#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 5.14 -0.54 1.61 0.01 -1.26 -4.88 113.70 113.77 1whq s SER -2 Ca 0.00 -1.24 -0.36 0.00 1.31 0.00 0.00 55.95 55.67 1whq s SER -2 Cb 0.00 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.50 1whq s SER -2 CO 0.00 -2.87 2.31 -0.24 0.41 0.00 0.00 173.24 172.85 1whq n SER -1 N 14.00 1.39 -4.65 2.44 2.88 -1.26 -4.77 113.62 123.65 1whq n SER -1 Ca 0.43 0.33 -0.51 0.00 -1.33 0.00 0.00 58.87 57.78 1whq n SER -1 Cb 0.47 -1.13 -0.06 0.00 -0.75 0.00 0.00 64.21 62.74 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 6.73 1.12 0.08 0.46 0.00 -1.26 -4.87 105.19 107.44 1whq n GLY 0 Ca 0.50 0.90 -0.12 0.00 0.00 0.00 0.00 46.02 47.29 1whq n GLY 0 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1whq h SER 1 N 9.25 0.00 -5.91 1.61 0.02 -2.03 -3.48 113.55 113.00 1whq h SER 1 Ca -0.44 -0.47 -0.37 0.00 -0.84 0.00 0.00 61.79 59.66 1whq h SER 1 Cb 1.29 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.94 1whq h SER 1 CO 0.96 1.00 -0.85 -0.24 -1.14 0.00 0.00 176.83 176.57 1whq n SER 2 N -4.59 -3.14 -4.58 3.07 2.88 -1.26 -5.00 113.62 100.99 1whq n SER 2 Ca -0.14 -0.80 -0.24 0.00 -1.33 0.00 0.00 58.87 56.36 1whq n SER 2 Cb 0.40 -4.35 -0.09 0.00 -0.75 0.00 0.00 64.21 59.42 1whq n SER 2 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whq s GLY 3 N -4.01 1.99 0.09 0.46 0.00 -1.26 -4.98 107.32 99.60 1whq s GLY 3 Ca 0.18 -1.92 0.23 0.00 0.00 0.00 0.00 44.72 43.21 1whq s GLY 3 CO 0.79 -1.91 1.71 4.51 0.00 0.00 0.00 173.10 178.20 1whq n ILE 4 N -0.84 0.61 -0.06 0.90 0.13 -1.26 -3.15 119.36 115.68 1whq n ILE 4 Ca -0.05 0.08 -0.03 0.00 -1.10 0.00 0.00 62.75 61.65 1whq n ILE 4 Cb 0.61 -0.82 -0.02 0.00 -0.84 0.00 0.00 39.64 38.58 1whq n ILE 4 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1whq h LYS 5 N 0.00 0.00 -0.60 9.51 6.56 -1.93 -3.21 116.57 126.89 1whq h LYS 5 Ca 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.76 1whq h LYS 5 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 1whq h LYS 5 CO 0.00 0.17 0.43 -0.97 -2.06 0.00 0.00 179.45 177.02 1whq h ASN 6 N -1.00 0.04 0.54 0.86 -1.24 -1.99 -1.96 115.58 110.83 1whq h ASN 6 Ca -0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1whq h ASN 6 Cb 0.23 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.27 1whq h ASN 6 CO -0.00 0.02 -0.26 0.15 -1.29 0.00 0.00 177.43 176.05 1whq h PHE 7 N 0.04 -0.67 0.18 0.67 3.04 -1.66 -1.67 116.94 116.87 1whq h PHE 7 Ca 0.29 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.23 1whq h PHE 7 Cb 1.09 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.80 1whq h PHE 7 CO -0.00 -0.35 -0.25 1.25 -2.02 0.00 0.00 178.31 176.94 1whq h LEU 8 N -0.91 -0.70 -0.57 0.59 5.85 -1.38 0.14 115.31 118.32 1whq h LEU 8 Ca -0.07 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1whq h LEU 8 Cb 0.62 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 1whq h LEU 8 CO 0.12 -0.35 -0.08 0.22 -0.34 0.00 0.00 178.44 178.01 1whq h TYR 9 N -0.49 -0.19 -0.02 1.25 3.20 -1.43 0.14 116.97 119.43 1whq h TYR 9 Ca 0.01 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1whq h TYR 9 Cb 0.49 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1whq h TYR 9 CO -0.21 -0.20 0.01 0.00 -1.64 0.00 0.00 178.16 176.12 1whq h ALA 10 N 1.55 0.03 -0.56 1.82 0.00 -0.94 0.75 119.26 121.90 1whq h ALA 10 Ca 0.28 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1whq h ALA 10 Cb 0.44 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1whq h ALA 10 CO -0.54 -0.40 0.18 2.35 0.00 0.00 0.00 179.25 180.83 1whq h TRP 11 N -0.12 0.30 0.00 0.00 7.01 0.19 0.20 115.95 123.52 1whq h TRP 11 Ca 0.01 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1whq h TRP 11 Cb 0.15 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1whq h TRP 11 CO -0.03 0.06 0.00 0.00 -2.79 0.00 0.00 178.44 175.68 1whq h GLY 13 N 4.22 0.00 1.81 0.00 0.00 0.18 0.55 103.07 109.83 1whq h GLY 13 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1whq h GLY 13 CO 0.00 0.00 -0.82 0.07 0.00 0.00 0.00 176.54 175.79 1whq h LYS 14 N 0.00 0.00 -0.63 4.80 2.10 -1.21 -3.21 116.57 118.42 1whq h LYS 14 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1whq h LYS 14 Cb 1.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1whq h LYS 14 CO 0.09 0.61 0.00 0.54 -2.00 0.00 0.00 179.45 178.70 1whq n ARG 15 N -3.21 2.45 -3.34 0.07 1.74 -1.21 -4.89 116.66 108.29 1whq n ARG 15 Ca -0.01 -1.41 -0.17 0.00 -0.77 0.00 0.00 57.85 55.50 1whq n ARG 15 Cb 0.82 -1.64 0.08 0.00 -1.02 0.00 0.00 32.46 30.71 1whq n ARG 15 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1whq n LYS 16 N 0.39 -6.26 -4.19 5.56 4.81 -1.21 -5.02 118.16 112.23 1whq n LYS 16 Ca 0.13 0.76 -0.16 0.00 -0.87 0.00 0.00 58.31 58.17 1whq n LYS 16 Cb 0.54 -5.55 -0.11 0.00 0.02 0.00 0.00 35.03 29.94 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1whq s MET 17 N -5.44 0.89 -0.29 1.64 -1.94 0.19 -5.03 119.30 109.32 1whq s MET 17 Ca 0.12 -1.14 -0.01 0.00 -1.71 0.00 0.00 55.69 52.94 1whq s MET 17 Cb -0.05 -0.68 0.09 0.00 2.01 0.00 0.00 34.83 36.20 1whq s MET 17 CO 0.66 0.12 0.09 0.99 -0.01 0.00 0.00 175.02 176.87 1whq s THR 18 N -2.16 0.76 0.26 2.05 2.01 -1.26 -3.70 115.64 113.61 1whq s THR 18 Ca 0.05 -1.22 -0.29 0.00 0.31 0.00 0.00 61.69 60.53 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 0.01 -0.60 1.26 -2.16 -0.69 0.00 0.00 174.62 172.44 1whq s PRO 19 N 1.69 4.44 -0.11 4.92 0.04 -1.26 -4.84 135.00 139.87 1whq s PRO 19 Ca 0.08 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1whq s PRO 19 Cb -0.17 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 1whq s PRO 19 CO -0.23 -0.12 -0.11 0.00 0.04 0.00 0.00 177.00 176.58 1whq s ALA 20 N -0.62 2.75 -0.11 8.56 0.00 -1.23 -5.02 121.76 126.10 1whq s ALA 20 Ca 0.51 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1whq s ALA 20 Cb -0.37 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1whq s ALA 20 CO 0.44 0.35 -0.01 0.71 0.00 0.00 0.00 175.76 177.25 1whq s TYR 21 N -0.03 3.11 -0.12 0.00 1.51 -1.26 -3.40 117.35 117.16 1whq s TYR 21 Ca -0.02 0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1whq s TYR 21 Cb -0.14 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.93 1whq s TYR 21 CO 0.04 0.31 0.22 -2.00 -1.11 0.00 0.00 175.55 173.01 1whq s GLU 22 N -0.48 0.11 -0.21 -0.62 2.56 -1.13 -5.00 118.70 113.92 1whq s GLU 22 Ca 0.08 0.65 -0.08 0.00 0.00 0.00 0.00 54.97 55.63 1whq s GLU 22 Cb -0.12 -0.18 -0.04 0.00 2.00 0.00 0.00 34.13 35.79 1whq s GLU 22 CO 0.02 -0.31 0.08 0.42 -0.56 0.00 0.00 175.26 174.91 1whq s ILE 23 N 2.37 4.75 0.32 -3.70 1.09 -1.26 -1.66 121.20 123.11 1whq s ILE 23 Ca 0.02 -0.04 0.07 0.00 -1.10 0.00 0.00 60.65 59.60 1whq s ILE 23 Cb -0.12 -3.17 -0.02 0.00 -1.06 0.00 0.00 42.46 38.09 1whq s ILE 23 CO -0.08 0.41 0.38 -0.13 -0.10 0.00 0.00 174.94 175.43 1whq s ARG 24 N 0.78 2.99 -0.19 2.79 1.81 0.54 -4.88 118.95 122.79 1whq s ARG 24 Ca 0.04 -1.10 -0.05 0.00 -1.72 0.00 0.00 55.73 52.91 1whq s ARG 24 Cb -0.13 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.65 1whq s ARG 24 CO 0.02 0.12 -0.00 0.00 -0.68 0.00 0.00 175.30 174.76 1whq s ALA 25 N -2.20 3.06 0.29 2.13 0.00 -1.26 -1.65 121.76 122.12 1whq s ALA 25 Ca 0.42 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1whq s ALA 25 Cb -0.08 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1whq s ALA 25 CO 0.29 -0.04 0.34 0.14 0.00 0.00 0.00 175.76 176.49 1whq s VAL 26 N 0.80 0.00 0.00 0.00 -7.23 -0.27 -4.99 120.40 108.72 1whq s VAL 26 Ca 0.00 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1whq s VAL 26 Cb -0.14 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1whq s VAL 26 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1whq n GLY 27 N -0.47 0.55 3.92 2.32 0.00 -1.26 0.54 105.19 110.79 1whq n GLY 27 Ca 0.02 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 5.47 0.06 1.61 0.01 -1.12 -4.88 114.94 116.09 1whq s ASN 28 Ca 0.00 0.66 0.05 0.00 -0.71 0.00 0.00 52.86 52.86 1whq s ASN 28 Cb 0.00 -1.60 0.27 0.00 0.41 0.00 0.00 41.25 40.32 1whq s ASN 28 CO 0.00 -1.14 1.16 2.29 -1.51 0.00 0.00 177.10 177.89 1whq n LYS 29 N -2.63 0.03 -0.11 -0.60 0.00 -1.26 -2.33 118.16 111.26 1whq n LYS 29 Ca 0.05 0.51 -0.22 0.00 -0.00 0.00 0.00 58.31 58.65 1whq n LYS 29 Cb 0.58 -1.59 -0.09 0.00 -0.00 0.00 0.00 35.03 33.93 1whq n LYS 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1whq n ASN 30 N -1.65 1.90 -4.12 -5.58 2.85 -1.26 -4.80 115.26 102.59 1whq n ASN 30 Ca -0.00 0.40 -0.37 0.00 -0.11 0.00 0.00 54.58 54.50 1whq n ASN 30 Cb 0.02 -0.89 -0.10 0.00 1.24 0.00 0.00 39.78 40.05 1whq n ASN 30 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1whq s ARG 31 N -2.45 2.29 0.32 1.20 6.06 -0.98 -5.08 118.95 120.30 1whq s ARG 31 Ca -0.31 -2.09 -0.28 0.00 -2.50 0.00 0.00 55.73 50.55 1whq s ARG 31 Cb 0.09 -3.69 -0.09 0.00 0.06 0.00 0.00 34.95 31.31 1whq s ARG 31 CO 0.51 -1.13 1.13 -1.14 -2.50 0.00 0.00 175.30 172.17 1whq s GLN 32 N 0.71 4.47 0.12 5.12 0.74 -1.24 -2.79 119.66 126.78 1whq s GLN 32 Ca 0.11 1.83 0.05 0.00 0.05 0.00 0.00 55.36 57.40 1whq s GLN 32 Cb -0.22 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 1whq s GLN 32 CO -0.04 0.05 -0.12 0.15 -0.55 0.00 0.00 175.29 174.78 1whq s LYS 33 N -1.73 0.97 -0.07 1.67 1.02 0.19 -4.61 119.74 117.17 1whq s LYS 33 Ca 0.48 -1.25 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1whq s LYS 33 Cb -0.32 -0.74 0.02 0.00 -0.52 0.00 0.00 37.83 36.27 1whq s LYS 33 CO 0.41 0.13 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.83 1whq s PHE 34 N -2.41 1.22 -0.31 3.18 0.08 0.15 -1.11 117.98 118.77 1whq s PHE 34 Ca 0.09 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 1whq s PHE 34 Cb -0.03 -0.99 0.04 0.00 -0.57 0.00 0.00 43.02 41.47 1whq s PHE 34 CO 0.02 -0.32 0.05 -1.64 -0.10 0.00 0.00 175.22 173.22 1whq s MET 35 N 1.11 2.67 -0.15 0.44 -1.94 -0.66 -1.44 119.30 119.33 1whq s MET 35 Ca -0.07 -1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 52.70 1whq s MET 35 Cb -0.14 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 1whq s MET 35 CO -0.01 -0.58 0.15 0.00 -0.01 0.00 0.00 175.02 174.57 1whq s GLU 37 N -0.42 0.97 -0.21 0.00 4.04 -0.66 -1.18 118.70 121.25 1whq s GLU 37 Ca 0.13 -0.25 0.00 0.00 0.04 0.00 0.00 54.97 54.89 1whq s GLU 37 Cb -0.12 -0.91 0.02 0.00 0.02 0.00 0.00 34.13 33.15 1whq s GLU 37 CO 0.02 0.05 -0.14 0.54 -1.84 0.00 0.00 175.26 173.88 1whq s VAL 38 N 0.44 2.38 -0.12 1.83 0.11 -0.17 -2.84 120.40 122.04 1whq s VAL 38 Ca -0.07 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 1whq s VAL 38 Cb -0.11 -2.12 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 1whq s VAL 38 CO 0.01 0.38 -0.01 -0.13 -3.33 0.00 0.00 175.10 172.01 1whq s ARG 39 N 1.29 3.28 -0.09 1.54 0.52 -1.22 -1.56 118.95 122.71 1whq s ARG 39 Ca 0.02 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1whq s ARG 39 Cb -0.15 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.48 1whq s ARG 39 CO -0.09 0.50 -0.21 0.08 0.02 0.00 0.00 175.30 175.60 1whq s VAL 40 N -0.34 1.81 0.35 3.52 1.01 -1.26 -3.54 120.40 121.95 1whq s VAL 40 Ca 0.06 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1whq s VAL 40 Cb -0.12 -1.57 -0.12 0.00 0.00 0.00 0.00 36.38 34.56 1whq s VAL 40 CO 0.02 0.50 1.35 1.21 0.00 0.00 0.00 175.10 178.19 1whq n GLU 41 N 3.57 2.29 0.00 2.72 2.13 -1.26 -2.31 120.64 127.77 1whq n GLU 41 Ca -0.20 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1whq n GLU 41 Cb 0.53 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.81 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 0.69 2.63 3.90 8.31 0.00 -1.26 -5.01 105.19 114.46 1whq n GLY 42 Ca 0.04 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.62 3.47 -0.07 1.61 0.08 -0.98 -5.01 117.98 116.46 1whq s PHE 43 Ca 0.00 0.53 0.13 0.00 0.12 0.00 0.00 56.93 57.71 1whq s PHE 43 Cb 0.00 -1.99 -0.23 0.00 -0.57 0.00 0.00 43.02 40.23 1whq s PHE 43 CO 0.00 0.41 0.56 0.09 -0.10 0.00 0.00 175.22 176.18 1whq n ASN 44 N -0.08 0.73 -4.78 1.36 4.13 -1.26 -4.63 115.26 110.73 1whq n ASN 44 Ca -0.03 0.34 -0.37 0.00 1.68 0.00 0.00 54.58 56.21 1whq n ASN 44 Cb 0.52 0.12 -0.04 0.00 -1.54 0.00 0.00 39.78 38.84 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1whq s TYR 45 N -2.58 3.27 -0.17 3.10 5.04 -1.26 -5.01 117.35 119.74 1whq s TYR 45 Ca -0.06 1.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.19 1whq s TYR 45 Cb 0.08 -3.19 0.05 0.00 0.35 0.00 0.00 41.96 39.24 1whq s TYR 45 CO 0.83 -0.74 0.03 0.00 -1.34 0.00 0.00 175.55 174.33 1whq s ALA 46 N -1.55 0.95 -0.50 3.97 0.00 -1.26 -4.45 121.76 118.93 1whq s ALA 46 Ca 0.56 -0.58 -0.45 0.00 0.00 0.00 0.00 51.96 51.48 1whq s ALA 46 Cb -0.25 -1.09 -0.19 0.00 0.00 0.00 0.00 23.12 21.59 1whq s ALA 46 CO 0.31 -1.02 1.89 0.41 0.00 0.00 0.00 175.76 177.35 1whq n GLY 47 N 5.07 0.02 3.61 0.00 0.00 -0.60 -4.54 105.19 108.75 1whq n GLY 47 Ca -0.09 1.07 -0.34 0.00 0.00 0.00 0.00 46.02 46.66 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 4.61 3.27 -0.05 1.61 0.23 -1.26 -1.00 119.30 126.71 1whq s MET 48 Ca 1.13 -0.45 -0.12 0.00 -1.03 0.00 0.00 55.69 55.22 1whq s MET 48 Cb -1.49 -2.85 0.02 0.00 -1.53 0.00 0.00 34.83 28.98 1whq s MET 48 CO 0.73 0.52 0.29 0.20 -2.03 0.00 0.00 175.02 174.73 1whq s GLY 49 N -0.38 -0.16 -0.01 3.16 0.00 -0.32 -4.14 107.32 105.48 1whq s GLY 49 Ca 0.07 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.29 1whq s GLY 49 CO 0.02 0.30 -0.10 0.54 0.00 0.00 0.00 173.10 173.87 1whq s ASN 50 N -0.78 1.14 -0.14 1.64 4.22 -1.26 -0.71 114.94 119.04 1whq s ASN 50 Ca -0.09 -0.18 -0.30 0.00 -2.14 0.00 0.00 52.86 50.15 1whq s ASN 50 Cb -0.04 -0.13 0.13 0.00 1.28 0.00 0.00 41.25 42.49 1whq s ASN 50 CO 0.02 0.12 1.00 -0.44 -2.04 0.00 0.00 177.10 175.77 1whq s SER 51 N -0.24 -0.34 0.00 3.54 0.01 -0.52 -4.73 113.70 111.41 1whq s SER 51 Ca 0.04 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.66 1whq s SER 51 Cb -0.04 0.30 0.27 0.00 0.21 0.00 0.00 66.02 66.76 1whq s SER 51 CO -0.00 -0.37 1.10 0.35 0.41 0.00 0.00 173.24 174.73 1whq n THR 52 N 0.54 1.23 -4.11 1.44 -2.24 -1.26 -0.68 114.28 109.21 1whq n THR 52 Ca -0.09 0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1whq n THR 52 Cb 0.59 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.50 1whq n THR 52 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1whq s ASN 53 N -2.76 0.74 -0.04 3.42 2.20 -1.26 -4.63 114.94 112.61 1whq s ASN 53 Ca 0.04 -0.91 -0.18 0.00 -0.94 0.00 0.00 52.86 50.87 1whq s ASN 53 Cb 0.04 0.14 -0.12 0.00 -2.00 0.00 0.00 41.25 39.30 1whq s ASN 53 CO 0.09 -0.48 0.77 0.11 -2.94 0.00 0.00 177.10 174.65 1whq h LYS 54 N 3.36 -0.37 -0.79 3.55 1.57 -1.92 -2.17 116.57 119.80 1whq h LYS 54 Ca -0.34 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.65 1whq h LYS 54 Cb 1.16 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 1whq h LYS 54 CO 0.61 -0.07 -0.08 1.63 -0.57 0.00 0.00 179.45 180.97 1whq n LYS 55 N -5.04 -0.07 0.17 3.15 5.02 -1.26 -0.64 118.16 119.50 1whq n LYS 55 Ca -0.07 1.20 -0.09 0.00 -2.02 0.00 0.00 58.31 57.33 1whq n LYS 55 Cb 0.24 -1.86 -0.05 0.00 -0.02 0.00 0.00 35.03 33.35 1whq n LYS 55 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1whq h ASP 56 N 0.00 -0.42 -1.76 4.39 5.19 -1.97 -3.20 116.42 118.65 1whq h ASP 56 Ca 0.43 -0.04 0.53 0.00 -0.62 0.00 0.00 57.03 57.34 1whq h ASP 56 Cb 0.80 0.11 -0.10 0.00 0.18 0.00 0.00 39.33 40.32 1whq h ASP 56 CO -0.77 0.02 1.23 0.00 -3.12 0.00 0.00 179.24 176.60 1whq h ALA 57 N -1.01 3.50 -0.49 3.45 0.00 -0.21 1.44 119.26 125.94 1whq h ALA 57 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1whq h ALA 57 Cb 0.44 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1whq h ALA 57 CO 0.08 -2.10 -0.05 1.96 0.00 0.00 0.00 179.25 179.14 1whq h GLN 58 N 0.01 0.89 -0.44 0.00 4.20 -0.87 -2.16 115.11 116.73 1whq h GLN 58 Ca 0.91 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 59.22 1whq h GLN 58 Cb 3.41 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 31.11 1whq h GLN 58 CO -0.17 0.95 -0.11 1.03 -0.67 0.00 0.00 178.83 179.87 1whq h SER 59 N 0.75 0.79 -0.24 1.46 0.87 0.19 -2.32 113.55 115.05 1whq h SER 59 Ca 0.13 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1whq h SER 59 Cb 0.58 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1whq h SER 59 CO 0.03 0.92 0.06 0.78 -0.53 0.00 0.00 176.83 178.10 1whq h ASN 60 N 0.73 0.37 -0.22 6.23 2.35 -1.28 -1.20 115.58 122.56 1whq h ASN 60 Ca 0.12 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1whq h ASN 60 Cb 0.60 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1whq h ASN 60 CO 0.04 0.50 0.13 0.00 -1.65 0.00 0.00 177.43 176.45 1whq h ALA 61 N 0.88 0.27 -0.40 -0.83 0.00 -1.29 0.14 119.26 118.03 1whq h ALA 61 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1whq h ALA 61 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1whq h ALA 61 CO 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.11 1whq h ALA 62 N 1.10 1.49 -0.12 0.00 0.00 -1.36 -2.42 119.26 117.95 1whq h ALA 62 Ca 0.08 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1whq h ALA 62 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1whq h ALA 62 CO -0.04 0.39 -0.39 0.00 0.00 0.00 0.00 179.25 179.21 1whq h ARG 63 N 0.56 0.48 -0.13 0.00 2.47 -0.66 -2.35 114.38 114.75 1whq h ARG 63 Ca 0.14 -0.35 0.04 0.00 -1.26 0.00 0.00 59.98 58.54 1whq h ARG 63 Cb 0.16 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1whq h ARG 63 CO -0.01 0.98 -0.13 0.22 0.56 0.00 0.00 179.97 181.58 1whq h ASP 64 N 0.07 -0.42 -0.02 7.04 3.58 -0.48 -1.00 116.42 125.20 1whq h ASP 64 Ca -0.01 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1whq h ASP 64 Cb 1.02 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 1whq h ASP 64 CO 0.08 -0.18 0.01 0.15 -2.88 0.00 0.00 179.24 176.43 1whq h PHE 65 N -0.16 0.02 -0.09 0.28 3.57 -1.51 -2.32 116.94 116.72 1whq h PHE 65 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1whq h PHE 65 Cb 0.29 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1whq h PHE 65 CO -0.25 0.08 -0.48 0.28 -2.23 0.00 0.00 178.31 175.70 1whq h VAL 66 N -0.04 0.07 -0.86 1.41 2.07 -1.11 0.82 116.25 118.62 1whq h VAL 66 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1whq h VAL 66 Cb 0.06 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 1whq h VAL 66 CO -0.00 0.00 0.57 -0.55 0.02 0.00 0.00 177.57 177.61 1whq h ASN 67 N -0.57 0.45 -0.25 0.57 7.08 -1.15 0.67 115.58 122.38 1whq h ASN 67 Ca 0.05 0.04 -0.13 0.00 -3.08 0.00 0.00 56.30 53.18 1whq h ASN 67 Cb 0.67 -0.05 -0.01 0.00 -2.08 0.00 0.00 38.32 36.85 1whq h ASN 67 CO -0.40 0.21 -0.30 0.22 -2.08 0.00 0.00 177.43 175.08 1whq h TYR 68 N 0.47 0.88 -0.86 4.14 3.20 -0.43 -2.74 116.97 121.62 1whq h TYR 68 Ca 0.44 -0.23 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1whq h TYR 68 Cb 0.99 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 1whq h TYR 68 CO -0.00 0.97 0.57 -0.07 -1.64 0.00 0.00 178.16 177.99 1whq h LEU 69 N 0.65 0.99 -0.51 2.82 3.38 0.13 -2.22 115.31 120.56 1whq h LEU 69 Ca 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1whq h LEU 69 Cb 0.83 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1whq h LEU 69 CO 0.07 0.72 0.02 0.58 0.09 0.00 0.00 178.44 179.92 1whq h VAL 70 N 1.17 1.26 -0.71 1.22 2.07 -1.36 0.32 116.25 120.22 1whq h VAL 70 Ca 0.32 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1whq h VAL 70 Cb -0.14 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1whq h VAL 70 CO -0.07 0.37 0.43 0.03 0.02 0.00 0.00 177.57 178.35 1whq h ARG 71 N 0.75 0.79 0.00 1.57 3.08 -1.15 0.67 114.38 120.08 1whq h ARG 71 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1whq h ARG 71 Cb 0.49 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1whq h ARG 71 CO 0.02 0.52 0.00 0.44 -1.07 0.00 0.00 179.97 179.88 1whq n ILE 72 N -4.70 0.00 -3.46 2.04 -5.35 -0.87 -4.87 119.36 102.15 1whq n ILE 72 Ca 0.09 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.37 1whq n ILE 72 Cb 0.13 -0.14 0.08 0.00 -1.74 0.00 0.00 39.64 37.97 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 -0.63 -4.27 -0.02 7.28 4.13 0.23 -4.91 115.26 117.06 1whq n ASN 73 Ca 0.06 -0.55 0.01 0.00 1.68 0.00 0.00 54.58 55.79 1whq n ASN 73 Cb 0.03 -4.85 -0.08 0.00 -1.54 0.00 0.00 39.78 33.34 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1whq n GLU 74 N -4.41 1.18 -4.08 3.52 -0.58 0.11 -5.01 120.64 111.37 1whq n GLU 74 Ca -0.12 -0.06 -0.15 0.00 -0.42 0.00 0.00 57.16 56.42 1whq n GLU 74 Cb 0.61 -1.25 -0.14 0.00 -0.57 0.00 0.00 31.44 30.09 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 -2.52 0.32 -0.05 2.62 1.01 -1.10 -4.94 120.40 115.74 1whq s VAL 75 Ca -0.04 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1whq s VAL 75 Cb 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1whq s VAL 75 CO 0.42 0.03 0.43 -0.54 0.00 0.00 0.00 175.10 175.44 1whq s LYS 76 N -0.24 4.11 0.50 2.72 1.02 -1.26 -4.01 119.74 122.59 1whq s LYS 76 Ca 0.00 0.41 0.16 0.00 0.02 0.00 0.00 55.97 56.56 1whq s LYS 76 Cb -0.02 -3.32 1.22 0.00 -0.52 0.00 0.00 37.83 35.19 1whq s LYS 76 CO -0.00 0.46 2.11 0.66 -0.92 0.00 0.00 175.35 177.66 1whq h SER 77 N 5.58 0.08 -0.17 2.83 4.64 -1.97 -0.87 113.55 123.67 1whq h SER 77 Ca -0.47 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1whq h SER 77 Cb 1.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1whq h SER 77 CO 0.68 0.06 0.31 -0.33 -0.87 0.00 0.00 176.83 176.67 1whq h GLU 78 N 0.09 0.00 0.08 4.77 4.39 -2.00 -0.75 114.58 121.17 1whq h GLU 78 Ca 0.07 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.41 1whq h GLU 78 Cb 0.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1whq h GLU 78 CO -0.01 0.00 -2.04 0.39 -1.16 0.00 0.00 179.01 176.19 1whq n GLU 79 N -3.39 0.72 -1.92 2.33 -0.58 -0.34 -4.92 120.64 112.54 1whq n GLU 79 Ca 0.02 0.24 -0.41 0.00 -0.42 0.00 0.00 57.16 56.59 1whq n GLU 79 Cb 0.41 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.56 2.34 1.00 2.62 1.01 -0.29 -5.00 120.40 119.53 1whq s VAL 80 Ca -0.21 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1whq s VAL 80 Cb 0.07 -3.21 0.19 0.00 0.00 0.00 0.00 36.38 33.43 1whq s VAL 80 CO 0.75 0.07 1.09 -2.16 0.00 0.00 0.00 175.10 174.86 1whq s PRO 81 N -1.56 0.45 0.37 2.72 0.04 -1.26 -4.95 135.00 130.80 1whq s PRO 81 Ca 0.54 0.54 0.08 0.00 0.04 0.00 0.00 61.00 62.20 1whq s PRO 81 Cb -0.44 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1whq s PRO 81 CO 0.55 -2.72 0.07 0.00 0.04 0.00 0.00 177.00 174.94 1whq s ALA 82 N -2.96 3.33 -0.44 8.56 0.00 -1.26 -5.06 121.76 123.93 1whq s ALA 82 Ca 0.65 -2.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 1whq s ALA 82 Cb -0.19 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1whq s ALA 82 CO 0.58 -0.04 0.46 0.54 0.00 0.00 0.00 175.76 177.29 1whq s VAL 83 N -2.57 5.08 -0.32 0.00 0.11 -1.26 -4.92 120.40 116.52 1whq s VAL 83 Ca 0.37 -0.49 0.13 0.00 -2.93 0.00 0.00 61.98 59.06 1whq s VAL 83 Cb 0.03 -4.09 0.47 0.00 -1.53 0.00 0.00 36.38 31.25 1whq s VAL 83 CO 0.20 -0.50 1.11 0.61 -3.33 0.00 0.00 175.10 173.19 1whq n GLY 84 N 5.14 4.16 3.83 6.54 0.00 -1.26 -5.08 105.19 118.52 1whq n GLY 84 Ca -0.08 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 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 -4.31 4.60 -0.01 -0.61 -4.36 -1.26 -5.07 121.20 110.19 1whq s ILE 85 Ca 0.39 1.16 -0.09 0.00 -0.26 0.00 0.00 60.65 61.85 1whq s ILE 85 Cb 0.39 -3.74 -0.05 0.00 1.25 0.00 0.00 42.46 40.31 1whq s ILE 85 CO -0.03 0.01 0.29 0.68 0.24 0.00 0.00 174.94 176.14 1whq s VAL 86 N -1.75 5.25 0.52 8.37 -7.23 -1.26 -5.08 120.40 119.22 1whq s VAL 86 Ca 0.49 0.36 -0.20 0.00 -1.81 0.00 0.00 61.98 60.81 1whq s VAL 86 Cb -0.14 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 1whq s VAL 86 CO 0.19 0.44 1.14 -2.16 -0.31 0.00 0.00 175.10 174.40 1whq s PRO 87 N -1.51 3.47 0.52 4.82 0.04 -1.26 -5.01 135.00 136.06 1whq s PRO 87 Ca 0.25 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 1whq s PRO 87 Cb -0.14 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1whq s PRO 87 CO 0.14 -0.76 1.14 -1.25 0.04 0.00 0.00 177.00 176.30 1whq s PRO 88 N -3.12 3.48 0.00 0.56 0.04 -1.26 -4.92 135.00 129.78 1whq s PRO 88 Ca 0.70 1.66 0.15 0.00 0.04 0.00 0.00 61.00 63.54 1whq s PRO 88 Cb -0.25 -2.13 0.70 0.00 0.04 0.00 0.00 34.50 32.87 1whq s PRO 88 CO 0.29 -0.75 1.42 -0.35 0.04 0.00 0.00 177.00 177.65 1whq n PRO 89 N -1.05 0.14 -0.97 0.56 -0.04 -1.26 -4.87 135.00 127.51 1whq n PRO 89 Ca 0.10 0.18 -0.33 0.00 -0.04 0.00 0.00 63.50 63.41 1whq n PRO 89 Cb 0.50 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.35 -4.93 -2.66 3.54 7.64 -1.26 -4.98 113.62 109.62 1whq n SER 90 Ca 0.06 0.28 -0.04 0.00 1.01 0.00 0.00 58.87 60.18 1whq n SER 90 Cb 0.13 -0.71 0.05 0.00 -1.01 0.00 0.00 64.21 62.67 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 2.94 -1.88 3.77 0.23 0.00 -1.26 -5.17 105.19 103.82 1whq n GLY 91 Ca 0.01 1.28 -0.31 0.00 0.00 0.00 0.00 46.02 47.00 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 0.62 2.30 0.00 1.61 0.04 -1.26 -5.00 135.00 133.32 1whq s PRO 92 Ca 0.24 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1whq s PRO 92 Cb 0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1whq s PRO 92 CO -0.10 -1.61 0.00 -1.13 0.04 0.00 0.00 177.00 174.20 1whq n SER 93 N -3.42 2.14 -0.23 6.66 3.41 -1.26 -4.82 113.62 116.10 1whq n SER 93 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.74 1whq n SER 93 Cb 0.53 0.03 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 1whq n SER 93 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1whq h SER 94 N 0.00 -0.28 0.00 4.04 4.64 -2.10 -3.59 113.55 116.26 1whq h SER 94 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1whq h SER 94 Cb 0.52 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1whq h SER 94 CO 0.00 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.43