -0.06 0.97 0.07 0.00 1.31 0.00 0.00 55.95 58.24 1whq s SER 51 Cb -0.14 1.00 0.91 0.00 0.21 0.00 0.00 66.02 68.01 1whq s SER 51 CO 0.04 -0.17 1.59 0.74 0.41 0.00 0.00 173.24 175.85 1whq h THR 52 N 3.78 0.06 -2.05 1.44 2.02 -1.84 -2.35 112.91 113.97 1whq h THR 52 Ca -0.28 -0.01 -0.46 0.00 0.77 0.00 0.00 66.41 66.43 1whq h THR 52 Cb 1.18 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1whq h THR 52 CO 0.10 0.01 -0.40 0.54 0.37 0.00 0.00 175.52 176.14 1whq s ASN 53 N -4.89 6.16 0.05 4.18 2.20 -1.26 -3.66 114.94 117.72 1whq s ASN 53 Ca -0.12 -0.04 -0.15 0.00 -0.94 0.00 0.00 52.86 51.62 1whq s ASN 53 Cb 0.30 -1.62 -0.30 0.00 -2.00 0.00 0.00 41.25 37.64 1whq s ASN 53 CO 0.78 -0.19 1.10 0.11 -2.94 0.00 0.00 177.10 175.95 1whq h LYS 54 N 1.09 0.61 -0.19 3.55 1.57 -1.88 -3.01 116.57 118.32 1whq h LYS 54 Ca -0.50 -0.84 0.02 0.00 -1.87 0.00 0.00 60.65 57.46 1whq h LYS 54 Cb 1.24 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 1whq h LYS 54 CO 0.58 1.39 -0.11 0.87 -0.57 0.00 0.00 179.45 181.60 1whq h LYS 55 N 0.26 -0.01 0.44 3.15 1.57 -1.96 0.23 116.57 120.26 1whq h LYS 55 Ca -0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1whq h LYS 55 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1whq h LYS 55 CO 0.24 -0.00 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.47 1whq h ASP 56 N -0.01 -0.50 -1.49 0.86 3.32 -1.95 -2.67 116.42 113.99 1whq h ASP 56 Ca 0.03 -0.04 0.50 0.00 0.02 0.00 0.00 57.03 57.54 1whq h ASP 56 Cb 0.08 0.13 -0.13 0.00 0.22 0.00 0.00 39.33 39.63 1whq h ASP 56 CO -0.18 -0.27 0.99 0.00 -1.72 0.00 0.00 179.24 178.06 1whq n ALA 57 N -2.41 1.47 0.03 3.45 0.00 -0.94 0.19 120.51 122.29 1whq n ALA 57 Ca -0.11 0.83 -0.20 0.00 0.00 0.00 0.00 53.44 53.97 1whq n ALA 57 Cb 0.27 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 0.71 -0.50 0.00 4.20 -0.22 -3.13 115.11 116.17 1whq h GLN 58 Ca 0.89 -0.72 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 1whq h GLN 58 Cb 3.02 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 30.98 1whq h GLN 58 CO -0.38 1.31 -0.08 0.66 -0.67 0.00 0.00 178.83 179.66 1whq h SER 59 N 0.40 0.90 -0.73 1.46 4.64 0.23 -2.83 113.55 117.61 1whq h SER 59 Ca -0.11 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 60.95 1whq h SER 59 Cb 1.62 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 63.43 1whq h SER 59 CO 0.19 1.00 0.47 0.78 -0.87 0.00 0.00 176.83 178.41 1whq h ASN 60 N 0.82 0.79 0.58 4.97 4.21 -0.92 -1.02 115.58 125.01 1whq h ASN 60 Ca 0.14 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 1whq h ASN 60 Cb 0.60 -0.18 0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1whq h ASN 60 CO 0.04 0.56 -0.28 0.00 -1.29 0.00 0.00 177.43 176.46 1whq h ALA 61 N 1.29 -1.14 -0.84 -0.83 0.00 -1.46 0.20 119.26 116.48 1whq h ALA 61 Ca 0.28 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.22 1whq h ALA 61 Cb -0.04 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1whq h ALA 61 CO -0.08 -1.09 0.29 0.00 0.00 0.00 0.00 179.25 178.37 1whq h ALA 62 N -1.60 1.23 0.59 0.00 0.00 -1.48 -1.97 119.26 116.04 1whq h ALA 62 Ca -0.08 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1whq h ALA 62 Cb 0.60 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1whq h ALA 62 CO 0.13 -0.35 -0.29 -0.09 0.00 0.00 0.00 179.25 178.65 1whq h ARG 63 N 0.32 -0.77 -0.34 0.00 9.65 -1.10 -3.23 114.38 118.90 1whq h ARG 63 Ca 0.50 0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.47 1whq h ARG 63 Cb 0.93 0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 29.65 1whq h ARG 63 CO -0.54 -0.46 -0.20 -0.25 2.80 0.00 0.00 179.97 181.32 1whq n ASP 64 N -5.36 -0.36 -0.34 -3.80 8.00 0.71 0.12 116.55 115.52 1whq n ASP 64 Ca -0.12 1.03 0.20 0.00 0.71 0.00 0.00 54.79 56.61 1whq n ASP 64 Cb 0.35 -0.29 0.37 0.00 -0.02 0.00 0.00 41.12 41.53 1whq n ASP 64 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1whq n PHE 65 N -3.74 0.78 -0.19 1.24 7.35 -1.06 0.57 117.46 122.41 1whq n PHE 65 Ca 0.01 1.19 -0.01 0.00 -0.76 0.00 0.00 57.45 57.88 1whq n PHE 65 Cb 0.09 -1.34 0.07 0.00 0.35 0.00 0.00 39.48 38.65 1whq n PHE 65 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1whq h VAL 66 N 0.00 0.48 -0.08 -2.13 2.07 0.83 0.57 116.25 117.99 1whq h VAL 66 Ca 0.67 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 68.19 1whq h VAL 66 Cb 1.52 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1whq h VAL 66 CO -0.89 0.01 0.20 -0.55 0.02 0.00 0.00 177.57 176.36 1whq h ASN 67 N 0.06 0.00 0.71 0.57 7.08 0.30 0.15 115.58 124.45 1whq h ASN 67 Ca 0.29 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.31 1whq h ASN 67 Cb 0.45 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.66 1whq h ASN 67 CO -0.53 0.00 -1.41 0.22 -2.08 0.00 0.00 177.43 173.63 1whq h TYR 68 N 0.00 0.00 -0.02 4.14 3.20 0.16 -3.18 116.97 121.27 1whq h TYR 68 Ca 0.04 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 1whq h TYR 68 Cb 0.43 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1whq h TYR 68 CO 0.00 0.71 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.51 1whq h LEU 69 N 0.00 0.09 0.11 2.82 3.38 0.63 -2.90 115.31 119.44 1whq h LEU 69 Ca -0.18 -0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.47 1whq h LEU 69 Cb 1.70 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 1whq h LEU 69 CO 0.06 0.71 -1.23 0.58 0.09 0.00 0.00 178.44 178.65 1whq h VAL 70 N 0.06 1.51 -0.28 1.22 2.07 -1.52 -0.16 116.25 119.14 1whq h VAL 70 Ca -0.01 -3.10 -0.06 0.00 0.82 0.00 0.00 66.70 64.35 1whq h VAL 70 Cb 1.15 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 1whq h VAL 70 CO 0.09 0.90 -0.10 0.08 0.02 0.00 0.00 177.57 178.56 1whq h ARG 71 N 0.06 0.46 -0.05 1.57 -0.00 -1.52 -1.66 114.38 113.24 1whq h ARG 71 Ca -0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 1whq h ARG 71 Cb 1.95 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.86 1whq h ARG 71 CO 0.19 0.57 0.00 0.44 -0.00 0.00 0.00 179.97 181.17 1whq n ILE 72 N -4.23 0.06 -2.80 0.08 -5.35 -1.10 -4.90 119.36 101.13 1whq n ILE 72 Ca 0.01 -0.17 -0.19 0.00 -0.27 0.00 0.00 62.75 62.12 1whq n ILE 72 Cb 0.30 0.09 0.02 0.00 -1.74 0.00 0.00 39.64 38.31 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 -0.23 -5.37 -0.07 7.28 3.02 -0.62 -4.90 115.26 114.37 1whq n ASN 73 Ca 0.18 -0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.47 1whq n ASN 73 Cb 0.23 -4.25 -0.16 0.00 -0.61 0.00 0.00 39.78 35.00 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 -3.36 0.68 -4.14 3.52 -0.58 -0.15 -4.95 120.64 111.65 1whq n GLU 74 Ca -0.12 -0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.45 1whq n GLU 74 Cb 0.61 -1.55 -0.15 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.69 0.41 -0.17 2.62 1.01 -0.72 -5.00 120.40 115.87 1whq s VAL 75 Ca -0.09 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1whq s VAL 75 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1whq s VAL 75 CO 0.84 0.13 0.95 -0.54 0.00 0.00 0.00 175.10 176.49 1whq s LYS 76 N 0.11 4.32 0.65 2.72 1.02 -1.26 -4.03 119.74 123.27 1whq s LYS 76 Ca -0.01 1.24 0.33 0.00 0.02 0.00 0.00 55.97 57.54 1whq s LYS 76 Cb -0.05 -3.59 1.79 0.00 -0.52 0.00 0.00 37.83 35.46 1whq s LYS 76 CO -0.00 -0.42 2.04 0.77 -0.92 0.00 0.00 175.35 176.82 1whq h SER 77 N 7.30 0.00 0.30 2.83 0.02 -1.95 0.17 113.55 122.23 1whq h SER 77 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1whq h SER 77 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1whq h SER 77 CO 0.89 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 176.25 1whq h GLU 78 N 0.00 0.00 0.00 3.45 5.08 -2.03 -1.73 114.58 119.35 1whq h GLU 78 Ca 0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 1whq h GLU 78 Cb 0.55 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1whq h GLU 78 CO -0.00 0.00 -1.87 0.39 -1.00 0.00 0.00 179.01 176.53 1whq n GLU 79 N -2.53 0.65 -2.08 2.33 -0.58 0.60 -4.91 120.64 114.12 1whq n GLU 79 Ca -0.01 0.19 -0.42 0.00 -0.42 0.00 0.00 57.16 56.51 1whq n GLU 79 Cb 0.12 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.25 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 -2.62 2.95 0.40 2.62 1.01 -0.65 -4.98 120.40 119.13 1whq s VAL 80 Ca -0.06 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1whq s VAL 80 Cb 0.08 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1whq s VAL 80 CO 0.83 0.08 1.19 -2.16 0.00 0.00 0.00 175.10 175.03 1whq s PRO 81 N 0.51 4.02 0.86 2.72 0.04 -1.26 -5.01 135.00 136.88 1whq s PRO 81 Ca 0.63 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.44 1whq s PRO 81 Cb -0.40 -2.67 0.11 0.00 0.04 0.00 0.00 34.50 31.58 1whq s PRO 81 CO 0.35 -0.36 1.10 0.00 0.04 0.00 0.00 177.00 178.14 1whq s ALA 82 N -1.40 1.74 -0.42 8.56 0.00 -1.26 -4.99 121.76 123.99 1whq s ALA 82 Ca 0.57 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 1whq s ALA 82 Cb -0.32 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1whq s ALA 82 CO 0.40 -2.29 0.37 0.54 0.00 0.00 0.00 175.76 174.77 1whq s VAL 83 N -2.81 5.18 -0.12 0.00 0.11 -1.26 -4.89 120.40 116.61 1whq s VAL 83 Ca 0.64 -0.52 0.10 0.00 -2.93 0.00 0.00 61.98 59.26 1whq s VAL 83 Cb -0.19 -3.98 -0.15 0.00 -1.53 0.00 0.00 36.38 30.53 1whq s VAL 83 CO 0.57 -0.37 0.03 0.61 -3.33 0.00 0.00 175.10 172.62 1whq n GLY 84 N 5.14 -0.58 3.52 6.54 0.00 -1.26 -4.96 105.19 113.58 1whq n GLY 84 Ca -0.09 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.29 4.24 0.05 -0.61 -4.36 -1.26 -5.10 121.20 111.86 1whq s ILE 85 Ca -0.07 -0.22 0.04 0.00 -0.26 0.00 0.00 60.65 60.15 1whq s ILE 85 Cb 0.04 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 1whq s ILE 85 CO 0.49 0.44 -0.13 0.68 0.24 0.00 0.00 174.94 176.66 1whq s VAL 86 N 0.74 0.97 0.83 8.37 -7.23 -1.26 -5.15 120.40 117.67 1whq s VAL 86 Ca 0.01 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 1whq s VAL 86 Cb -0.14 -0.93 0.09 0.00 0.56 0.00 0.00 36.38 35.96 1whq s VAL 86 CO 0.02 -0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.56 1whq s PRO 87 N -1.48 1.78 0.84 4.82 0.04 -1.26 -5.03 135.00 134.71 1whq s PRO 87 Ca -0.02 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1whq s PRO 87 Cb -0.09 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1whq s PRO 87 CO 0.02 -1.93 1.09 -1.25 0.04 0.00 0.00 177.00 174.97 1whq s PRO 88 N -4.92 1.71 0.07 0.56 0.04 -1.26 -4.99 135.00 126.22 1whq s PRO 88 Ca 0.62 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 1whq s PRO 88 Cb -0.18 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1whq s PRO 88 CO 0.56 -1.97 1.38 -1.00 0.04 0.00 0.00 177.00 176.02 1whq h PRO 89 N -1.36 0.52 -4.70 0.56 0.13 -2.08 -3.45 132.00 121.62 1whq h PRO 89 Ca -0.47 -0.27 -0.64 0.00 -0.87 0.00 0.00 66.00 63.75 1whq h PRO 89 Cb 1.26 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.43 1whq h PRO 89 CO 0.53 0.85 0.23 0.43 -0.23 0.00 0.00 178.00 179.81 1whq n SER 90 N -4.42 0.34 0.00 1.44 7.64 -1.26 -4.59 113.62 112.77 1whq n SER 90 Ca -0.05 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1whq n SER 90 Cb 0.41 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1whq n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whq n GLY 91 N 1.89 0.77 3.56 0.23 0.00 -1.26 -4.97 105.19 105.41 1whq n GLY 91 Ca 0.19 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1whq n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whq s PRO 92 N 0.00 2.56 -0.12 1.61 0.04 -1.26 -4.95 135.00 132.88 1whq s PRO 92 Ca 0.00 -0.25 -0.04 0.00 0.04 0.00 0.00 61.00 60.76 1whq s PRO 92 Cb 0.00 -5.03 -0.03 0.00 0.04 0.00 0.00 34.50 29.48 1whq s PRO 92 CO 0.00 -3.34 0.02 -1.12 0.04 0.00 0.00 177.00 172.59 1whq s SER 93 N 8.03 5.31 -0.04 6.66 0.01 -1.26 -5.05 113.70 127.36 1whq s SER 93 Ca 0.70 0.10 -0.38 0.00 1.31 0.00 0.00 55.95 57.69 1whq s SER 93 Cb -0.07 -1.67 -0.16 0.00 0.21 0.00 0.00 66.02 64.33 1whq s SER 93 CO 0.00 0.30 1.52 -0.24 0.41 0.00 0.00 173.24 175.23 1whq n SER 94 N 2.67 2.07 0.00 2.44 2.88 -1.26 -5.29 113.62 117.13 1whq n SER 94 Ca -0.18 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1whq n SER 94 Cb 0.53 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42