#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 5.63 -0.11 1.61 0.01 -1.26 -5.11 113.70 114.48 1whq s SER -2 Ca 0.00 0.59 -0.30 0.00 1.31 0.00 0.00 55.95 57.55 1whq s SER -2 Cb 0.00 -1.63 0.12 0.00 0.21 0.00 0.00 66.02 64.71 1whq s SER -2 CO 0.00 -0.99 0.95 -0.94 0.41 0.00 0.00 173.24 172.67 1whq s SER -1 N -4.29 -0.38 0.66 2.44 1.04 -1.26 -5.17 113.70 106.75 1whq s SER -1 Ca 0.53 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.09 1whq s SER -1 Cb -0.10 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 1whq s SER -1 CO 0.43 -0.44 1.09 -0.83 0.98 0.00 0.00 173.24 174.47 1whq s GLY 0 N -1.59 2.06 0.40 7.32 0.00 -1.26 -4.99 107.32 109.26 1whq s GLY 0 Ca 0.00 0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.91 1whq s GLY 0 CO -0.01 0.78 1.25 -0.56 0.00 0.00 0.00 173.10 174.56 1whq s SER 1 N -2.81 6.40 -0.12 1.64 0.01 -1.26 -4.97 113.70 112.59 1whq s SER 1 Ca 0.65 2.53 -0.10 0.00 1.31 0.00 0.00 55.95 60.34 1whq s SER 1 Cb -0.19 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.36 1whq s SER 1 CO 0.43 -0.78 -0.21 -1.54 0.41 0.00 0.00 173.24 171.55 1whq n SER 2 N 0.12 1.40 0.00 2.44 3.41 -1.26 -5.14 113.62 114.58 1whq n SER 2 Ca 0.04 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1whq n SER 2 Cb 0.45 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1whq n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whq n GLY 3 N 2.12 -0.93 0.20 5.00 0.00 -1.26 -4.97 105.19 105.35 1whq n GLY 3 Ca -0.20 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 0.67 -0.05 -0.61 6.09 -1.97 -3.23 117.51 118.40 1whq h ILE 4 Ca 0.00 -1.35 0.03 0.00 -1.37 0.00 0.00 64.86 62.16 1whq h ILE 4 Cb 0.00 1.89 -0.03 0.00 0.47 0.00 0.00 36.82 39.15 1whq h ILE 4 CO 0.00 0.29 -0.11 0.50 -3.07 0.00 0.00 178.15 175.76 1whq h LYS 5 N 0.00 -0.15 -0.83 2.19 3.11 -1.91 -1.86 116.57 117.12 1whq h LYS 5 Ca -0.00 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.93 1whq h LYS 5 Cb 0.87 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.07 1whq h LYS 5 CO 0.04 -0.10 0.54 -0.97 -2.81 0.00 0.00 179.45 176.15 1whq h ASN 6 N -0.16 0.74 0.91 4.20 -1.24 -1.96 -1.15 115.58 116.93 1whq h ASN 6 Ca 0.06 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1whq h ASN 6 Cb 0.24 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1whq h ASN 6 CO -0.15 0.45 -0.49 0.15 -1.29 0.00 0.00 177.43 176.11 1whq h PHE 7 N 0.83 -1.29 0.58 0.67 3.57 -1.45 -1.53 116.94 118.33 1whq h PHE 7 Ca 0.38 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 1whq h PHE 7 Cb 0.36 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1whq h PHE 7 CO -0.00 -0.76 -0.42 1.25 -2.23 0.00 0.00 178.31 176.15 1whq h LEU 8 N -1.29 -1.09 -1.00 0.59 5.85 -1.14 -0.07 115.31 117.16 1whq h LEU 8 Ca -0.12 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1whq h LEU 8 Cb 1.01 0.33 -0.15 0.00 0.37 0.00 0.00 40.66 42.22 1whq h LEU 8 CO 0.17 -0.61 -0.46 0.00 -0.34 0.00 0.00 178.44 177.20 1whq n TYR 9 N -5.01 -0.13 0.27 1.25 9.36 -0.46 -0.25 117.16 122.19 1whq n TYR 9 Ca -0.12 1.24 -0.16 0.00 3.32 0.00 0.00 57.90 62.18 1whq n TYR 9 Cb 0.41 -0.77 -0.08 0.00 -0.63 0.00 0.00 39.34 38.27 1whq n TYR 9 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1whq h ALA 10 N 1.07 -0.80 -0.42 2.98 0.00 -1.14 -0.33 119.26 120.62 1whq h ALA 10 Ca 0.28 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1whq h ALA 10 Cb 0.53 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 1whq h ALA 10 CO -0.97 -0.97 -0.39 2.35 0.00 0.00 0.00 179.25 179.26 1whq h TRP 11 N -0.79 -1.12 -0.69 0.00 7.01 0.79 0.27 115.95 121.42 1whq h TRP 11 Ca -0.05 0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.09 1whq h TRP 11 Cb 0.67 0.55 -0.06 0.00 -2.10 0.00 0.00 29.16 28.22 1whq h TRP 11 CO -0.14 -0.42 0.37 0.00 -2.79 0.00 0.00 178.44 175.46 1whq h GLY 13 N 0.67 1.16 1.65 0.00 0.00 0.71 0.56 103.07 107.83 1whq h GLY 13 Ca 0.32 -0.60 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1whq h GLY 13 CO -0.21 0.57 0.13 0.50 0.00 0.00 0.00 176.54 177.53 1whq h LYS 14 N 1.07 0.04 -0.65 4.80 1.79 0.26 0.11 116.57 123.98 1whq h LYS 14 Ca 0.25 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1whq h LYS 14 Cb 0.17 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1whq h LYS 14 CO -0.03 0.02 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 1whq n ARG 15 N -4.49 4.17 -3.33 3.15 1.74 -0.85 -4.91 116.66 112.13 1whq n ARG 15 Ca 0.01 -2.59 -0.16 0.00 -0.77 0.00 0.00 57.85 54.35 1whq n ARG 15 Cb 0.24 -2.11 0.08 0.00 -1.02 0.00 0.00 32.46 29.65 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 0.54 -6.18 -4.22 5.56 4.01 0.37 -5.03 118.16 113.22 1whq n LYS 16 Ca 0.23 0.79 -0.13 0.00 -0.51 0.00 0.00 58.31 58.69 1whq n LYS 16 Cb 1.02 -5.64 -0.10 0.00 -0.51 0.00 0.00 35.03 29.80 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1whq s MET 17 N -5.27 0.98 -0.23 1.97 -1.94 0.13 -4.99 119.30 109.95 1whq s MET 17 Ca 0.00 -1.42 -0.04 0.00 -1.71 0.00 0.00 55.69 52.51 1whq s MET 17 Cb -0.00 -0.37 0.08 0.00 2.01 0.00 0.00 34.83 36.55 1whq s MET 17 CO 0.68 -0.01 0.11 0.99 -0.01 0.00 0.00 175.02 176.78 1whq s THR 18 N -3.53 -0.07 0.44 2.05 2.01 -1.26 -3.12 115.64 112.17 1whq s THR 18 Ca 0.16 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.45 1whq s THR 18 Cb 0.05 -0.79 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 1whq s THR 18 CO -0.01 -0.51 1.17 -2.16 -0.69 0.00 0.00 174.62 172.43 1whq s PRO 19 N 2.11 3.86 -0.03 4.92 0.04 -1.26 -4.91 135.00 139.73 1whq s PRO 19 Ca 0.06 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1whq s PRO 19 Cb -0.16 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1whq s PRO 19 CO -0.23 -0.48 0.01 0.00 0.04 0.00 0.00 177.00 176.34 1whq s ALA 20 N -1.49 3.33 -0.09 8.56 0.00 -1.20 -4.99 121.76 125.88 1whq s ALA 20 Ca 0.61 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1whq s ALA 20 Cb -0.30 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1whq s ALA 20 CO 0.37 0.63 -0.18 0.71 0.00 0.00 0.00 175.76 177.29 1whq s TYR 21 N -1.04 2.02 -0.07 0.00 2.02 -1.26 -3.38 117.35 115.64 1whq s TYR 21 Ca 0.18 -0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 1whq s TYR 21 Cb -0.12 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1whq s TYR 21 CO 0.08 -0.38 0.14 -2.00 -1.57 0.00 0.00 175.55 171.83 1whq s GLU 22 N 0.59 0.04 0.13 -0.62 2.12 -1.15 -5.02 118.70 114.79 1whq s GLU 22 Ca -0.15 0.49 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 1whq s GLU 22 Cb -0.17 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.91 1whq s GLU 22 CO 0.05 -0.27 0.30 0.42 -0.54 0.00 0.00 175.26 175.22 1whq s ILE 23 N 1.96 5.28 0.20 -3.70 1.09 -1.26 -2.16 121.20 122.62 1whq s ILE 23 Ca -0.00 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.30 1whq s ILE 23 Cb -0.12 -3.67 -0.05 0.00 -1.06 0.00 0.00 42.46 37.57 1whq s ILE 23 CO -0.05 0.01 -0.11 -0.60 -0.10 0.00 0.00 174.94 174.08 1whq s ARG 24 N -2.83 1.30 -0.23 2.79 3.52 0.32 -4.91 118.95 118.91 1whq s ARG 24 Ca 0.37 -1.59 -0.07 0.00 -0.13 0.00 0.00 55.73 54.31 1whq s ARG 24 Cb -0.12 -0.97 -0.03 0.00 -1.56 0.00 0.00 34.95 32.26 1whq s ARG 24 CO 0.27 0.12 0.06 0.00 -0.81 0.00 0.00 175.30 174.94 1whq s ALA 25 N -3.09 3.20 0.28 6.12 0.00 -1.26 -1.07 121.76 125.94 1whq s ALA 25 Ca 0.23 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1whq s ALA 25 Cb 0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1whq s ALA 25 CO 0.06 -0.31 0.17 0.14 0.00 0.00 0.00 175.76 175.82 1whq s VAL 26 N 1.30 0.22 0.00 0.00 -7.23 -0.96 -4.99 120.40 108.73 1whq s VAL 26 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1whq s VAL 26 Cb -0.15 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1whq s VAL 26 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1whq n GLY 27 N -0.52 -1.87 3.67 2.32 0.00 -1.26 -1.34 105.19 106.20 1whq n GLY 27 Ca 0.02 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.78 3.00 0.25 1.61 -0.87 -0.93 -4.67 114.94 110.56 1whq s ASN 28 Ca 0.00 1.95 -0.10 0.00 -1.57 0.00 0.00 52.86 53.15 1whq s ASN 28 Cb 0.00 -2.48 0.39 0.00 -0.02 0.00 0.00 41.25 39.13 1whq s ASN 28 CO 0.00 -3.01 1.60 0.50 -2.57 0.00 0.00 177.10 173.62 1whq h LYS 29 N -1.80 0.01 0.27 -0.60 3.64 -2.01 -0.40 116.57 115.68 1whq h LYS 29 Ca -0.46 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1whq h LYS 29 Cb 1.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1whq h LYS 29 CO 0.46 0.01 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.55 1whq h ASN 30 N 0.01 -0.31 -3.35 4.20 -1.24 -2.00 -3.35 115.58 109.54 1whq h ASN 30 Ca 0.41 -0.08 -0.77 0.00 0.71 0.00 0.00 56.30 56.57 1whq h ASN 30 Cb 0.65 0.08 -0.24 0.00 0.73 0.00 0.00 38.32 39.54 1whq h ASN 30 CO -0.83 -0.11 0.43 0.00 -1.29 0.00 0.00 177.43 175.62 1whq s ARG 31 N -5.61 3.78 0.07 6.67 1.70 -0.17 -5.03 118.95 120.36 1whq s ARG 31 Ca -0.15 -2.51 -0.16 0.00 -0.47 0.00 0.00 55.73 52.44 1whq s ARG 31 Cb 0.04 -4.61 -0.06 0.00 -0.57 0.00 0.00 34.95 29.75 1whq s ARG 31 CO 0.62 -1.41 0.50 -1.14 -1.08 0.00 0.00 175.30 172.79 1whq s GLN 32 N 0.44 4.02 0.10 3.89 0.74 -1.15 -2.18 119.66 125.52 1whq s GLN 32 Ca 0.26 0.53 -0.03 0.00 0.05 0.00 0.00 55.36 56.18 1whq s GLN 32 Cb -0.08 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 1whq s GLN 32 CO -0.08 0.60 0.06 0.21 -0.55 0.00 0.00 175.29 175.53 1whq s LYS 33 N -1.40 0.82 -0.19 1.67 2.20 -0.45 -4.89 119.74 117.51 1whq s LYS 33 Ca 0.30 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 1whq s LYS 33 Cb -0.17 0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.45 1whq s LYS 33 CO 0.17 -0.22 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.80 1whq s PHE 34 N -3.97 2.14 -0.30 4.03 0.08 -0.47 -2.27 117.98 117.24 1whq s PHE 34 Ca 0.15 -1.41 -0.13 0.00 0.12 0.00 0.00 56.93 55.66 1whq s PHE 34 Cb 0.07 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1whq s PHE 34 CO -0.04 -0.70 0.27 -1.64 -0.10 0.00 0.00 175.22 173.01 1whq s MET 35 N 1.49 3.84 -0.10 0.44 -1.94 -0.23 -2.54 119.30 120.26 1whq s MET 35 Ca -0.01 -0.29 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 1whq s MET 35 Cb -0.16 -3.70 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 1whq s MET 35 CO -0.08 -0.30 -0.12 0.00 -0.01 0.00 0.00 175.02 174.52 1whq s GLU 37 N -0.20 0.77 0.11 0.00 -1.05 -0.92 -0.33 118.70 117.09 1whq s GLU 37 Ca 0.01 -0.70 0.10 0.00 -0.15 0.00 0.00 54.97 54.23 1whq s GLU 37 Cb -0.13 -0.73 -0.04 0.00 -0.44 0.00 0.00 34.13 32.79 1whq s GLU 37 CO 0.03 0.17 -0.26 0.54 0.95 0.00 0.00 175.26 176.70 1whq s VAL 38 N -0.90 2.12 -0.01 1.83 0.11 0.42 -2.94 120.40 121.04 1whq s VAL 38 Ca -0.01 -1.67 0.01 0.00 -2.93 0.00 0.00 61.98 57.38 1whq s VAL 38 Cb -0.08 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 1whq s VAL 38 CO 0.01 0.09 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.71 1whq s ARG 39 N -1.93 0.25 -0.10 1.54 0.52 -1.22 -2.85 118.95 115.15 1whq s ARG 39 Ca 0.12 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.27 1whq s ARG 39 Cb -0.10 -0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.11 1whq s ARG 39 CO 0.05 0.02 -0.11 0.08 0.02 0.00 0.00 175.30 175.36 1whq s VAL 40 N 0.17 1.19 0.42 3.52 1.01 -1.26 -3.26 120.40 122.18 1whq s VAL 40 Ca -0.01 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.30 1whq s VAL 40 Cb -0.04 -1.14 -0.12 0.00 0.00 0.00 0.00 36.38 35.08 1whq s VAL 40 CO -0.00 0.39 0.70 1.21 0.00 0.00 0.00 175.10 177.39 1whq n GLU 41 N 4.51 0.80 0.00 2.72 2.13 -1.26 -2.02 120.64 127.52 1whq n GLU 41 Ca -0.17 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1whq n GLU 41 Cb 0.51 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.54 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 1.59 2.58 3.96 8.31 0.00 -1.26 -5.00 105.19 115.37 1whq n GLY 42 Ca 0.11 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 3.39 -0.24 1.61 0.08 -0.86 -5.05 117.98 116.29 1whq s PHE 43 Ca 0.00 0.11 -0.08 0.00 0.12 0.00 0.00 56.93 57.09 1whq s PHE 43 Cb 0.00 -1.84 -0.12 0.00 -0.57 0.00 0.00 43.02 40.49 1whq s PHE 43 CO 0.00 0.16 -0.28 0.09 -0.10 0.00 0.00 175.22 175.09 1whq n ASN 44 N -1.66 1.90 -4.76 1.36 3.02 -1.26 -4.74 115.26 109.12 1whq n ASN 44 Ca -0.05 0.16 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 1whq n ASN 44 Cb 0.57 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 1whq n ASN 44 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1whq s TYR 45 N -2.46 2.40 -0.07 3.10 5.04 -1.26 -4.99 117.35 119.11 1whq s TYR 45 Ca -0.34 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1whq s TYR 45 Cb 0.12 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.68 1whq s TYR 45 CO 0.47 -2.71 -0.05 0.00 -1.34 0.00 0.00 175.55 171.91 1whq s ALA 46 N -1.32 0.89 0.23 3.97 0.00 -1.26 -4.68 121.76 119.59 1whq s ALA 46 Ca 0.69 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1whq s ALA 46 Cb -0.39 -0.61 -0.11 0.00 0.00 0.00 0.00 23.12 22.01 1whq s ALA 46 CO 0.47 -0.17 1.61 0.20 0.00 0.00 0.00 175.76 177.87 1whq s GLY 47 N 1.26 1.72 -0.01 0.00 0.00 -1.13 -4.73 107.32 104.43 1whq s GLY 47 Ca -0.05 1.49 0.07 0.00 0.00 0.00 0.00 44.72 46.23 1whq s GLY 47 CO -0.02 2.64 -0.21 -3.16 0.00 0.00 0.00 173.10 172.35 1whq s MET 48 N 0.47 1.63 -0.03 2.90 0.23 -1.25 -0.43 119.30 122.82 1whq s MET 48 Ca 0.68 -0.78 -0.01 0.00 -1.03 0.00 0.00 55.69 54.55 1whq s MET 48 Cb -0.47 -1.61 0.02 0.00 -1.53 0.00 0.00 34.83 31.25 1whq s MET 48 CO 0.38 0.44 0.06 0.20 -2.03 0.00 0.00 175.02 174.06 1whq s GLY 49 N -0.61 0.03 -0.20 3.16 0.00 0.55 -4.30 107.32 105.95 1whq s GLY 49 Ca 0.08 0.31 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 1whq s GLY 49 CO -0.00 0.55 -0.10 0.54 0.00 0.00 0.00 173.10 174.08 1whq s ASN 50 N 0.73 3.92 0.25 1.64 4.22 -1.26 -1.14 114.94 123.30 1whq s ASN 50 Ca -0.06 -0.46 -0.11 0.00 -2.14 0.00 0.00 52.86 50.09 1whq s ASN 50 Cb -0.08 -1.65 -0.01 0.00 1.28 0.00 0.00 41.25 40.79 1whq s ASN 50 CO -0.03 0.01 0.44 -0.44 -2.04 0.00 0.00 177.10 175.05 1whq s SER 51 N 1.27 -0.01 0.19 3.54 0.01 -1.05 -4.88 113.70 112.77 1whq s SER 51 Ca 0.03 -1.02 0.19 0.00 1.31 0.00 0.00 55.95 56.46 1whq s SER 51 Cb -0.14 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1whq s SER 51 CO -0.05 -1.12 1.11 0.71 0.41 0.00 0.00 173.24 174.30 1whq h THR 52 N 2.28 0.37 -3.65 1.44 1.35 -1.90 -1.23 112.91 111.57 1whq h THR 52 Ca -0.27 -1.63 -0.68 0.00 -0.55 0.00 0.00 66.41 63.28 1whq h THR 52 Cb 1.25 1.95 -0.18 0.00 -1.73 0.00 0.00 68.15 69.44 1whq h THR 52 CO 0.38 0.21 -0.71 0.20 -0.25 0.00 0.00 175.52 175.34 1whq s ASN 53 N -5.85 4.56 0.11 5.36 0.01 -1.26 -4.71 114.94 113.17 1whq s ASN 53 Ca 0.00 -0.15 -0.27 0.00 -0.71 0.00 0.00 52.86 51.73 1whq s ASN 53 Cb 0.08 -1.05 -0.08 0.00 0.41 0.00 0.00 41.25 40.61 1whq s ASN 53 CO 0.77 0.29 1.63 0.11 -1.51 0.00 0.00 177.10 178.40 1whq h LYS 54 N 4.63 -0.46 0.04 -0.60 1.79 -1.94 -0.42 116.57 119.61 1whq h LYS 54 Ca -0.48 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.05 1whq h LYS 54 Cb 1.17 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.88 1whq h LYS 54 CO 0.53 -0.31 -0.31 -0.22 -1.08 0.00 0.00 179.45 178.06 1whq h LYS 55 N -0.48 -0.47 -0.20 3.15 1.63 -2.00 -1.31 116.57 116.90 1whq h LYS 55 Ca 0.03 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.92 1whq h LYS 55 Cb 0.51 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.17 1whq h LYS 55 CO -0.16 -0.31 -0.36 0.22 -3.45 0.00 0.00 179.45 175.39 1whq h ASP 56 N -0.49 -1.14 -0.76 4.20 3.58 -1.93 -1.05 116.42 118.82 1whq h ASP 56 Ca 0.05 0.17 0.16 0.00 0.42 0.00 0.00 57.03 57.83 1whq h ASP 56 Cb 0.55 0.49 -0.10 0.00 1.72 0.00 0.00 39.33 41.99 1whq h ASP 56 CO -0.23 -0.37 0.26 0.00 -2.88 0.00 0.00 179.24 176.01 1whq h ALA 57 N 0.38 1.06 -0.37 -0.78 0.00 -0.77 -0.66 119.26 118.12 1whq h ALA 57 Ca 0.11 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1whq h ALA 57 Cb 0.57 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1whq h ALA 57 CO -0.41 -0.28 0.13 1.96 0.00 0.00 0.00 179.25 180.65 1whq h GLN 58 N 0.36 0.28 -0.71 0.00 4.20 -0.05 -0.62 115.11 118.57 1whq h GLN 58 Ca 0.43 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.20 1whq h GLN 58 Cb 0.71 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 1whq h GLN 58 CO -0.46 0.19 0.39 0.77 -0.67 0.00 0.00 178.83 179.04 1whq h SER 59 N 0.29 0.56 0.11 1.46 0.02 -0.27 -2.56 113.55 113.16 1whq h SER 59 Ca 0.17 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1whq h SER 59 Cb 0.14 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1whq h SER 59 CO -0.17 0.35 -0.05 0.78 -1.14 0.00 0.00 176.83 176.60 1whq h ASN 60 N 0.70 -0.12 -0.75 3.07 2.35 -0.79 -2.76 115.58 117.28 1whq h ASN 60 Ca 0.33 -0.17 0.12 0.00 -0.55 0.00 0.00 56.30 56.02 1whq h ASN 60 Cb 0.25 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.53 1whq h ASN 60 CO -0.21 0.11 -0.38 0.00 -1.65 0.00 0.00 177.43 175.29 1whq h ALA 61 N 0.52 -0.04 0.38 -0.83 0.00 -0.75 -0.85 119.26 117.69 1whq h ALA 61 Ca -0.01 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1whq h ALA 61 Cb 0.29 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1whq h ALA 61 CO 0.02 -0.70 -0.42 0.00 0.00 0.00 0.00 179.25 178.15 1whq h ALA 62 N 1.04 -0.91 -0.71 0.00 0.00 -1.45 -2.81 119.26 114.42 1whq h ALA 62 Ca 0.26 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1whq h ALA 62 Cb 0.56 0.62 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1whq h ALA 62 CO -0.80 -1.05 -0.47 -0.09 0.00 0.00 0.00 179.25 176.84 1whq h ARG 63 N -0.83 -0.16 -0.75 0.00 9.65 -0.97 0.11 114.38 121.43 1whq h ARG 63 Ca -0.03 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 58.98 1whq h ARG 63 Cb 0.75 0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.24 1whq h ARG 63 CO -0.09 -0.10 -0.37 0.22 2.80 0.00 0.00 179.97 182.42 1whq h ASP 64 N -0.16 -1.33 -0.11 -3.80 1.82 -1.01 0.14 116.42 111.96 1whq h ASP 64 Ca 0.19 0.26 0.03 0.00 -0.39 0.00 0.00 57.03 57.13 1whq h ASP 64 Cb 0.54 0.67 -0.03 0.00 0.68 0.00 0.00 39.33 41.19 1whq h ASP 64 CO -0.78 -0.30 -0.09 0.15 -1.61 0.00 0.00 179.24 176.61 1whq h PHE 65 N -0.11 -0.22 -0.90 0.28 3.57 -0.79 -2.48 116.94 116.30 1whq h PHE 65 Ca 0.27 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.99 1whq h PHE 65 Cb 0.57 0.12 -0.17 0.00 2.79 0.00 0.00 35.95 39.25 1whq h PHE 65 CO -0.75 -0.14 -0.11 0.28 -2.23 0.00 0.00 178.31 175.37 1whq h VAL 66 N -0.10 0.12 -0.95 1.41 2.07 0.42 0.88 116.25 120.10 1whq h VAL 66 Ca 0.07 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.75 1whq h VAL 66 Cb 0.21 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.00 1whq h VAL 66 CO -0.18 0.00 0.60 0.78 0.02 0.00 0.00 177.57 178.80 1whq h ASN 67 N 0.02 0.68 0.54 0.57 2.35 -0.94 0.17 115.58 118.98 1whq h ASN 67 Ca 0.47 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 56.15 1whq h ASN 67 Cb 0.83 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1whq h ASN 67 CO -0.87 0.30 -0.63 0.22 -1.65 0.00 0.00 177.43 174.80 1whq h TYR 68 N 0.70 0.10 0.00 1.19 5.03 0.76 -1.32 116.97 123.43 1whq h TYR 68 Ca 0.50 -0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.68 1whq h TYR 68 Cb 0.84 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1whq h TYR 68 CO -0.00 0.68 -0.40 -0.07 -1.32 0.00 0.00 178.16 177.05 1whq h LEU 69 N 0.06 0.00 0.12 2.82 3.38 0.30 -2.63 115.31 119.36 1whq h LEU 69 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1whq h LEU 69 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1whq h LEU 69 CO 0.09 0.40 -1.77 0.58 0.09 0.00 0.00 178.44 177.83 1whq h VAL 70 N 0.00 0.88 -0.13 1.22 2.07 -1.09 0.28 116.25 119.48 1whq h VAL 70 Ca -0.00 -2.56 -0.05 0.00 0.82 0.00 0.00 66.70 64.91 1whq h VAL 70 Cb 0.90 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1whq h VAL 70 CO 0.05 0.81 -0.14 0.08 0.02 0.00 0.00 177.57 178.39 1whq h ARG 71 N 0.07 0.21 -0.01 1.57 0.11 -1.22 -1.26 114.38 113.85 1whq h ARG 71 Ca -0.33 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1whq h ARG 71 Cb 2.04 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 33.10 1whq h ARG 71 CO 0.13 0.36 -0.00 0.44 0.10 0.00 0.00 179.97 181.00 1whq n ILE 72 N -4.27 0.00 -2.79 0.08 -5.35 -1.00 -4.91 119.36 101.12 1whq n ILE 72 Ca -0.01 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 1whq n ILE 72 Cb 0.27 0.05 0.03 0.00 -1.74 0.00 0.00 39.64 38.25 1whq n ILE 72 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1whq n ASN 73 N -0.37 -3.85 -0.03 7.28 5.15 -0.47 -4.93 115.26 118.03 1whq n ASN 73 Ca 0.21 -0.19 0.03 0.00 -0.60 0.00 0.00 54.58 54.03 1whq n ASN 73 Cb 0.25 -2.60 -0.12 0.00 -0.53 0.00 0.00 39.78 36.77 1whq n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1whq n GLU 74 N -2.43 0.86 -3.83 1.20 -0.58 0.75 -4.97 120.64 111.64 1whq n GLU 74 Ca -0.03 -0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.47 1whq n GLU 74 Cb 0.54 -1.39 -0.15 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.87 -0.02 -0.13 2.62 1.01 0.09 -4.95 120.40 116.16 1whq s VAL 75 Ca -0.07 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 1whq s VAL 75 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.37 1whq s VAL 75 CO 0.66 0.05 0.64 -0.54 0.00 0.00 0.00 175.10 175.91 1whq s LYS 76 N 0.60 4.32 0.38 2.72 -0.14 -1.26 -4.11 119.74 122.25 1whq s LYS 76 Ca -0.05 0.71 0.17 0.00 -1.36 0.00 0.00 55.97 55.44 1whq s LYS 76 Cb -0.07 -3.50 1.09 0.00 -1.68 0.00 0.00 37.83 33.66 1whq s LYS 76 CO -0.02 -0.06 1.73 1.03 -0.76 0.00 0.00 175.35 177.28 1whq h SER 77 N 7.06 0.49 -1.41 2.83 0.87 -1.95 0.22 113.55 121.66 1whq h SER 77 Ca -0.37 0.11 0.42 0.00 -1.23 0.00 0.00 61.79 60.73 1whq h SER 77 Cb 1.17 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.08 1whq h SER 77 CO 0.77 0.03 0.96 -0.33 -0.53 0.00 0.00 176.83 177.74 1whq h GLU 78 N 0.39 0.08 0.11 2.24 4.39 -2.01 0.76 114.58 120.55 1whq h GLU 78 Ca 0.65 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 60.04 1whq h GLU 78 Cb 1.59 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1whq h GLU 78 CO -0.39 0.06 -1.58 0.93 -1.16 0.00 0.00 179.01 176.87 1whq h GLU 79 N 0.09 0.22 -6.71 2.33 4.39 -0.96 -3.46 114.58 110.48 1whq h GLU 79 Ca 0.75 -0.38 -0.53 0.00 0.34 0.00 0.00 59.36 59.54 1whq h GLU 79 Cb 2.64 0.14 0.06 0.00 -0.10 0.00 0.00 28.75 31.49 1whq h GLU 79 CO -0.20 1.07 0.86 0.08 -1.16 0.00 0.00 179.01 179.65 1whq s VAL 80 N -2.61 2.41 0.73 3.13 1.01 0.27 -4.98 120.40 120.36 1whq s VAL 80 Ca -0.10 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 1whq s VAL 80 Cb 0.07 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1whq s VAL 80 CO 0.84 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.92 1whq s PRO 81 N 0.18 2.45 0.24 2.72 0.04 -1.26 -4.95 135.00 134.42 1whq s PRO 81 Ca 0.65 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.99 1whq s PRO 81 Cb -0.45 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1whq s PRO 81 CO 0.40 -1.50 0.32 0.00 0.04 0.00 0.00 177.00 176.26 1whq s ALA 82 N -2.69 3.86 -0.38 8.56 0.00 -1.26 -5.06 121.76 124.79 1whq s ALA 82 Ca 0.63 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 1whq s ALA 82 Cb -0.18 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1whq s ALA 82 CO 0.51 0.26 0.27 0.54 0.00 0.00 0.00 175.76 177.34 1whq s VAL 83 N -1.99 5.25 0.00 0.00 0.11 -1.26 -5.03 120.40 117.48 1whq s VAL 83 Ca 0.34 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1whq s VAL 83 Cb -0.09 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1whq s VAL 83 CO 0.28 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 1whq n GLY 84 N 5.13 0.00 3.73 6.54 0.00 -1.26 -4.30 105.19 115.03 1whq n GLY 84 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.49 -0.51 -0.61 -0.00 -1.26 -4.99 121.20 117.31 1whq s ILE 85 Ca 0.00 1.14 0.04 0.00 -0.00 0.00 0.00 60.65 61.83 1whq s ILE 85 Cb 0.00 -3.73 0.16 0.00 -0.00 0.00 0.00 42.46 38.89 1whq s ILE 85 CO 0.00 0.13 0.36 -0.69 -0.00 0.00 0.00 174.94 174.74 1whq s VAL 86 N 0.58 1.34 0.96 8.37 1.01 -1.26 -5.12 120.40 126.28 1whq s VAL 86 Ca 0.59 -3.10 -0.12 0.00 0.00 0.00 0.00 61.98 59.35 1whq s VAL 86 Cb -0.34 -1.91 0.17 0.00 0.00 0.00 0.00 36.38 34.30 1whq s VAL 86 CO 0.34 -1.09 1.09 -2.16 0.00 0.00 0.00 175.10 173.28 1whq s PRO 87 N -0.31 0.72 0.49 2.72 0.04 -1.26 -5.01 135.00 132.38 1whq s PRO 87 Ca 0.27 0.63 -0.22 0.00 0.04 0.00 0.00 61.00 61.72 1whq s PRO 87 Cb -0.06 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1whq s PRO 87 CO -0.14 -2.56 1.15 -1.25 0.04 0.00 0.00 177.00 174.24 1whq s PRO 88 N -4.95 3.62 0.23 0.56 0.04 -1.26 -4.99 135.00 128.25 1whq s PRO 88 Ca 0.65 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1whq s PRO 88 Cb -0.18 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 1whq s PRO 88 CO 0.57 -0.65 1.28 -1.25 0.04 0.00 0.00 177.00 176.99 1whq s PRO 89 N -2.90 4.41 -1.03 0.56 0.04 -1.26 -4.98 135.00 129.85 1whq s PRO 89 Ca 0.67 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 1whq s PRO 89 Cb -0.27 -3.18 0.25 0.00 0.04 0.00 0.00 34.50 31.35 1whq s PRO 89 CO 0.32 -0.19 1.03 -1.12 0.04 0.00 0.00 177.00 177.08 1whq s SER 90 N 0.09 7.13 -0.38 6.66 0.01 -1.26 -4.91 113.70 121.03 1whq s SER 90 Ca 0.54 -3.26 0.02 0.00 1.31 0.00 0.00 55.95 54.56 1whq s SER 90 Cb -0.36 -2.22 0.16 0.00 0.21 0.00 0.00 66.02 63.80 1whq s SER 90 CO 0.41 -0.42 0.28 -0.83 0.41 0.00 0.00 173.24 173.09 1whq s GLY 91 N 1.71 1.03 0.26 3.44 0.00 -1.26 -5.12 107.32 107.37 1whq s GLY 91 Ca 0.28 -2.17 -0.29 0.00 0.00 0.00 0.00 44.72 42.53 1whq s GLY 91 CO -0.08 2.12 1.26 2.56 0.00 0.00 0.00 173.10 178.96 1whq s PRO 92 N 0.54 4.43 0.62 2.90 0.04 -1.26 -4.99 135.00 137.29 1whq s PRO 92 Ca 0.26 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1whq s PRO 92 Cb -0.09 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1whq s PRO 92 CO -0.10 -0.12 1.30 -1.13 0.04 0.00 0.00 177.00 176.99 1whq n SER 93 N 1.66 2.20 -3.66 6.66 3.41 -1.26 -5.03 113.62 117.59 1whq n SER 93 Ca 0.02 0.86 -0.10 0.00 -0.26 0.00 0.00 58.87 59.40 1whq n SER 93 Cb 0.43 -1.56 -0.08 0.00 -0.26 0.00 0.00 64.21 62.73 1whq n SER 93 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whq s SER 94 N -1.26 -0.73 0.00 4.04 0.01 -1.26 -5.34 113.70 109.15 1whq s SER 94 Ca 0.80 1.25 0.00 0.00 1.31 0.00 0.00 55.95 59.31 1whq s SER 94 Cb -0.39 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1whq s SER 94 CO 0.42 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.47