#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 6.68 -0.23 1.61 1.04 -1.26 -4.98 113.70 116.57 1whq s SER -2 Ca 0.00 1.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 1whq s SER -2 Cb 0.00 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.68 1whq s SER -2 CO 0.00 -1.06 0.23 -0.55 0.98 0.00 0.00 173.24 172.84 1whq s SER -1 N 2.79 1.58 0.00 7.02 0.15 -1.26 -5.01 113.70 118.96 1whq s SER -1 Ca 0.57 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1whq s SER -1 Cb -0.17 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1whq s SER -1 CO 0.23 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1whq n GLY 0 N 5.31 -1.80 3.10 9.45 0.00 -1.26 -5.17 105.19 114.82 1whq n GLY 0 Ca -0.05 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.08 0.30 1.61 0.15 -1.26 -5.14 113.70 109.27 1whq s SER 1 Ca 0.00 0.06 0.09 0.00 0.70 0.00 0.00 55.95 56.79 1whq s SER 1 Cb 0.00 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1whq s SER 1 CO 0.00 -0.25 -0.10 -0.44 1.20 0.00 0.00 173.24 173.65 1whq s SER 2 N -0.77 3.25 0.00 5.45 0.01 -1.26 -4.70 113.70 115.68 1whq s SER 2 Ca -0.09 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1whq s SER 2 Cb -0.05 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1whq s SER 2 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1whq n GLY 3 N -0.65 0.74 0.39 3.44 0.00 -1.26 -4.59 105.19 103.26 1whq n GLY 3 Ca -0.05 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 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 1.14 -0.33 -0.61 0.13 -1.26 -4.57 119.36 113.86 1whq n ILE 4 Ca 0.00 -0.18 -0.09 0.00 -1.10 0.00 0.00 62.75 61.38 1whq n ILE 4 Cb 0.00 -1.83 -0.08 0.00 -0.84 0.00 0.00 39.64 36.89 1whq n ILE 4 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1whq n LYS 5 N -3.93 -0.34 -0.36 9.51 4.01 -1.26 0.18 118.16 125.97 1whq n LYS 5 Ca -0.33 1.22 0.29 0.00 -0.51 0.00 0.00 58.31 58.98 1whq n LYS 5 Cb 0.70 -1.80 0.54 0.00 -0.51 0.00 0.00 35.03 33.96 1whq n LYS 5 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1whq h ASN 6 N 0.00 0.41 0.30 4.39 -1.07 -1.83 0.01 115.58 117.78 1whq h ASN 6 Ca 0.12 0.18 -0.01 0.00 0.07 0.00 0.00 56.30 56.66 1whq h ASN 6 Cb 0.32 0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1whq h ASN 6 CO -0.73 -0.19 -0.14 0.15 0.07 0.00 0.00 177.43 176.59 1whq h PHE 7 N 0.21 -0.37 -0.41 4.14 3.57 0.17 -1.67 116.94 122.58 1whq h PHE 7 Ca 0.77 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.34 1whq h PHE 7 Cb 2.00 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 40.77 1whq h PHE 7 CO -0.01 -0.23 -0.34 1.25 -2.23 0.00 0.00 178.31 176.76 1whq h LEU 8 N -0.44 -1.12 -0.19 0.59 5.85 -0.88 0.23 115.31 119.34 1whq h LEU 8 Ca -0.04 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1whq h LEU 8 Cb 0.31 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1whq h LEU 8 CO 0.07 -0.33 -0.44 0.22 -0.34 0.00 0.00 178.44 177.62 1whq h TYR 9 N -0.26 -1.31 -0.64 1.25 3.20 -1.10 0.43 116.97 118.54 1whq h TYR 9 Ca 0.17 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.23 1whq h TYR 9 Cb 0.54 0.60 -0.10 0.00 1.54 0.00 0.00 36.73 39.32 1whq h TYR 9 CO -0.55 -0.42 0.11 0.00 -1.64 0.00 0.00 178.16 175.66 1whq h ALA 10 N -0.45 0.75 -0.37 1.82 0.00 -0.78 0.51 119.26 120.73 1whq h ALA 10 Ca 0.04 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1whq h ALA 10 Cb 0.52 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1whq h ALA 10 CO -0.39 -0.34 0.03 2.35 0.00 0.00 0.00 179.25 180.90 1whq h TRP 11 N 0.23 0.03 0.06 0.00 7.01 0.13 -1.20 115.95 122.21 1whq h TRP 11 Ca 0.34 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.37 1whq h TRP 11 Cb 0.55 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1whq h TRP 11 CO -0.28 -0.04 -0.03 0.00 -2.79 0.00 0.00 178.44 175.30 1whq h GLY 13 N -0.24 0.94 0.78 0.00 0.00 -0.58 0.24 103.07 104.22 1whq h GLY 13 Ca -0.01 -0.05 0.17 0.00 0.00 0.00 0.00 47.33 47.45 1whq h GLY 13 CO 0.01 -0.15 0.44 0.50 0.00 0.00 0.00 176.54 177.34 1whq h LYS 14 N 0.29 0.02 -0.68 4.80 1.79 -1.12 0.47 116.57 122.14 1whq h LYS 14 Ca 0.38 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.77 1whq h LYS 14 Cb 0.60 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 1whq h LYS 14 CO -0.45 0.02 0.09 0.54 -1.08 0.00 0.00 179.45 178.56 1whq n ARG 15 N -4.36 4.16 -3.66 3.15 1.74 0.72 -4.90 116.66 113.50 1whq n ARG 15 Ca 0.12 -2.82 -0.27 0.00 -0.77 0.00 0.00 57.85 54.11 1whq n ARG 15 Cb 0.67 -2.17 0.04 0.00 -1.02 0.00 0.00 32.46 29.98 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 0.33 -6.01 -4.44 5.56 5.02 0.16 -4.98 118.16 113.79 1whq n LYS 16 Ca 0.29 0.70 -0.22 0.00 -2.02 0.00 0.00 58.31 57.06 1whq n LYS 16 Cb 1.18 -5.62 -0.10 0.00 -0.02 0.00 0.00 35.03 30.46 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 -6.37 1.59 -0.16 1.97 -1.94 -0.39 -4.99 119.30 109.01 1whq s MET 17 Ca 0.58 -1.77 -0.04 0.00 -1.71 0.00 0.00 55.69 52.74 1whq s MET 17 Cb -0.28 -1.39 0.06 0.00 2.01 0.00 0.00 34.83 35.23 1whq s MET 17 CO 0.71 0.15 0.07 0.99 -0.01 0.00 0.00 175.02 176.93 1whq s THR 18 N -2.82 0.10 0.14 2.05 2.01 -1.26 -2.95 115.64 112.92 1whq s THR 18 Ca 0.29 -0.21 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 1whq s THR 18 Cb 0.01 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.77 1whq s THR 18 CO 0.12 -0.20 1.34 -2.16 -0.69 0.00 0.00 174.62 173.03 1whq s PRO 19 N 2.05 4.36 -0.22 4.92 0.04 -1.26 -4.84 135.00 140.05 1whq s PRO 19 Ca 0.02 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1whq s PRO 19 Cb -0.16 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1whq s PRO 19 CO -0.08 -0.34 0.35 0.00 0.04 0.00 0.00 177.00 176.97 1whq s ALA 20 N 0.69 3.57 -0.17 8.56 0.00 -1.12 -4.97 121.76 128.31 1whq s ALA 20 Ca 0.61 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1whq s ALA 20 Cb -0.36 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1whq s ALA 20 CO 0.33 -0.35 -0.04 0.71 0.00 0.00 0.00 175.76 176.41 1whq s TYR 21 N 1.41 2.99 0.00 0.00 2.02 -1.26 -3.06 117.35 119.44 1whq s TYR 21 Ca 0.16 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1whq s TYR 21 Cb -0.15 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 1whq s TYR 21 CO 0.08 -0.20 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.78 1whq s GLU 22 N 0.72 0.58 0.01 -0.62 2.12 -1.19 -5.03 118.70 115.29 1whq s GLU 22 Ca -0.02 -0.33 0.08 0.00 0.36 0.00 0.00 54.97 55.06 1whq s GLU 22 Cb -0.15 -0.54 -0.03 0.00 0.26 0.00 0.00 34.13 33.68 1whq s GLU 22 CO 0.02 0.14 -0.23 0.42 -0.54 0.00 0.00 175.26 175.07 1whq s ILE 23 N -0.33 2.34 0.28 -3.70 1.01 -1.26 -2.45 121.20 117.09 1whq s ILE 23 Ca 0.01 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 59.51 1whq s ILE 23 Cb -0.04 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 1whq s ILE 23 CO -0.00 0.45 0.03 -0.13 0.00 0.00 0.00 174.94 175.29 1whq s ARG 24 N -1.03 1.50 -0.12 2.79 1.81 0.86 -4.97 118.95 119.79 1whq s ARG 24 Ca 0.12 -1.80 0.02 0.00 -1.72 0.00 0.00 55.73 52.34 1whq s ARG 24 Cb -0.10 -0.72 -0.00 0.00 -0.45 0.00 0.00 34.95 33.67 1whq s ARG 24 CO 0.02 -0.15 -0.18 0.00 -0.68 0.00 0.00 175.30 174.30 1whq s ALA 25 N -3.38 2.39 0.28 2.13 0.00 -1.26 -1.91 121.76 120.02 1whq s ALA 25 Ca 0.33 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1whq s ALA 25 Cb 0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 1whq s ALA 25 CO 0.13 0.18 0.25 0.14 0.00 0.00 0.00 175.76 176.46 1whq s VAL 26 N 0.49 0.00 0.00 0.00 -7.23 -1.19 -5.00 120.40 107.46 1whq s VAL 26 Ca -0.12 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1whq s VAL 26 Cb -0.17 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1whq s VAL 26 CO 0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1whq n GLY 27 N -0.49 -1.72 3.88 2.32 0.00 -1.26 -2.78 105.19 105.14 1whq n GLY 27 Ca 0.05 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 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 4.96 0.51 1.61 -0.87 -1.21 -4.99 114.94 110.95 1whq s ASN 28 Ca 0.00 -0.84 0.25 0.00 -1.57 0.00 0.00 52.86 50.69 1whq s ASN 28 Cb 0.00 -0.37 1.39 0.00 -0.02 0.00 0.00 41.25 42.25 1whq s ASN 28 CO 0.00 -0.75 2.08 0.07 -2.57 0.00 0.00 177.10 175.92 1whq h LYS 29 N 0.96 0.00 -0.01 -0.60 2.10 -2.01 -2.77 116.57 114.24 1whq h LYS 29 Ca -0.40 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.14 1whq h LYS 29 Cb 1.27 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.61 1whq h LYS 29 CO 0.57 0.12 -0.41 -0.91 -2.00 0.00 0.00 179.45 176.82 1whq h ASN 30 N 0.00 0.39 -3.94 7.07 4.21 -2.00 -3.39 115.58 117.91 1whq h ASN 30 Ca -0.00 -0.75 -0.67 0.00 1.21 0.00 0.00 56.30 56.10 1whq h ASN 30 Cb 0.29 -0.12 -0.38 0.00 -1.12 0.00 0.00 38.32 36.98 1whq h ASN 30 CO 0.02 1.08 -0.45 0.00 -1.29 0.00 0.00 177.43 176.79 1whq s ARG 31 N -3.25 2.46 0.31 0.81 1.70 -1.05 -5.08 118.95 114.85 1whq s ARG 31 Ca -0.14 -2.83 -0.29 0.00 -0.47 0.00 0.00 55.73 52.00 1whq s ARG 31 Cb 0.02 -3.58 -0.10 0.00 -0.57 0.00 0.00 34.95 30.73 1whq s ARG 31 CO 0.78 -1.19 1.19 -1.14 -1.08 0.00 0.00 175.30 173.87 1whq s GLN 32 N -0.59 4.49 0.09 3.89 0.74 -1.20 -3.33 119.66 123.76 1whq s GLN 32 Ca 0.20 1.99 0.03 0.00 0.05 0.00 0.00 55.36 57.63 1whq s GLN 32 Cb -0.17 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 1whq s GLN 32 CO -0.06 0.02 -0.09 0.21 -0.55 0.00 0.00 175.29 174.82 1whq s LYS 33 N -1.63 0.82 -0.23 1.67 2.47 -1.12 -4.66 119.74 117.06 1whq s LYS 33 Ca 0.47 -1.17 -0.01 0.00 -1.56 0.00 0.00 55.97 53.70 1whq s LYS 33 Cb -0.35 -0.42 0.06 0.00 -1.46 0.00 0.00 37.83 35.66 1whq s LYS 33 CO 0.46 0.05 -0.00 -0.06 0.16 0.00 0.00 175.35 175.96 1whq s PHE 34 N -2.66 1.84 -0.10 4.03 0.08 0.70 -3.19 117.98 118.68 1whq s PHE 34 Ca 0.06 -1.44 -0.16 0.00 0.12 0.00 0.00 56.93 55.51 1whq s PHE 34 Cb -0.01 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.98 1whq s PHE 34 CO -0.01 -0.72 0.40 -1.64 -0.10 0.00 0.00 175.22 173.15 1whq s MET 35 N 1.58 4.20 0.02 0.44 -1.94 -0.80 -3.01 119.30 119.79 1whq s MET 35 Ca -0.02 0.33 0.06 0.00 -1.71 0.00 0.00 55.69 54.34 1whq s MET 35 Cb -0.18 -3.38 -0.02 0.00 2.01 0.00 0.00 34.83 33.26 1whq s MET 35 CO -0.08 0.32 -0.17 0.00 -0.01 0.00 0.00 175.02 175.08 1whq s GLU 37 N -0.79 0.18 -0.16 0.00 -1.05 -1.03 -1.29 118.70 114.56 1whq s GLU 37 Ca 0.05 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 1whq s GLU 37 Cb -0.07 -0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.32 1whq s GLU 37 CO 0.01 -0.06 -0.15 0.54 0.95 0.00 0.00 175.26 176.54 1whq s VAL 38 N 0.54 2.63 0.09 1.83 0.11 0.54 -3.17 120.40 122.99 1whq s VAL 38 Ca -0.05 -0.77 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1whq s VAL 38 Cb -0.08 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 1whq s VAL 38 CO -0.01 0.51 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.00 1whq s ARG 39 N 0.91 2.03 -0.14 1.54 0.52 -1.17 -1.67 118.95 120.96 1whq s ARG 39 Ca -0.04 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 54.10 1whq s ARG 39 Cb -0.15 -2.23 0.05 0.00 0.52 0.00 0.00 34.95 33.14 1whq s ARG 39 CO -0.02 0.51 0.04 0.08 0.02 0.00 0.00 175.30 175.93 1whq s VAL 40 N -1.12 0.32 0.04 3.52 1.01 -1.26 -2.79 120.40 120.11 1whq s VAL 40 Ca 0.19 -0.20 -0.39 0.00 0.00 0.00 0.00 61.98 61.57 1whq s VAL 40 Cb -0.11 -0.73 -0.19 0.00 0.00 0.00 0.00 36.38 35.36 1whq s VAL 40 CO 0.10 -0.05 1.18 1.21 0.00 0.00 0.00 175.10 177.54 1whq n GLU 41 N 5.14 0.48 0.00 2.72 2.13 -1.26 -1.54 120.64 128.30 1whq n GLU 41 Ca -0.08 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1whq n GLU 41 Cb 0.49 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.47 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 1.92 3.12 3.90 8.31 0.00 -1.26 -5.06 105.19 116.13 1whq n GLY 42 Ca 0.19 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.33 3.47 -0.13 1.61 0.08 -0.59 -5.03 117.98 117.07 1whq s PHE 43 Ca 0.00 0.56 -0.11 0.00 0.12 0.00 0.00 56.93 57.50 1whq s PHE 43 Cb 0.00 -2.02 -0.25 0.00 -0.57 0.00 0.00 43.02 40.18 1whq s PHE 43 CO 0.00 0.36 0.39 -0.91 -0.10 0.00 0.00 175.22 174.96 1whq h ASN 44 N 2.42 0.35 -3.60 1.36 4.21 -1.97 -3.43 115.58 114.92 1whq h ASN 44 Ca -0.47 -0.86 -0.52 0.00 1.21 0.00 0.00 56.30 55.66 1whq h ASN 44 Cb 1.17 -0.11 0.05 0.00 -1.12 0.00 0.00 38.32 38.31 1whq h ASN 44 CO 0.70 1.76 0.67 -0.47 -1.29 0.00 0.00 177.43 178.80 1whq s TYR 45 N -2.51 3.11 -0.26 1.19 5.04 -1.26 -5.01 117.35 117.65 1whq s TYR 45 Ca -0.23 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 55.67 1whq s TYR 45 Cb 0.06 -3.69 0.07 0.00 0.35 0.00 0.00 41.96 38.75 1whq s TYR 45 CO 0.74 -2.06 -0.03 0.00 -1.34 0.00 0.00 175.55 172.87 1whq s ALA 46 N -0.48 2.05 0.08 3.97 0.00 -1.26 -4.68 121.76 121.44 1whq s ALA 46 Ca 0.54 -1.55 -0.35 0.00 0.00 0.00 0.00 51.96 50.60 1whq s ALA 46 Cb -0.39 -1.52 -0.19 0.00 0.00 0.00 0.00 23.12 21.02 1whq s ALA 46 CO 0.46 -1.31 0.88 0.41 0.00 0.00 0.00 175.76 176.21 1whq n GLY 47 N 4.63 -0.77 3.22 0.00 0.00 -0.67 -4.58 105.19 107.01 1whq n GLY 47 Ca -0.09 0.59 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.38 0.95 -0.19 1.61 0.23 -1.26 -0.33 119.30 119.93 1whq s MET 48 Ca 0.80 -1.14 -0.20 0.00 -1.03 0.00 0.00 55.69 54.12 1whq s MET 48 Cb -1.12 -0.87 0.05 0.00 -1.53 0.00 0.00 34.83 31.37 1whq s MET 48 CO 0.56 0.17 0.55 0.20 -2.03 0.00 0.00 175.02 174.48 1whq s GLY 49 N -2.21 -0.41 -0.15 3.16 0.00 -0.41 -4.07 107.32 103.22 1whq s GLY 49 Ca 0.05 1.50 -0.00 0.00 0.00 0.00 0.00 44.72 46.27 1whq s GLY 49 CO 0.03 1.28 -0.08 0.54 0.00 0.00 0.00 173.10 174.86 1whq s ASN 50 N 0.14 2.63 0.21 1.64 2.20 -1.26 -1.64 114.94 118.87 1whq s ASN 50 Ca -0.01 -0.53 -0.13 0.00 -0.94 0.00 0.00 52.86 51.24 1whq s ASN 50 Cb -0.04 -0.95 0.01 0.00 -2.00 0.00 0.00 41.25 38.26 1whq s ASN 50 CO 0.01 -0.14 0.45 -0.44 -2.94 0.00 0.00 177.10 174.04 1whq s SER 51 N 1.62 -0.11 0.10 3.54 0.01 -1.16 -4.94 113.70 112.74 1whq s SER 51 Ca 0.03 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 1whq s SER 51 Cb -0.14 0.55 -0.21 0.00 0.21 0.00 0.00 66.02 66.43 1whq s SER 51 CO -0.08 -1.05 1.20 0.74 0.41 0.00 0.00 173.24 174.46 1whq h THR 52 N 2.31 1.47 -3.08 1.44 2.02 -1.85 0.20 112.91 115.41 1whq h THR 52 Ca -0.28 -2.84 -0.60 0.00 0.77 0.00 0.00 66.41 63.46 1whq h THR 52 Cb 1.25 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 70.37 1whq h THR 52 CO 0.39 0.83 -0.23 0.20 0.37 0.00 0.00 175.52 177.09 1whq s ASN 53 N -7.12 6.70 0.06 4.18 0.01 -1.26 -4.39 114.94 113.12 1whq s ASN 53 Ca -0.05 0.86 -0.21 0.00 -0.71 0.00 0.00 52.86 52.75 1whq s ASN 53 Cb 0.08 -2.21 -0.12 0.00 0.41 0.00 0.00 41.25 39.41 1whq s ASN 53 CO 0.88 0.22 1.49 0.11 -1.51 0.00 0.00 177.10 178.29 1whq h LYS 54 N 4.05 0.25 0.14 -0.60 1.57 -1.91 -1.70 116.57 118.38 1whq h LYS 54 Ca -0.50 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1whq h LYS 54 Cb 1.20 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 1whq h LYS 54 CO 0.65 0.48 -0.41 0.87 -0.57 0.00 0.00 179.45 180.46 1whq h LYS 55 N 0.00 -0.63 0.40 3.15 1.79 -1.99 -1.33 116.57 117.95 1whq h LYS 55 Ca 0.04 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1whq h LYS 55 Cb 0.36 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1whq h LYS 55 CO 0.01 -0.42 -0.42 0.22 -1.08 0.00 0.00 179.45 177.75 1whq h ASP 56 N -0.66 -1.16 -0.87 0.86 3.58 -1.98 -2.15 116.42 114.03 1whq h ASP 56 Ca 0.02 0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.70 1whq h ASP 56 Cb 0.67 0.39 -0.14 0.00 1.72 0.00 0.00 39.33 41.97 1whq h ASP 56 CO -0.22 -0.57 -0.40 0.00 -2.88 0.00 0.00 179.24 175.17 1whq h ALA 57 N -0.52 0.03 -0.73 -0.78 0.00 -1.14 0.46 119.26 116.57 1whq h ALA 57 Ca -0.04 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1whq h ALA 57 Cb 0.76 0.98 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 1whq h ALA 57 CO -0.08 -0.68 0.36 1.96 0.00 0.00 0.00 179.25 180.82 1whq h GLN 58 N -0.06 0.58 -0.81 0.00 1.08 -0.99 -1.06 115.11 113.86 1whq h GLN 58 Ca 0.30 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.43 1whq h GLN 58 Cb 0.57 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 1whq h GLN 58 CO -0.89 0.39 0.40 1.03 -0.95 0.00 0.00 178.83 178.80 1whq h SER 59 N 0.60 1.05 -0.39 1.46 0.87 0.45 -2.24 113.55 115.35 1whq h SER 59 Ca 0.37 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1whq h SER 59 Cb 0.42 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1whq h SER 59 CO -0.29 0.88 0.24 0.78 -0.53 0.00 0.00 176.83 177.91 1whq h ASN 60 N 1.14 0.46 0.32 6.23 4.21 0.36 0.14 115.58 128.44 1whq h ASN 60 Ca 0.28 -0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.73 1whq h ASN 60 Cb 0.10 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 1whq h ASN 60 CO -0.04 0.38 -0.20 0.00 -1.29 0.00 0.00 177.43 176.28 1whq h ALA 61 N 1.11 -0.49 -0.12 -0.83 0.00 -1.06 0.14 119.26 118.01 1whq h ALA 61 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1whq h ALA 61 Cb -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1whq h ALA 61 CO -0.03 -0.79 0.08 0.00 0.00 0.00 0.00 179.25 178.51 1whq h ALA 62 N 0.16 0.15 -0.20 0.00 0.00 -1.31 -2.17 119.26 115.90 1whq h ALA 62 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1whq h ALA 62 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1whq h ALA 62 CO 0.03 -0.36 0.13 -0.09 0.00 0.00 0.00 179.25 178.96 1whq h ARG 63 N 0.15 0.26 0.48 0.00 1.12 -0.61 -2.83 114.38 112.96 1whq h ARG 63 Ca 0.04 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 1whq h ARG 63 Cb -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 1whq h ARG 63 CO -0.01 0.17 -0.23 -0.44 -3.11 0.00 0.00 179.97 176.35 1whq h ASP 64 N 0.27 -0.55 -1.31 -3.80 3.32 -0.10 -3.04 116.42 111.20 1whq h ASP 64 Ca 0.07 0.02 0.40 0.00 0.02 0.00 0.00 57.03 57.54 1whq h ASP 64 Cb -0.03 0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 1whq h ASP 64 CO -0.02 -0.31 0.88 0.15 -1.72 0.00 0.00 179.24 178.22 1whq h PHE 65 N -0.80 0.40 -0.50 4.55 3.57 -1.33 0.40 116.94 123.24 1whq h PHE 65 Ca -0.07 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1whq h PHE 65 Cb 0.50 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1whq h PHE 65 CO 0.06 -0.08 0.19 0.28 -2.23 0.00 0.00 178.31 176.53 1whq h VAL 66 N 0.13 0.86 -0.67 1.41 2.07 -1.38 -1.17 116.25 117.50 1whq h VAL 66 Ca 0.74 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 68.16 1whq h VAL 66 Cb 2.42 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1whq h VAL 66 CO -0.27 0.07 0.44 -0.55 0.02 0.00 0.00 177.57 177.28 1whq h ASN 67 N 0.38 0.68 0.02 0.57 7.08 -0.19 -1.31 115.58 122.81 1whq h ASN 67 Ca 0.24 -0.01 -0.10 0.00 -3.08 0.00 0.00 56.30 53.35 1whq h ASN 67 Cb 0.23 -0.16 -0.01 0.00 -2.08 0.00 0.00 38.32 36.30 1whq h ASN 67 CO -0.23 0.47 -0.29 0.22 -2.08 0.00 0.00 177.43 175.53 1whq h TYR 68 N 0.79 0.47 -0.05 4.14 3.20 -1.18 -2.84 116.97 121.50 1whq h TYR 68 Ca 0.27 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1whq h TYR 68 Cb 0.08 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1whq h TYR 68 CO -0.00 0.67 0.01 -0.07 -1.64 0.00 0.00 178.16 177.13 1whq h LEU 69 N 0.36 0.08 -0.77 2.82 3.38 -0.49 -2.64 115.31 118.07 1whq h LEU 69 Ca 0.05 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.86 1whq h LEU 69 Cb 0.70 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1whq h LEU 69 CO 0.05 0.29 0.44 0.58 0.09 0.00 0.00 178.44 179.90 1whq h VAL 70 N -0.13 0.96 0.07 1.22 2.07 -1.41 0.19 116.25 119.21 1whq h VAL 70 Ca 0.02 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1whq h VAL 70 Cb 0.24 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1whq h VAL 70 CO 0.00 0.14 -0.16 0.03 0.02 0.00 0.00 177.57 177.61 1whq h ARG 71 N 0.78 -0.28 0.00 1.57 2.47 -1.39 -0.06 114.38 117.47 1whq h ARG 71 Ca 0.35 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 1whq h ARG 71 Cb 0.25 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1whq h ARG 71 CO -0.21 -0.19 0.00 0.44 0.56 0.00 0.00 179.97 180.57 1whq n ILE 72 N -5.28 0.06 -3.09 2.04 -5.35 -0.97 -4.84 119.36 101.93 1whq n ILE 72 Ca -0.06 0.01 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 1whq n ILE 72 Cb 0.20 -0.75 0.05 0.00 -1.74 0.00 0.00 39.64 37.40 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 -1.03 -4.04 -0.00 7.28 3.02 -0.03 -4.93 115.26 115.52 1whq n ASN 73 Ca 0.12 -0.33 0.07 0.00 -0.03 0.00 0.00 54.58 54.41 1whq n ASN 73 Cb 0.07 -3.22 -0.10 0.00 -0.61 0.00 0.00 39.78 35.92 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 -3.12 1.04 -3.86 3.52 -0.58 0.57 -4.98 120.64 113.23 1whq n GLU 74 Ca -0.03 -0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.50 1whq n GLU 74 Cb 0.55 -1.29 -0.13 0.00 -0.57 0.00 0.00 31.44 30.00 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 -2.80 0.01 -0.16 2.62 1.01 -1.22 -4.93 120.40 114.93 1whq s VAL 75 Ca -0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1whq s VAL 75 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1whq s VAL 75 CO 0.60 -0.07 0.53 -0.54 0.00 0.00 0.00 175.10 175.63 1whq s LYS 76 N -0.18 4.26 0.49 2.72 1.02 -1.26 -4.11 119.74 122.69 1whq s LYS 76 Ca -0.02 0.48 0.28 0.00 0.02 0.00 0.00 55.97 56.73 1whq s LYS 76 Cb -0.02 -3.51 1.36 0.00 -0.52 0.00 0.00 37.83 35.14 1whq s LYS 76 CO 0.00 -0.04 1.84 0.66 -0.92 0.00 0.00 175.35 176.89 1whq h SER 77 N 7.16 0.15 -0.66 2.83 4.64 -1.96 0.31 113.55 126.03 1whq h SER 77 Ca -0.36 0.02 0.19 0.00 -0.47 0.00 0.00 61.79 61.17 1whq h SER 77 Cb 1.16 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1whq h SER 77 CO 0.75 0.04 0.48 -0.33 -0.87 0.00 0.00 176.83 176.91 1whq h GLU 78 N 0.14 0.00 0.11 4.77 5.08 -2.01 -0.48 114.58 122.19 1whq h GLU 78 Ca 0.50 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.53 1whq h GLU 78 Cb 1.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1whq h GLU 78 CO -0.09 0.00 -1.73 0.93 -1.00 0.00 0.00 179.01 177.12 1whq h GLU 79 N 0.00 0.23 -6.67 2.33 4.39 -0.78 -3.46 114.58 110.62 1whq h GLU 79 Ca 0.31 -0.40 -0.52 0.00 0.34 0.00 0.00 59.36 59.09 1whq h GLU 79 Cb 1.28 0.15 0.05 0.00 -0.10 0.00 0.00 28.75 30.13 1whq h GLU 79 CO -0.00 1.07 0.90 0.08 -1.16 0.00 0.00 179.01 179.89 1whq s VAL 80 N -2.59 2.39 1.00 3.13 1.01 -0.19 -4.99 120.40 120.15 1whq s VAL 80 Ca -0.13 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1whq s VAL 80 Cb 0.07 -3.19 0.19 0.00 0.00 0.00 0.00 36.38 33.45 1whq s VAL 80 CO 0.82 0.03 1.09 -2.16 0.00 0.00 0.00 175.10 174.89 1whq s PRO 81 N 0.70 0.44 0.21 2.72 0.04 -1.26 -4.94 135.00 132.90 1whq s PRO 81 Ca 0.69 0.53 0.07 0.00 0.04 0.00 0.00 61.00 62.33 1whq s PRO 81 Cb -0.46 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1whq s PRO 81 CO 0.35 -2.73 0.10 0.00 0.04 0.00 0.00 177.00 174.77 1whq s ALA 82 N -2.96 3.43 -1.32 8.56 0.00 -1.26 -4.98 121.76 123.22 1whq s ALA 82 Ca 0.65 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1whq s ALA 82 Cb -0.19 -1.17 0.16 0.00 0.00 0.00 0.00 23.12 21.92 1whq s ALA 82 CO 0.58 0.39 0.97 1.55 0.00 0.00 0.00 175.76 179.25 1whq n VAL 83 N -0.62 1.20 0.00 0.00 3.14 -1.26 -4.93 118.33 115.87 1whq n VAL 83 Ca -0.08 0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1whq n VAL 83 Cb 0.56 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 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 -1.04 0.29 3.77 7.55 0.00 -1.26 -5.04 105.19 109.45 1whq n GLY 84 Ca 0.01 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 3.73 -0.83 -0.61 1.01 -1.26 -5.01 121.20 118.23 1whq s ILE 85 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.21 1whq s ILE 85 Cb 0.00 -3.92 0.20 0.00 0.01 0.00 0.00 42.46 38.75 1whq s ILE 85 CO 0.00 0.23 0.68 -0.69 0.00 0.00 0.00 174.94 175.17 1whq s VAL 86 N -1.39 3.92 0.89 2.92 1.01 -1.26 -5.08 120.40 121.41 1whq s VAL 86 Ca 0.49 -3.94 -0.11 0.00 0.00 0.00 0.00 61.98 58.41 1whq s VAL 86 Cb -0.26 -3.47 0.12 0.00 0.00 0.00 0.00 36.38 32.77 1whq s VAL 86 CO 0.33 -1.05 1.09 -2.16 0.00 0.00 0.00 175.10 173.31 1whq s PRO 87 N -1.32 1.32 0.91 2.72 0.04 -1.26 -5.03 135.00 132.38 1whq s PRO 87 Ca 0.26 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1whq s PRO 87 Cb -0.07 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.79 1whq s PRO 87 CO -0.13 -2.20 1.09 -1.25 0.04 0.00 0.00 177.00 174.55 1whq s PRO 88 N -4.93 1.12 0.00 0.56 0.04 -1.26 -4.92 135.00 125.61 1whq s PRO 88 Ca 0.63 0.77 0.15 0.00 0.04 0.00 0.00 61.00 62.59 1whq s PRO 88 Cb -0.18 -1.80 0.72 0.00 0.04 0.00 0.00 34.50 33.28 1whq s PRO 88 CO 0.57 -2.32 1.42 -0.35 0.04 0.00 0.00 177.00 176.35 1whq n PRO 89 N -3.93 0.17 -1.66 0.56 -0.04 -1.26 -4.78 135.00 124.06 1whq n PRO 89 Ca 0.07 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 1whq n PRO 89 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1whq n PRO 89 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whq n SER 90 N -1.33 4.12 0.00 3.54 7.64 -1.26 -4.84 113.62 121.49 1whq n SER 90 Ca 0.06 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1whq n SER 90 Cb 0.13 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 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 4.60 3.00 0.00 0.23 0.00 -1.26 -4.93 105.19 106.83 1whq n GLY 91 Ca 0.21 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.25 0.49 -0.55 1.61 -0.04 -1.26 -4.83 135.00 129.17 1whq n PRO 92 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1whq n PRO 92 Cb 0.00 -1.43 0.23 0.00 -0.04 0.00 0.00 33.50 32.26 1whq n PRO 92 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1whq n SER 93 N -0.93 -1.40 -0.36 3.54 3.41 -1.26 -4.88 113.62 111.74 1whq n SER 93 Ca 0.10 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1whq n SER 93 Cb 0.05 -1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 62.63 1whq n SER 93 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1whq h SER 94 N -2.42 -2.04 0.00 4.04 0.87 -1.97 -3.52 113.55 108.50 1whq h SER 94 Ca -0.56 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1whq h SER 94 Cb 1.32 0.89 0.00 0.00 -0.44 0.00 0.00 62.40 64.17 1whq h SER 94 CO 0.46 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.12