#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 2.17 0.15 1.61 0.01 -1.26 -5.03 113.70 111.35 1whq s SER -2 Ca 0.00 -0.33 -0.19 0.00 1.31 0.00 0.00 55.95 56.74 1whq s SER -2 Cb 0.00 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.53 1whq s SER -2 CO 0.00 -0.16 1.68 0.28 0.41 0.00 0.00 173.24 175.45 1whq h SER -1 N 8.21 -0.31 -4.07 2.44 0.02 -2.11 -3.48 113.55 114.26 1whq h SER -1 Ca -0.25 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1whq h SER -1 Cb 1.12 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1whq h SER -1 CO 0.36 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 1whq n GLY 0 N -1.26 4.39 3.47 -3.77 0.00 -1.26 -5.13 105.19 101.62 1whq n GLY 0 Ca -0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 1whq n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whq s SER 1 N 0.00 -0.89 0.37 1.61 0.01 -1.26 -5.15 113.70 108.39 1whq s SER 1 Ca 0.00 1.30 -0.28 0.00 1.31 0.00 0.00 55.95 58.28 1whq s SER 1 Cb 0.00 2.00 -0.10 0.00 0.21 0.00 0.00 66.02 68.13 1whq s SER 1 CO 0.00 -0.23 1.39 -0.55 0.41 0.00 0.00 173.24 174.26 1whq s SER 2 N 2.81 6.48 0.00 2.44 0.15 -1.26 -4.32 113.70 119.99 1whq s SER 2 Ca -0.01 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.50 1whq s SER 2 Cb -0.12 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1whq s SER 2 CO -0.17 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1whq n GLY 3 N 0.62 -0.53 0.08 9.45 0.00 -1.26 -4.94 105.19 108.60 1whq n GLY 3 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 1.11 -0.06 -0.61 0.13 -1.26 -4.36 119.36 114.32 1whq n ILE 4 Ca 0.00 -0.73 -0.10 0.00 -1.10 0.00 0.00 62.75 60.82 1whq n ILE 4 Cb 0.00 -0.47 -0.04 0.00 -0.84 0.00 0.00 39.64 38.30 1whq n ILE 4 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1whq h LYS 5 N 0.00 0.30 -0.67 9.51 3.11 -1.88 -2.48 116.57 124.46 1whq h LYS 5 Ca -0.44 -0.04 0.08 0.00 -2.81 0.00 0.00 60.65 57.45 1whq h LYS 5 Cb 1.99 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 33.12 1whq h LYS 5 CO 0.02 0.29 0.44 -0.97 -2.81 0.00 0.00 179.45 176.42 1whq h ASN 6 N 0.24 0.53 0.17 4.20 -0.73 -1.79 -0.77 115.58 117.43 1whq h ASN 6 Ca 0.08 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1whq h ASN 6 Cb 0.07 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1whq h ASN 6 CO -0.01 0.33 -0.09 0.15 -0.37 0.00 0.00 177.43 177.43 1whq h PHE 7 N 0.59 -0.25 -0.80 0.67 3.57 -1.64 0.56 116.94 119.64 1whq h PHE 7 Ca 0.30 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.91 1whq h PHE 7 Cb 0.41 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1whq h PHE 7 CO -0.00 -0.14 0.42 1.25 -2.23 0.00 0.00 178.31 177.60 1whq h LEU 8 N -0.24 0.55 0.04 0.59 5.85 -1.40 0.13 115.31 120.83 1whq h LEU 8 Ca -0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1whq h LEU 8 Cb 0.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1whq h LEU 8 CO 0.03 0.28 -0.21 0.22 -0.34 0.00 0.00 178.44 178.42 1whq h TYR 9 N 0.66 -0.56 0.03 1.25 3.20 -1.07 0.64 116.97 121.13 1whq h TYR 9 Ca 0.41 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 1whq h TYR 9 Cb 0.49 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1whq h TYR 9 CO -0.09 -0.30 -0.02 0.00 -1.64 0.00 0.00 178.16 176.12 1whq h ALA 10 N 0.49 -0.04 -0.90 1.82 0.00 -0.23 0.11 119.26 120.50 1whq h ALA 10 Ca 0.05 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1whq h ALA 10 Cb 0.41 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1whq h ALA 10 CO -0.16 -0.43 0.49 2.35 0.00 0.00 0.00 179.25 181.50 1whq h TRP 11 N -0.23 0.87 -0.08 0.00 7.01 -0.58 0.48 115.95 123.42 1whq h TRP 11 Ca -0.00 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.88 1whq h TRP 11 Cb 0.21 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1whq h TRP 11 CO -0.01 0.21 -0.53 0.00 -2.79 0.00 0.00 178.44 175.31 1whq h GLY 13 N 0.08 0.16 2.00 0.00 0.00 0.24 -0.25 103.07 105.29 1whq h GLY 13 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1whq h GLY 13 CO 0.11 0.05 -0.16 0.50 0.00 0.00 0.00 176.54 177.04 1whq h LYS 14 N 0.15 0.00 -0.72 4.80 1.79 -0.94 -2.49 116.57 119.15 1whq h LYS 14 Ca 0.06 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.13 1whq h LYS 14 Cb 0.07 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.48 1whq h LYS 14 CO -0.01 0.16 0.30 0.54 -1.08 0.00 0.00 179.45 179.36 1whq n ARG 15 N -3.59 2.20 -3.86 3.15 1.74 -0.25 -4.92 116.66 111.13 1whq n ARG 15 Ca -0.01 -3.19 -0.24 0.00 -0.77 0.00 0.00 57.85 53.64 1whq n ARG 15 Cb 0.30 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 -1.09 -4.01 -4.28 5.56 4.76 -0.94 -4.98 118.16 113.18 1whq n LYS 16 Ca 0.49 0.50 -0.20 0.00 -2.87 0.00 0.00 58.31 56.23 1whq n LYS 16 Cb 1.26 -4.83 -0.11 0.00 -1.84 0.00 0.00 35.03 29.50 1whq n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1whq s MET 17 N -6.34 1.14 -0.25 1.97 -1.94 -0.35 -5.00 119.30 108.53 1whq s MET 17 Ca 0.05 -1.32 -0.03 0.00 -1.71 0.00 0.00 55.69 52.68 1whq s MET 17 Cb -0.02 -1.10 0.08 0.00 2.01 0.00 0.00 34.83 35.80 1whq s MET 17 CO 0.86 0.22 0.08 0.99 -0.01 0.00 0.00 175.02 177.16 1whq s THR 18 N -2.11 0.42 0.21 2.05 2.01 -1.26 -3.38 115.64 113.58 1whq s THR 18 Ca 0.12 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1whq s THR 18 Cb -0.05 -1.17 -0.09 0.00 0.01 0.00 0.00 72.50 71.20 1whq s THR 18 CO 0.05 -0.49 1.30 -2.16 -0.69 0.00 0.00 174.62 172.62 1whq s PRO 19 N 1.87 4.40 -0.24 4.92 0.04 -1.26 -4.86 135.00 139.88 1whq s PRO 19 Ca 0.05 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 1whq s PRO 19 Cb -0.17 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1whq s PRO 19 CO -0.21 -0.22 0.10 0.00 0.04 0.00 0.00 177.00 176.72 1whq s ALA 20 N -0.05 3.36 0.01 8.56 0.00 -1.16 -4.99 121.76 127.50 1whq s ALA 20 Ca 0.55 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1whq s ALA 20 Cb -0.36 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1whq s ALA 20 CO 0.39 -0.29 -0.05 0.71 0.00 0.00 0.00 175.76 176.53 1whq s TYR 21 N 1.25 2.93 -0.10 0.00 1.51 -1.26 -3.14 117.35 118.54 1whq s TYR 21 Ca 0.06 -0.01 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1whq s TYR 21 Cb -0.14 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1whq s TYR 21 CO 0.05 0.41 0.22 -2.00 -1.11 0.00 0.00 175.55 173.11 1whq s GLU 22 N -1.55 0.15 -0.26 -0.62 2.12 -1.02 -5.00 118.70 112.51 1whq s GLU 22 Ca 0.18 0.55 -0.07 0.00 0.36 0.00 0.00 54.97 56.00 1whq s GLU 22 Cb -0.11 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.13 1whq s GLU 22 CO 0.09 -0.21 0.06 0.42 -0.54 0.00 0.00 175.26 175.08 1whq s ILE 23 N 1.62 4.09 0.34 -3.70 1.01 -1.26 -2.23 121.20 121.07 1whq s ILE 23 Ca -0.06 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1whq s ILE 23 Cb -0.11 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1whq s ILE 23 CO -0.08 0.29 0.31 -0.60 0.00 0.00 0.00 174.94 174.86 1whq s ARG 24 N 1.57 2.75 -0.19 2.79 3.52 0.28 -4.94 118.95 124.72 1whq s ARG 24 Ca 0.05 -1.28 -0.03 0.00 -0.13 0.00 0.00 55.73 54.34 1whq s ARG 24 Cb -0.15 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1whq s ARG 24 CO 0.02 0.08 -0.06 0.00 -0.81 0.00 0.00 175.30 174.54 1whq s ALA 25 N -2.30 2.80 0.28 6.12 0.00 -1.26 -1.84 121.76 125.57 1whq s ALA 25 Ca 0.41 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1whq s ALA 25 Cb -0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1whq s ALA 25 CO 0.27 -0.20 0.17 0.14 0.00 0.00 0.00 175.76 176.15 1whq s VAL 26 N 1.08 0.20 0.00 0.00 -7.23 -0.28 -4.99 120.40 109.18 1whq s VAL 26 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 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 -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1whq n GLY 27 N -0.52 0.62 3.82 2.32 0.00 -1.26 -0.58 105.19 109.60 1whq n GLY 27 Ca 0.02 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.32 5.78 0.17 1.61 0.01 -0.71 -4.77 114.94 115.71 1whq s ASN 28 Ca 0.00 1.67 -0.25 0.00 -0.71 0.00 0.00 52.86 53.57 1whq s ASN 28 Cb 0.00 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 39.20 1whq s ASN 28 CO 0.00 -1.17 1.58 0.11 -1.51 0.00 0.00 177.10 176.11 1whq h LYS 29 N -0.01 -0.23 -0.64 -0.60 1.57 -2.00 0.25 116.57 114.90 1whq h LYS 29 Ca -0.45 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 1whq h LYS 29 Cb 1.21 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 1whq h LYS 29 CO 0.58 -0.15 0.43 -0.91 -0.57 0.00 0.00 179.45 178.82 1whq h ASN 30 N -0.24 0.60 -4.14 0.86 4.21 -2.02 -3.32 115.58 111.53 1whq h ASN 30 Ca 0.18 -0.00 -0.67 0.00 1.21 0.00 0.00 56.30 57.01 1whq h ASN 30 Cb 0.56 -0.13 -0.37 0.00 -1.12 0.00 0.00 38.32 37.26 1whq h ASN 30 CO -0.65 0.40 -0.49 -0.13 -1.29 0.00 0.00 177.43 175.27 1whq s ARG 31 N -5.62 2.25 0.32 0.81 3.00 0.86 -5.09 118.95 115.49 1whq s ARG 31 Ca -0.09 -2.47 -0.28 0.00 0.00 0.00 0.00 55.73 52.89 1whq s ARG 31 Cb 0.19 -3.55 -0.09 0.00 0.00 0.00 0.00 34.95 31.50 1whq s ARG 31 CO 0.76 -1.13 1.06 -1.14 0.00 0.00 0.00 175.30 174.85 1whq s GLN 32 N 0.00 4.50 0.01 3.54 0.74 -1.11 -1.73 119.66 125.61 1whq s GLN 32 Ca 0.16 1.66 -0.06 0.00 0.05 0.00 0.00 55.36 57.17 1whq s GLN 32 Cb -0.22 -2.97 -0.00 0.00 1.10 0.00 0.00 33.01 30.92 1whq s GLN 32 CO -0.03 0.13 0.10 0.15 -0.55 0.00 0.00 175.29 175.09 1whq s LYS 33 N -1.79 0.45 -0.04 1.67 -0.14 0.26 -4.72 119.74 115.43 1whq s LYS 33 Ca 0.49 -0.45 0.03 0.00 -1.36 0.00 0.00 55.97 54.67 1whq s LYS 33 Cb -0.27 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 1whq s LYS 33 CO 0.35 -0.10 -0.12 -0.06 -0.76 0.00 0.00 175.35 174.65 1whq s PHE 34 N -1.44 1.29 -0.05 3.18 0.08 -1.22 -1.13 117.98 118.70 1whq s PHE 34 Ca -0.15 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.58 1whq s PHE 34 Cb -0.08 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.44 1whq s PHE 34 CO 0.01 -0.15 -0.19 -1.64 -0.10 0.00 0.00 175.22 173.15 1whq s MET 35 N 0.23 2.45 -0.04 0.44 -1.94 -0.77 -2.67 119.30 117.00 1whq s MET 35 Ca -0.05 -0.78 0.05 0.00 -1.71 0.00 0.00 55.69 53.19 1whq s MET 35 Cb -0.11 -2.28 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 1whq s MET 35 CO 0.02 0.56 -0.19 0.00 -0.01 0.00 0.00 175.02 175.40 1whq s GLU 37 N -0.03 1.15 -0.06 0.00 -1.05 -0.95 -2.10 118.70 115.67 1whq s GLU 37 Ca -0.03 -0.35 0.02 0.00 -0.15 0.00 0.00 54.97 54.46 1whq s GLU 37 Cb -0.12 -1.05 0.02 0.00 -0.44 0.00 0.00 34.13 32.55 1whq s GLU 37 CO 0.02 0.11 -0.09 0.54 0.95 0.00 0.00 175.26 176.79 1whq s VAL 38 N 0.27 0.89 0.15 1.83 0.11 -1.09 -2.44 120.40 120.12 1whq s VAL 38 Ca -0.05 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 1whq s VAL 38 Cb -0.10 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1whq s VAL 38 CO 0.01 0.30 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.82 1whq s ARG 39 N 0.80 1.12 -0.03 1.54 0.52 -1.19 -0.39 118.95 121.33 1whq s ARG 39 Ca -0.13 -1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 53.71 1whq s ARG 39 Cb -0.15 -0.95 0.03 0.00 0.52 0.00 0.00 34.95 34.40 1whq s ARG 39 CO 0.02 0.17 0.04 0.08 0.02 0.00 0.00 175.30 175.62 1whq s VAL 40 N -2.52 -0.05 0.61 3.52 1.01 -1.26 -2.97 120.40 118.74 1whq s VAL 40 Ca 0.14 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1whq s VAL 40 Cb -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 36.38 36.11 1whq s VAL 40 CO 0.04 0.12 -0.01 1.21 0.00 0.00 0.00 175.10 176.46 1whq n GLU 41 N 4.50 0.13 0.00 2.72 2.13 -1.26 -1.77 120.64 127.09 1whq n GLU 41 Ca -0.21 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1whq n GLU 41 Cb 0.50 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.97 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 2.39 1.72 3.90 8.31 0.00 -1.26 -4.96 105.19 115.29 1whq n GLY 42 Ca 0.08 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.21 3.47 -0.33 1.61 0.08 -0.73 -5.01 117.98 116.86 1whq s PHE 43 Ca 0.00 0.61 0.08 0.00 0.12 0.00 0.00 56.93 57.74 1whq s PHE 43 Cb 0.00 -2.06 0.56 0.00 -0.57 0.00 0.00 43.02 40.95 1whq s PHE 43 CO 0.00 0.31 1.60 0.09 -0.10 0.00 0.00 175.22 177.12 1whq n ASN 44 N -0.38 2.97 -4.56 1.36 4.13 -1.26 -4.66 115.26 112.86 1whq n ASN 44 Ca -0.02 -3.68 -0.29 0.00 1.68 0.00 0.00 54.58 52.28 1whq n ASN 44 Cb 0.53 -0.69 -0.10 0.00 -1.54 0.00 0.00 39.78 37.98 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 -3.23 2.66 -0.25 3.10 5.04 -1.26 -5.12 117.35 118.29 1whq s TYR 45 Ca 0.48 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.88 1whq s TYR 45 Cb 0.42 -1.36 0.08 0.00 0.35 0.00 0.00 41.96 41.46 1whq s TYR 45 CO 0.04 0.45 0.07 0.00 -1.34 0.00 0.00 175.55 174.77 1whq s ALA 46 N -1.38 1.10 -0.29 3.97 0.00 -1.26 -4.33 121.76 119.57 1whq s ALA 46 Ca 0.22 -1.08 -0.41 0.00 0.00 0.00 0.00 51.96 50.68 1whq s ALA 46 Cb -0.10 -1.36 -0.17 0.00 0.00 0.00 0.00 23.12 21.49 1whq s ALA 46 CO 0.13 -1.42 1.66 0.41 0.00 0.00 0.00 175.76 176.54 1whq n GLY 47 N 5.02 0.63 3.50 0.00 0.00 0.48 -4.70 105.19 110.12 1whq n GLY 47 Ca -0.06 0.92 -0.37 0.00 0.00 0.00 0.00 46.02 46.51 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 3.05 3.77 -0.02 1.61 0.23 -1.26 -2.67 119.30 124.01 1whq s MET 48 Ca 0.99 -0.41 0.01 0.00 -1.03 0.00 0.00 55.69 55.24 1whq s MET 48 Cb -1.17 -3.46 0.01 0.00 -1.53 0.00 0.00 34.83 28.68 1whq s MET 48 CO 0.68 -0.19 -0.04 0.20 -2.03 0.00 0.00 175.02 173.64 1whq s GLY 49 N 1.67 0.27 -0.02 3.16 0.00 -0.89 -4.47 107.32 107.04 1whq s GLY 49 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1whq s GLY 49 CO 0.07 0.09 -0.05 0.54 0.00 0.00 0.00 173.10 173.75 1whq s ASN 50 N 0.30 0.72 -0.29 1.64 4.22 -1.26 -1.31 114.94 118.95 1whq s ASN 50 Ca -0.03 -0.10 -0.20 0.00 -2.14 0.00 0.00 52.86 50.39 1whq s ASN 50 Cb -0.07 -0.21 0.16 0.00 1.28 0.00 0.00 41.25 42.42 1whq s ASN 50 CO -0.00 0.01 1.15 -0.44 -2.04 0.00 0.00 177.10 175.78 1whq s SER 51 N 0.32 -0.30 0.60 3.54 0.01 -1.09 -4.77 113.70 112.01 1whq s SER 51 Ca -0.04 0.53 0.28 0.00 1.31 0.00 0.00 55.95 58.03 1whq s SER 51 Cb -0.07 0.86 1.28 0.00 0.21 0.00 0.00 66.02 68.30 1whq s SER 51 CO -0.00 -0.09 1.68 0.71 0.41 0.00 0.00 173.24 175.95 1whq h THR 52 N 4.27 0.21 -2.99 1.44 1.35 -1.84 -3.23 112.91 112.11 1whq h THR 52 Ca -0.28 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.93 1whq h THR 52 Cb 1.18 0.40 -0.09 0.00 -1.73 0.00 0.00 68.15 67.91 1whq h THR 52 CO 0.18 0.00 -0.55 0.20 -0.25 0.00 0.00 175.52 175.10 1whq s ASN 53 N -4.53 5.88 0.00 5.36 0.01 -1.26 -4.55 114.94 115.86 1whq s ASN 53 Ca -0.04 0.24 -0.24 0.00 -0.71 0.00 0.00 52.86 52.11 1whq s ASN 53 Cb 0.15 -1.76 -0.16 0.00 0.41 0.00 0.00 41.25 39.89 1whq s ASN 53 CO 0.50 0.31 1.16 0.11 -1.51 0.00 0.00 177.10 177.67 1whq h LYS 54 N 4.33 -0.44 -0.72 -0.60 1.57 -1.94 -1.42 116.57 117.34 1whq h LYS 54 Ca -0.50 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.46 1whq h LYS 54 Cb 1.19 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.47 1whq h LYS 54 CO 0.62 -0.12 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.10 1whq h LYS 55 N -0.83 0.06 0.16 3.15 3.64 -1.96 -0.18 116.57 120.61 1whq h LYS 55 Ca -0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1whq h LYS 55 Cb 0.53 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1whq h LYS 55 CO 0.08 0.04 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.78 1whq h ASP 56 N 0.06 -0.19 -1.03 4.20 5.19 -1.92 -2.17 116.42 120.56 1whq h ASP 56 Ca 0.38 -0.14 0.26 0.00 -0.62 0.00 0.00 57.03 56.91 1whq h ASP 56 Cb 0.63 0.05 -0.09 0.00 0.18 0.00 0.00 39.33 40.10 1whq h ASP 56 CO -0.67 0.03 0.67 0.00 -3.12 0.00 0.00 179.24 176.15 1whq h ALA 57 N 0.39 2.30 -0.18 3.45 0.00 -0.06 0.23 119.26 125.40 1whq h ALA 57 Ca -0.02 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1whq h ALA 57 Cb 0.32 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1whq h ALA 57 CO 0.04 -0.69 -0.72 1.96 0.00 0.00 0.00 179.25 179.84 1whq h GLN 58 N 0.36 0.79 0.00 0.00 4.20 -0.81 -1.98 115.11 117.67 1whq h GLN 58 Ca 0.57 -0.61 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1whq h GLN 58 Cb 1.52 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.41 1whq h GLN 58 CO -0.25 1.22 -0.24 0.66 -0.67 0.00 0.00 178.83 179.55 1whq h SER 59 N 0.56 0.00 0.20 1.46 4.64 0.00 -2.40 113.55 118.01 1whq h SER 59 Ca -0.04 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.00 1whq h SER 59 Cb 1.34 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.46 1whq h SER 59 CO 0.15 0.24 -1.30 0.78 -0.87 0.00 0.00 176.83 175.83 1whq h ASN 60 N 0.00 0.65 0.42 4.97 2.35 -0.90 -3.07 115.58 120.00 1whq h ASN 60 Ca -0.00 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 54.80 1whq h ASN 60 Cb 0.62 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1whq h ASN 60 CO 0.03 1.61 -0.20 0.00 -1.65 0.00 0.00 177.43 177.22 1whq h ALA 61 N 0.10 -0.57 -0.55 -0.83 0.00 -1.24 0.15 119.26 116.32 1whq h ALA 61 Ca -0.24 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1whq h ALA 61 Cb 1.95 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.90 1whq h ALA 61 CO 0.20 -0.78 0.21 0.00 0.00 0.00 0.00 179.25 178.88 1whq h ALA 62 N -0.11 0.69 0.64 0.00 0.00 -1.59 -2.80 119.26 116.09 1whq h ALA 62 Ca -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1whq h ALA 62 Cb 0.48 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1whq h ALA 62 CO 0.10 -0.19 -0.31 -0.09 0.00 0.00 0.00 179.25 178.76 1whq h ARG 63 N 0.40 -0.83 -0.77 0.00 1.12 -1.43 -2.88 114.38 109.99 1whq h ARG 63 Ca 0.27 0.06 0.15 0.00 -1.11 0.00 0.00 59.98 59.34 1whq h ARG 63 Cb 0.29 0.19 -0.14 0.00 -0.01 0.00 0.00 29.97 30.29 1whq h ARG 63 CO -0.26 -0.51 -0.20 -0.25 -3.11 0.00 0.00 179.97 175.63 1whq n ASP 64 N -5.40 -0.30 -0.10 -3.80 9.92 0.50 0.16 116.55 117.53 1whq n ASP 64 Ca -0.12 1.33 -0.09 0.00 -0.53 0.00 0.00 54.79 55.38 1whq n ASP 64 Cb 0.37 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.44 1whq n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1whq h PHE 65 N 0.00 0.44 -0.98 1.24 3.04 -1.44 -2.53 116.94 116.71 1whq h PHE 65 Ca 0.36 0.01 0.28 0.00 3.98 0.00 0.00 57.97 62.59 1whq h PHE 65 Cb 0.55 -0.15 -0.14 0.00 2.56 0.00 0.00 35.95 38.78 1whq h PHE 65 CO -0.60 0.30 0.52 0.28 -2.02 0.00 0.00 178.31 176.78 1whq h VAL 66 N 0.46 0.39 -0.86 1.41 2.07 0.17 0.39 116.25 120.28 1whq h VAL 66 Ca 0.12 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1whq h VAL 66 Cb -0.03 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.66 1whq h VAL 66 CO -0.03 0.07 0.56 0.78 0.02 0.00 0.00 177.57 178.98 1whq h ASN 67 N 0.39 0.95 -0.61 0.57 2.35 -0.99 -2.05 115.58 116.19 1whq h ASN 67 Ca 0.67 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.36 1whq h ASN 67 Cb 1.40 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1whq h ASN 67 CO -0.57 0.67 0.23 0.22 -1.65 0.00 0.00 177.43 176.34 1whq h TYR 68 N 1.12 0.98 -0.67 1.19 3.20 -0.24 -2.37 116.97 120.17 1whq h TYR 68 Ca 0.33 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 1whq h TYR 68 Cb -0.05 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 1whq h TYR 68 CO -0.02 0.77 0.42 -0.07 -1.64 0.00 0.00 178.16 177.62 1whq h LEU 69 N 0.94 0.79 -0.67 2.82 3.38 -0.84 -1.99 115.31 119.73 1whq h LEU 69 Ca 0.22 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1whq h LEU 69 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1whq h LEU 69 CO -0.01 0.61 0.17 0.58 0.09 0.00 0.00 178.44 179.87 1whq h VAL 70 N 0.91 1.26 -0.22 1.22 2.07 -1.15 0.26 116.25 120.60 1whq h VAL 70 Ca 0.24 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1whq h VAL 70 Cb -0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1whq h VAL 70 CO -0.05 0.36 0.13 0.03 0.02 0.00 0.00 177.57 178.06 1whq h ARG 71 N 1.00 0.26 0.00 1.57 2.47 -1.04 -0.80 114.38 117.84 1whq h ARG 71 Ca 0.21 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1whq h ARG 71 Cb 0.36 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1whq h ARG 71 CO 0.00 0.17 0.00 0.44 0.56 0.00 0.00 179.97 181.14 1whq n ILE 72 N -4.96 0.29 -2.80 2.04 -5.35 -0.79 -4.86 119.36 102.94 1whq n ILE 72 Ca -0.03 0.07 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 1whq n ILE 72 Cb 0.04 -0.78 0.04 0.00 -1.74 0.00 0.00 39.64 37.20 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 -1.18 -2.98 -0.02 7.28 5.15 -0.31 -4.96 115.26 118.25 1whq n ASN 73 Ca 0.11 -0.25 0.01 0.00 -0.60 0.00 0.00 54.58 53.84 1whq n ASN 73 Cb 0.11 -2.48 -0.07 0.00 -0.53 0.00 0.00 39.78 36.81 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 -2.40 1.26 -4.11 1.20 -0.58 0.86 -4.99 120.64 111.88 1whq n GLU 74 Ca -0.06 -0.05 -0.19 0.00 -0.42 0.00 0.00 57.16 56.44 1whq n GLU 74 Cb 0.55 -1.23 -0.16 0.00 -0.57 0.00 0.00 31.44 30.03 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 -2.47 0.44 -0.05 2.62 1.01 -1.15 -4.95 120.40 115.85 1whq s VAL 75 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1whq s VAL 75 Cb 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1whq s VAL 75 CO 0.38 0.20 1.07 -0.54 0.00 0.00 0.00 175.10 176.21 1whq s LYS 76 N 0.85 4.44 0.38 2.72 1.02 -1.26 -4.00 119.74 123.88 1whq s LYS 76 Ca -0.11 1.51 0.15 0.00 0.02 0.00 0.00 55.97 57.55 1whq s LYS 76 Cb -0.14 -3.51 1.02 0.00 -0.52 0.00 0.00 37.83 34.69 1whq s LYS 76 CO -0.00 -0.28 1.79 0.66 -0.92 0.00 0.00 175.35 176.59 1whq h SER 77 N 7.09 0.52 -1.31 2.83 4.64 -1.95 0.18 113.55 125.55 1whq h SER 77 Ca -0.35 0.08 0.38 0.00 -0.47 0.00 0.00 61.79 61.43 1whq h SER 77 Cb 1.17 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 1whq h SER 77 CO 0.83 0.14 0.94 -0.33 -0.87 0.00 0.00 176.83 177.54 1whq h GLU 78 N 0.48 0.03 0.02 4.77 4.39 -2.00 0.73 114.58 122.99 1whq h GLU 78 Ca 0.57 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.99 1whq h GLU 78 Cb 1.31 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.91 1whq h GLU 78 CO -0.30 0.02 -1.58 0.93 -1.16 0.00 0.00 179.01 176.92 1whq h GLU 79 N 0.03 0.04 -6.55 2.33 4.39 -1.03 -3.46 114.58 110.33 1whq h GLU 79 Ca 0.64 -0.06 -0.53 0.00 0.34 0.00 0.00 59.36 59.75 1whq h GLU 79 Cb 2.47 0.02 0.03 0.00 -0.10 0.00 0.00 28.75 31.18 1whq h GLU 79 CO -0.05 0.68 0.92 0.08 -1.16 0.00 0.00 179.01 179.49 1whq s VAL 80 N -2.62 2.78 0.46 3.13 1.01 0.25 -5.00 120.40 120.41 1whq s VAL 80 Ca -0.05 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1whq s VAL 80 Cb 0.08 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 33.28 1whq s VAL 80 CO 0.82 0.02 0.41 -0.81 0.00 0.00 0.00 175.10 175.55 1whq n PRO 81 N 4.57 -1.83 -4.95 2.72 -0.04 -1.26 -4.96 135.00 129.24 1whq n PRO 81 Ca 0.15 -0.66 -0.33 0.00 -0.04 0.00 0.00 63.50 62.62 1whq n PRO 81 Cb 0.39 -0.62 -0.15 0.00 -0.04 0.00 0.00 33.50 33.09 1whq n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whq s ALA 82 N -2.99 2.48 -1.36 0.55 0.00 -1.26 -4.98 121.76 114.20 1whq s ALA 82 Ca 0.27 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1whq s ALA 82 Cb -0.03 -1.02 0.19 0.00 0.00 0.00 0.00 23.12 22.26 1whq s ALA 82 CO 0.20 0.33 0.98 1.55 0.00 0.00 0.00 175.76 178.82 1whq n VAL 83 N 3.25 1.12 0.00 0.00 3.14 -1.26 -4.88 118.33 119.70 1whq n VAL 83 Ca -0.18 0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1whq n VAL 83 Cb 0.53 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 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 -0.98 1.78 3.72 7.55 0.00 -1.26 -5.06 105.19 110.93 1whq n GLY 84 Ca 0.02 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 4.88 0.07 -0.61 1.01 -1.26 -5.05 121.20 120.23 1whq s ILE 85 Ca 0.00 1.70 -0.10 0.00 0.00 0.00 0.00 60.65 62.25 1whq s ILE 85 Cb 0.00 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1whq s ILE 85 CO 0.00 0.26 0.39 0.68 0.00 0.00 0.00 174.94 176.27 1whq s VAL 86 N 0.56 5.12 0.50 2.92 -7.23 -1.26 -5.08 120.40 115.93 1whq s VAL 86 Ca 0.42 0.42 -0.21 0.00 -1.81 0.00 0.00 61.98 60.81 1whq s VAL 86 Cb -0.20 -3.64 -0.07 0.00 0.56 0.00 0.00 36.38 33.04 1whq s VAL 86 CO 0.23 0.30 1.15 -2.16 -0.31 0.00 0.00 175.10 174.30 1whq s PRO 87 N -1.88 3.55 0.51 4.82 0.04 -1.26 -5.01 135.00 135.76 1whq s PRO 87 Ca 0.32 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 1whq s PRO 87 Cb -0.14 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 1whq s PRO 87 CO 0.18 -0.71 1.14 -1.25 0.04 0.00 0.00 177.00 176.41 1whq s PRO 88 N -3.01 3.54 -0.36 0.56 0.04 -1.26 -4.95 135.00 129.56 1whq s PRO 88 Ca 0.68 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 63.12 1whq s PRO 88 Cb -0.26 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1whq s PRO 88 CO 0.30 -0.71 1.70 -1.25 0.04 0.00 0.00 177.00 177.09 1whq s PRO 89 N -3.02 3.37 0.03 0.56 0.04 -1.26 -4.97 135.00 129.75 1whq s PRO 89 Ca 0.69 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1whq s PRO 89 Cb -0.26 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.11 1whq s PRO 89 CO 0.30 -1.81 0.10 0.45 0.04 0.00 0.00 177.00 176.08 1whq s SER 90 N 5.61 0.16 -0.26 6.66 0.15 -1.26 -5.17 113.70 119.58 1whq s SER 90 Ca 0.75 -0.48 -0.27 0.00 0.70 0.00 0.00 55.95 56.65 1whq s SER 90 Cb -0.20 0.22 0.17 0.00 -1.71 0.00 0.00 66.02 64.49 1whq s SER 90 CO 0.33 -0.47 1.25 -0.83 1.20 0.00 0.00 173.24 174.72 1whq s GLY 91 N -1.97 0.06 0.44 9.45 0.00 -1.26 -5.03 107.32 109.02 1whq s GLY 91 Ca -0.07 2.87 0.23 0.00 0.00 0.00 0.00 44.72 47.75 1whq s GLY 91 CO -0.03 1.51 1.87 -0.56 0.00 0.00 0.00 173.10 175.88 1whq h PRO 92 N 2.93 0.00 -0.51 2.90 0.13 -2.05 -3.32 132.00 132.08 1whq h PRO 92 Ca -0.20 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 1whq h PRO 92 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1whq h PRO 92 CO 0.20 0.24 -0.30 0.45 -0.23 0.00 0.00 178.00 178.36 1whq n SER 93 N -3.51 -0.55 -4.59 1.44 2.88 -1.26 -3.97 113.62 104.07 1whq n SER 93 Ca -0.01 1.16 -0.43 0.00 -1.33 0.00 0.00 58.87 58.26 1whq n SER 93 Cb 0.40 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1whq n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whq n SER 94 N -4.25 3.09 -0.13 -3.46 2.88 -1.25 -5.33 113.62 105.17 1whq n SER 94 Ca 0.01 0.12 0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1whq n SER 94 Cb 0.13 -1.55 0.01 0.00 -0.75 0.00 0.00 64.21 62.06 1whq n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42