#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s GLN 4 N 0.00 2.09 -0.03 1.20 -1.52 -1.26 -5.01 119.66 115.13 2wwl s GLN 4 Ca 0.00 -2.28 -0.01 0.00 -1.95 0.00 0.00 55.36 51.11 2wwl s GLN 4 Cb 0.00 -1.49 0.02 0.00 -0.22 0.00 0.00 33.01 31.32 2wwl s GLN 4 CO 0.00 -0.27 0.06 0.71 -0.25 0.00 0.00 175.29 175.54 2wwl s TYR 5 N -2.86 -0.05 0.19 0.91 2.02 -1.20 -5.00 117.35 111.36 2wwl s TYR 5 Ca 0.17 0.19 0.09 0.00 -0.37 0.00 0.00 57.07 57.14 2wwl s TYR 5 Cb 0.04 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 2wwl s TYR 5 CO 0.09 -0.07 -0.06 -0.47 -1.57 0.00 0.00 175.55 173.47 2wwl s TYR 6 N 0.51 2.68 0.15 2.71 5.04 -1.26 -1.00 117.35 126.18 2wwl s TYR 6 Ca -0.04 -0.21 -0.11 0.00 -2.44 0.00 0.00 57.07 54.28 2wwl s TYR 6 Cb -0.06 -1.28 0.00 0.00 0.35 0.00 0.00 41.96 40.97 2wwl s TYR 6 CO -0.02 0.53 0.31 0.20 -1.34 0.00 0.00 175.55 175.24 2wwl s GLY 7 N -3.00 0.27 0.00 8.97 0.00 -1.15 -4.45 107.32 107.96 2wwl s GLY 7 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2wwl s GLY 7 CO 0.17 -0.70 0.00 -1.30 0.00 0.00 0.00 173.10 171.26 2wwl n THR 8 N -0.21 0.00 0.00 0.90 -2.24 -1.25 -3.67 114.28 107.81 2wwl n THR 8 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2wwl n THR 8 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2wwl n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwl n GLY 9 N 5.00 -0.41 3.08 3.38 0.00 -0.39 -3.85 105.19 112.01 2wwl n GLY 9 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2wwl n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwl s ARG 10 N 0.00 1.86 -0.07 1.61 1.81 -1.26 0.02 118.95 122.92 2wwl s ARG 10 Ca 0.00 -1.73 -0.03 0.00 -1.72 0.00 0.00 55.73 52.25 2wwl s ARG 10 Cb 0.00 -3.31 0.04 0.00 -0.45 0.00 0.00 34.95 31.23 2wwl s ARG 10 CO 0.00 -0.91 0.14 0.50 -0.68 0.00 0.00 175.30 174.35 2wwl s ARG 11 N 1.05 0.04 -0.08 3.54 3.00 -0.79 -4.46 118.95 121.25 2wwl s ARG 11 Ca 0.06 0.49 -0.00 0.00 -1.00 0.00 0.00 55.73 55.27 2wwl s ARG 11 Cb -0.21 -0.27 0.00 0.00 0.00 0.00 0.00 34.95 34.48 2wwl s ARG 11 CO -0.05 -0.27 0.06 1.17 0.00 0.00 0.00 175.30 176.21 2wwl n LYS 12 N 5.00 -0.16 0.00 5.12 4.81 -1.26 -0.21 118.16 131.47 2wwl n LYS 12 Ca -0.11 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2wwl n LYS 12 Cb 0.50 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.34 2wwl n LYS 12 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2wwl n SER 13 N 0.28 0.00 -4.29 3.14 7.64 -1.26 -4.52 113.62 114.60 2wwl n SER 13 Ca -0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 2wwl n SER 13 Cb 0.07 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.13 2wwl n SER 13 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wwl s SER 14 N -1.53 4.36 0.02 6.43 0.01 0.71 -2.96 113.70 120.73 2wwl s SER 14 Ca 0.00 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2wwl s SER 14 Cb 0.00 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 2wwl s SER 14 CO 0.00 -0.06 -0.10 0.00 0.41 0.00 0.00 173.24 173.49 2wwl s ALA 15 N 1.45 2.88 -0.05 1.44 0.00 -1.23 -1.89 121.76 124.37 2wwl s ALA 15 Ca 0.04 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2wwl s ALA 15 Cb -0.15 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.00 2wwl s ALA 15 CO -0.03 0.60 0.02 0.00 0.00 0.00 0.00 175.76 176.35 2wwl s ALA 16 N -0.98 0.40 0.40 0.00 0.00 0.10 -3.51 121.76 118.16 2wwl s ALA 16 Ca 0.16 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 2wwl s ALA 16 Cb -0.11 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2wwl s ALA 16 CO 0.07 -0.33 1.24 1.03 0.00 0.00 0.00 175.76 177.77 2wwl s ARG 17 N 1.70 4.02 -0.20 0.00 0.52 -1.09 -3.70 118.95 120.21 2wwl s ARG 17 Ca -0.00 2.00 -0.06 0.00 -0.52 0.00 0.00 55.73 57.15 2wwl s ARG 17 Cb -0.13 -2.73 0.10 0.00 0.52 0.00 0.00 34.95 32.71 2wwl s ARG 17 CO -0.03 -0.39 0.39 0.08 0.02 0.00 0.00 175.30 175.37 2wwl s VAL 18 N -1.32 -0.61 -0.18 3.52 1.01 -1.24 -2.25 120.40 119.33 2wwl s VAL 18 Ca 0.57 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2wwl s VAL 18 Cb -0.35 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.39 2wwl s VAL 18 CO 0.44 0.03 -0.14 -0.36 0.00 0.00 0.00 175.10 175.08 2wwl s PHE 19 N 2.58 2.45 -0.19 5.22 0.40 -1.17 -2.93 117.98 124.34 2wwl s PHE 19 Ca 0.02 -1.51 -0.22 0.00 -0.60 0.00 0.00 56.93 54.62 2wwl s PHE 19 Cb -0.13 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2wwl s PHE 19 CO -0.13 -0.74 0.69 0.42 0.70 0.00 0.00 175.22 176.17 2wwl s ILE 20 N 1.39 4.97 -0.19 0.64 -1.09 -0.17 -4.28 121.20 122.48 2wwl s ILE 20 Ca 0.02 1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 59.60 2wwl s ILE 20 Cb -0.14 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2wwl s ILE 20 CO -0.10 0.08 0.41 -0.54 -1.23 0.00 0.00 174.94 173.56 2wwl s LYS 21 N 2.03 4.20 0.16 2.79 1.02 -1.26 -3.25 119.74 125.43 2wwl s LYS 21 Ca 0.32 0.24 -0.31 0.00 0.02 0.00 0.00 55.97 56.24 2wwl s LYS 21 Cb -0.16 -3.52 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 2wwl s LYS 21 CO 0.11 -0.01 1.34 -2.14 -0.92 0.00 0.00 175.35 173.72 2wwl s PRO 22 N 1.21 4.36 0.00 -1.68 0.02 -1.26 -1.18 135.00 136.47 2wwl s PRO 22 Ca 0.20 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2wwl s PRO 22 Cb -0.15 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.15 2wwl s PRO 22 CO 0.08 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 2wwl n GLY 23 N 2.83 -0.54 3.54 0.52 0.00 -1.24 -4.75 105.19 105.55 2wwl n GLY 23 Ca 0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 2wwl n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwl s ASN 24 N -4.00 -0.37 0.00 1.61 4.22 -1.26 -0.14 114.94 115.00 2wwl s ASN 24 Ca 0.00 -0.08 0.00 0.00 -2.14 0.00 0.00 52.86 50.64 2wwl s ASN 24 Cb 0.00 0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.98 2wwl s ASN 24 CO 0.00 -0.76 0.00 0.61 -2.04 0.00 0.00 177.10 174.91 2wwl n GLY 25 N -0.31 1.25 3.30 0.45 0.00 -1.26 -4.89 105.19 103.73 2wwl n GLY 25 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2wwl n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwl s LYS 26 N -0.48 1.22 0.00 1.61 1.02 -1.26 -5.05 119.74 116.80 2wwl s LYS 26 Ca 0.00 -1.57 0.03 0.00 0.02 0.00 0.00 55.97 54.45 2wwl s LYS 26 Cb 0.00 -0.70 0.05 0.00 -0.52 0.00 0.00 37.83 36.66 2wwl s LYS 26 CO 0.00 0.02 0.83 1.51 -0.92 0.00 0.00 175.35 176.79 2wwl n ILE 27 N -0.32 0.00 -3.26 2.17 3.06 -1.26 -4.22 119.36 115.53 2wwl n ILE 27 Ca -0.08 -0.12 -0.34 0.00 -2.50 0.00 0.00 62.75 59.71 2wwl n ILE 27 Cb 0.62 0.37 -0.06 0.00 0.54 0.00 0.00 39.64 41.11 2wwl n ILE 27 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2wwl s VAL 28 N 0.00 4.76 -0.22 9.51 -7.23 -1.12 -4.41 120.40 121.69 2wwl s VAL 28 Ca 0.04 0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 61.09 2wwl s VAL 28 Cb 0.05 -3.73 0.11 0.00 0.56 0.00 0.00 36.38 33.37 2wwl s VAL 28 CO -0.02 0.11 0.28 -0.51 -0.31 0.00 0.00 175.10 174.65 2wwl s ILE 29 N -1.63 -0.42 -0.55 -0.62 2.07 -0.66 -3.54 121.20 115.85 2wwl s ILE 29 Ca 0.43 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.57 2wwl s ILE 29 Cb -0.14 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.72 2wwl s ILE 29 CO 0.20 -0.18 0.04 0.59 -1.91 0.00 0.00 174.94 173.68 2wwl n ASN 30 N 5.33 -2.64 -0.98 4.50 3.02 -0.82 -2.91 115.26 120.77 2wwl n ASN 30 Ca -0.05 -0.02 -0.13 0.00 -0.03 0.00 0.00 54.58 54.35 2wwl n ASN 30 Cb 0.50 -1.90 -0.05 0.00 -0.61 0.00 0.00 39.78 37.71 2wwl n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wwl n GLN 31 N -1.66 -0.93 -3.01 3.52 3.00 -1.26 -4.96 117.38 112.09 2wwl n GLN 31 Ca -0.07 0.94 -0.10 0.00 -0.01 0.00 0.00 57.00 57.76 2wwl n GLN 31 Cb 0.56 -5.00 -0.03 0.00 0.00 0.00 0.00 30.24 25.77 2wwl n GLN 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wwl n ARG 32 N -2.55 0.65 -2.00 -1.09 1.74 -1.14 -5.11 116.66 107.15 2wwl n ARG 32 Ca -0.13 -1.46 -0.00 0.00 -0.77 0.00 0.00 57.85 55.49 2wwl n ARG 32 Cb 0.43 0.88 -0.00 0.00 -1.02 0.00 0.00 32.46 32.75 2wwl n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2wwl n SER 33 N -1.97 -0.01 0.13 0.55 7.64 -1.24 -1.65 113.62 117.06 2wwl n SER 33 Ca -0.01 -1.04 -0.09 0.00 1.01 0.00 0.00 58.87 58.74 2wwl n SER 33 Cb 0.26 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 2wwl n SER 33 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wwl h LEU 34 N 0.00 -0.69 -0.26 -3.43 3.38 -1.88 -1.25 115.31 111.18 2wwl h LEU 34 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wwl h LEU 34 Cb 0.02 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wwl h LEU 34 CO 0.01 -0.31 0.00 -1.84 0.09 0.00 0.00 178.44 176.38 2wwl n GLU 35 N -3.85 0.38 0.00 1.13 0.00 -1.26 -0.51 120.64 116.53 2wwl n GLU 35 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 2wwl n GLU 35 Cb 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.61 2wwl n GLU 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2wwl n GLN 36 N -0.29 1.46 -0.08 3.44 6.02 -1.02 -4.82 117.38 122.09 2wwl n GLN 36 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2wwl n GLN 36 Cb 0.02 -0.90 -0.07 0.00 1.02 0.00 0.00 30.24 30.31 2wwl n GLN 36 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2wwl n TYR 37 N -1.27 0.00 -2.13 1.08 9.36 -0.50 -4.80 117.16 118.89 2wwl n TYR 37 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 2wwl n TYR 37 Cb 0.05 -0.61 0.00 0.00 -0.63 0.00 0.00 39.34 38.15 2wwl n TYR 37 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2wwl s PHE 38 N -2.32 3.03 -2.00 2.98 0.08 0.33 -4.93 117.98 115.15 2wwl s PHE 38 Ca -0.23 1.51 0.06 0.00 0.12 0.00 0.00 56.93 58.40 2wwl s PHE 38 Cb 0.07 -3.00 0.35 0.00 -0.57 0.00 0.00 43.02 39.87 2wwl s PHE 38 CO 0.34 -1.03 0.74 0.41 -0.10 0.00 0.00 175.22 175.58 2wwl n GLY 39 N -0.94 -0.34 3.04 4.36 0.00 -1.26 -4.70 105.19 105.34 2wwl n GLY 39 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2wwl n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwl n ARG 40 N -0.77 -2.46 -1.52 1.61 1.74 -1.26 -5.06 116.66 108.94 2wwl n ARG 40 Ca 0.04 0.76 -0.23 0.00 -0.77 0.00 0.00 57.85 57.65 2wwl n ARG 40 Cb 0.02 -5.30 0.16 0.00 -1.02 0.00 0.00 32.46 26.32 2wwl n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wwl n GLU 41 N -3.10 -0.97 -0.04 5.56 -0.58 -1.26 -5.01 120.64 115.24 2wwl n GLU 41 Ca -0.09 -1.63 -0.22 0.00 -0.42 0.00 0.00 57.16 54.81 2wwl n GLU 41 Cb 0.61 -1.05 -0.13 0.00 -0.57 0.00 0.00 31.44 30.30 2wwl n GLU 41 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2wwl n THR 42 N -3.40 1.69 -0.25 2.62 -1.04 -1.26 -4.39 114.28 108.25 2wwl n THR 42 Ca 0.13 -0.51 0.06 0.00 -2.04 0.00 0.00 64.05 61.69 2wwl n THR 42 Cb 0.45 -1.77 0.18 0.00 -1.82 0.00 0.00 70.33 67.38 2wwl n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wwl h ALA 43 N -0.10 0.94 -0.84 2.41 0.00 -1.98 -2.98 119.26 116.71 2wwl h ALA 43 Ca -0.44 0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.79 2wwl h ALA 43 Cb 1.85 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 2wwl h ALA 43 CO -0.01 -0.35 0.55 0.07 0.00 0.00 0.00 179.25 179.50 2wwl h ARG 44 N 0.25 0.55 -0.36 0.00 0.11 -1.95 -2.31 114.38 110.67 2wwl h ARG 44 Ca 0.42 -0.03 -0.16 0.00 0.10 0.00 0.00 59.98 60.30 2wwl h ARG 44 Cb 0.72 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 2wwl h ARG 44 CO -0.53 0.36 -0.41 0.52 0.10 0.00 0.00 179.97 180.01 2wwl h MET 45 N 0.57 0.91 -0.58 0.08 2.86 -1.78 -3.31 114.93 113.68 2wwl h MET 45 Ca 0.42 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2wwl h MET 45 Cb 0.79 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 2wwl h MET 45 CO -0.17 1.15 0.38 0.28 1.06 0.00 0.00 176.91 179.62 2wwl h VAL 46 N 0.72 1.15 -0.00 -2.22 2.07 -1.53 -3.22 116.25 113.22 2wwl h VAL 46 Ca 0.05 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2wwl h VAL 46 Cb 1.01 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2wwl h VAL 46 CO 0.10 0.15 0.00 1.33 0.02 0.00 0.00 177.57 179.17 2wwl n VAL 47 N -4.67 0.00 -0.01 2.57 0.24 -0.91 -2.04 118.33 113.51 2wwl n VAL 47 Ca 0.04 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.25 2wwl n VAL 47 Cb 0.02 -0.32 0.08 0.00 -1.47 0.00 0.00 33.84 32.15 2wwl n VAL 47 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2wwl h ARG 48 N 0.05 0.57 -0.54 7.34 2.47 -1.73 -3.40 114.38 119.15 2wwl h ARG 48 Ca 0.00 -0.32 0.06 0.00 -1.26 0.00 0.00 59.98 58.46 2wwl h ARG 48 Cb 0.01 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.30 2wwl h ARG 48 CO 0.00 0.92 0.23 1.96 0.56 0.00 0.00 179.97 183.64 2wwl h GLN 49 N 0.46 0.43 0.00 0.04 4.20 -1.64 -2.76 115.11 115.83 2wwl h GLN 49 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wwl h GLN 49 Cb 0.99 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2wwl h GLN 49 CO 0.09 0.28 0.00 -2.30 -0.67 0.00 0.00 178.83 176.24 2wwl n PRO 50 N -4.94 0.07 0.02 1.46 -0.02 -1.26 -2.33 135.00 127.99 2wwl n PRO 50 Ca 0.06 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2wwl n PRO 50 Cb 0.19 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 2wwl n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wwl n LEU 51 N -1.43 0.33 -0.62 2.45 4.77 -1.04 -3.91 117.00 117.54 2wwl n LEU 51 Ca 0.05 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2wwl n LEU 51 Cb 0.17 -0.02 0.31 0.00 -2.33 0.00 0.00 43.42 41.55 2wwl n LEU 51 CO 0.14 -0.00 0.74 1.21 -1.33 0.00 0.00 177.39 178.15 2wwl n GLU 52 N -2.22 1.80 -0.05 3.23 4.07 -0.99 -2.70 120.64 123.79 2wwl n GLU 52 Ca -0.02 -1.21 -0.13 0.00 -0.06 0.00 0.00 57.16 55.74 2wwl n GLU 52 Cb 0.52 -1.37 -0.11 0.00 -0.06 0.00 0.00 31.44 30.42 2wwl n GLU 52 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2wwl h LEU 53 N 2.31 -0.01 -2.19 4.31 3.38 -1.70 -3.09 115.31 118.31 2wwl h LEU 53 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 2wwl h LEU 53 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wwl h LEU 53 CO 0.00 0.84 0.00 1.33 0.09 0.00 0.00 178.44 180.70 2wwl n VAL 54 N -4.68 0.35 0.00 1.22 0.24 -1.25 -5.03 118.33 109.17 2wwl n VAL 54 Ca -0.09 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2wwl n VAL 54 Cb 0.40 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 2wwl n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wwl n ASP 55 N 1.44 -0.80 -3.73 -1.34 10.43 -1.10 -5.09 116.55 116.36 2wwl n ASP 55 Ca 0.18 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.44 2wwl n ASP 55 Cb 0.60 0.91 -0.04 0.00 1.84 0.00 0.00 41.12 44.44 2wwl n ASP 55 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wwl s MET 56 N -5.68 1.37 -1.16 -1.24 0.23 -1.25 -4.82 119.30 106.75 2wwl s MET 56 Ca 0.00 -0.86 -0.23 0.00 -1.03 0.00 0.00 55.69 53.57 2wwl s MET 56 Cb 0.00 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.82 2wwl s MET 56 CO 0.00 -0.58 0.76 0.28 -2.03 0.00 0.00 175.02 173.45 2wwl n VAL 57 N -0.34 -5.08 0.00 5.16 0.31 -1.24 -4.74 118.33 112.40 2wwl n VAL 57 Ca -0.10 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 2wwl n VAL 57 Cb 0.63 -3.84 0.00 0.00 -0.91 0.00 0.00 33.84 29.72 2wwl n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wwl n GLU 58 N -4.39 0.00 0.00 5.55 0.28 -1.26 -4.67 120.64 116.15 2wwl n GLU 58 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2wwl n GLU 58 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 2wwl n GLU 58 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2wwl n LYS 59 N 0.00 1.05 -3.53 3.44 5.02 -1.18 -4.94 118.16 118.03 2wwl n LYS 59 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2wwl n LYS 59 Cb 0.00 -0.09 -0.05 0.00 -0.02 0.00 0.00 35.03 34.87 2wwl n LYS 59 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2wwl s LEU 60 N 0.00 -0.47 -0.03 -0.35 2.34 0.80 -3.65 118.68 117.31 2wwl s LEU 60 Ca 0.00 0.50 -0.02 0.00 0.06 0.00 0.00 54.13 54.67 2wwl s LEU 60 Cb 0.00 2.42 -0.04 0.00 -0.56 0.00 0.00 46.19 48.01 2wwl s LEU 60 CO 0.00 -0.67 0.08 -1.81 -1.06 0.00 0.00 176.35 172.89 2wwl s ASP 61 N -1.55 5.74 -0.31 1.48 -0.00 -0.32 -3.72 116.67 117.99 2wwl s ASP 61 Ca -0.09 0.20 -0.14 0.00 -0.00 0.00 0.00 52.55 52.53 2wwl s ASP 61 Cb -0.01 -1.68 -0.03 0.00 -0.00 0.00 0.00 42.92 41.21 2wwl s ASP 61 CO 0.05 0.30 0.29 -0.76 -0.00 0.00 0.00 175.17 175.05 2wwl s LEU 62 N -1.54 4.29 -0.09 1.23 1.43 -1.26 -4.21 118.68 118.53 2wwl s LEU 62 Ca 0.21 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2wwl s LEU 62 Cb -0.12 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.90 2wwl s LEU 62 CO 0.11 -0.22 0.15 -0.47 0.23 0.00 0.00 176.35 176.15 2wwl s TYR 63 N 1.89 -0.13 0.01 0.29 5.04 -1.23 -2.80 117.35 120.42 2wwl s TYR 63 Ca 0.10 0.48 0.02 0.00 -2.44 0.00 0.00 57.07 55.23 2wwl s TYR 63 Cb -0.16 -0.33 -0.01 0.00 0.35 0.00 0.00 41.96 41.81 2wwl s TYR 63 CO 0.11 -0.30 -0.07 0.42 -1.34 0.00 0.00 175.55 174.37 2wwl s ILE 64 N 2.27 0.52 -0.40 3.14 1.01 -1.24 -3.05 121.20 123.45 2wwl s ILE 64 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2wwl s ILE 64 Cb -0.13 -0.47 0.16 0.00 0.01 0.00 0.00 42.46 42.03 2wwl s ILE 64 CO -0.06 0.03 0.34 0.42 0.00 0.00 0.00 174.94 175.66 2wwl s THR 65 N -0.42 0.08 0.03 2.92 -4.23 -0.95 -1.95 115.64 111.12 2wwl s THR 65 Ca -0.00 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2wwl s THR 65 Cb -0.04 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 2wwl s THR 65 CO -0.00 -0.99 0.18 0.54 -0.54 0.00 0.00 174.62 173.81 2wwl s VAL 66 N 0.60 5.31 0.08 2.29 0.11 -1.26 -2.66 120.40 124.87 2wwl s VAL 66 Ca 0.26 -0.31 -0.22 0.00 -2.93 0.00 0.00 61.98 58.79 2wwl s VAL 66 Cb -0.07 -3.53 0.05 0.00 -1.53 0.00 0.00 36.38 31.31 2wwl s VAL 66 CO -0.10 0.24 0.52 -1.59 -3.33 0.00 0.00 175.10 170.83 2wwl s LYS 67 N -2.19 1.09 0.18 1.54 -2.85 -1.23 -5.01 119.74 111.27 2wwl s LYS 67 Ca 0.30 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 2wwl s LYS 67 Cb -0.13 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 2wwl s LYS 67 CO 0.22 -0.42 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2wwl n GLY 68 N 0.15 -2.93 7.00 0.59 0.00 -1.26 -3.48 105.19 105.26 2wwl n GLY 68 Ca -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2wwl n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwl n GLY 69 N -2.46 -0.80 0.71 -0.02 0.00 -1.16 -4.17 105.19 97.29 2wwl n GLY 69 Ca -0.02 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 2wwl n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwl n GLY 70 N 0.00 -1.45 0.12 -0.02 0.00 -1.26 -4.89 105.19 97.70 2wwl n GLY 70 Ca 0.00 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 2wwl n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wwl n ILE 71 N -2.46 1.53 0.03 -0.61 -0.00 -1.26 -3.05 119.36 113.54 2wwl n ILE 71 Ca 0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 62.75 62.57 2wwl n ILE 71 Cb 0.11 -1.99 0.25 0.00 -0.00 0.00 0.00 39.64 38.01 2wwl n ILE 71 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2wwl h SER 72 N -1.00 0.42 -0.71 4.38 0.02 -2.00 -2.87 113.55 111.80 2wwl h SER 72 Ca -0.50 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 2wwl h SER 72 Cb 1.42 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 2wwl h SER 72 CO -0.31 0.63 0.39 1.23 -1.14 0.00 0.00 176.83 177.63 2wwl h GLY 73 N 0.96 1.07 0.19 -3.77 0.00 -1.89 -1.80 103.07 97.83 2wwl h GLY 73 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.91 2wwl h GLY 73 CO 0.04 0.47 -0.47 1.46 0.00 0.00 0.00 176.54 178.04 2wwl h GLN 74 N 0.98 -0.70 -0.63 4.80 4.20 -1.43 0.12 115.11 122.45 2wwl h GLN 74 Ca 0.25 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.18 2wwl h GLN 74 Cb 0.05 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2wwl h GLN 74 CO -0.04 -0.47 0.45 0.00 -0.67 0.00 0.00 178.83 178.10 2wwl h ALA 75 N -0.73 2.46 -0.69 3.87 0.00 -1.39 0.15 119.26 122.94 2wwl h ALA 75 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2wwl h ALA 75 Cb 0.70 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2wwl h ALA 75 CO -0.21 -0.64 0.39 0.78 0.00 0.00 0.00 179.25 179.57 2wwl h GLY 76 N 0.09 1.01 2.00 0.00 0.00 -0.94 -2.84 103.07 102.39 2wwl h GLY 76 Ca 0.30 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 2wwl h GLY 76 CO -0.03 0.18 -0.38 0.00 0.00 0.00 0.00 176.54 176.31 2wwl h ALA 77 N 1.34 1.25 -0.39 3.60 0.00 0.20 -2.13 119.26 123.13 2wwl h ALA 77 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2wwl h ALA 77 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wwl h ALA 77 CO -0.17 0.48 0.13 0.82 0.00 0.00 0.00 179.25 180.51 2wwl h ILE 78 N 0.00 1.21 0.00 0.00 2.04 -1.15 -1.84 117.51 117.78 2wwl h ILE 78 Ca -0.00 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 2wwl h ILE 78 Cb 0.73 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2wwl h ILE 78 CO 0.05 0.24 -0.01 0.03 0.00 0.00 0.00 178.15 178.47 2wwl h ARG 79 N 0.49 0.00 -0.63 2.37 3.08 -1.36 -1.86 114.38 116.47 2wwl h ARG 79 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wwl h ARG 79 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wwl h ARG 79 CO -0.00 0.01 0.00 1.58 -1.07 0.00 0.00 179.97 180.48 2wwl n HIS 80 N -4.45 0.99 -0.00 3.04 -0.00 -0.72 -3.68 115.22 110.39 2wwl n HIS 80 Ca -0.03 -0.45 0.00 0.00 0.46 0.00 0.00 57.72 57.70 2wwl n HIS 80 Cb 0.10 -0.07 -0.00 0.00 -0.12 0.00 0.00 29.99 29.89 2wwl n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wwl n GLY 81 N 1.34 -0.02 0.04 1.57 0.00 -0.74 -1.26 105.19 106.12 2wwl n GLY 81 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.25 2wwl n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wwl n ILE 82 N -1.77 0.45 0.13 -0.61 2.08 -0.93 -2.78 119.36 115.93 2wwl n ILE 82 Ca -0.00 -0.52 -0.00 0.00 0.56 0.00 0.00 62.75 62.78 2wwl n ILE 82 Cb 0.26 -0.17 0.27 0.00 -0.75 0.00 0.00 39.64 39.26 2wwl n ILE 82 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2wwl h THR 83 N 0.00 1.31 0.00 1.39 1.35 -1.82 -2.17 112.91 112.97 2wwl h THR 83 Ca -0.18 -1.49 -0.04 0.00 -0.55 0.00 0.00 66.41 64.15 2wwl h THR 83 Cb 1.29 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 2wwl h THR 83 CO 0.01 0.44 -0.64 0.03 -0.25 0.00 0.00 175.52 175.11 2wwl h ARG 84 N 0.11 0.00 -0.41 4.72 2.47 -1.82 -3.13 114.38 116.32 2wwl h ARG 84 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2wwl h ARG 84 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 2wwl h ARG 84 CO 0.06 0.14 0.00 0.00 0.56 0.00 0.00 179.97 180.73 2wwl n ALA 85 N -2.19 3.37 -2.90 0.04 0.00 -1.03 -4.18 120.51 113.62 2wwl n ALA 85 Ca 0.00 -2.12 -0.13 0.00 0.00 0.00 0.00 53.44 51.20 2wwl n ALA 85 Cb 0.62 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 19.20 2wwl n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wwl n LEU 86 N 0.02 0.07 0.00 0.00 4.77 -0.85 -4.61 117.00 116.40 2wwl n LEU 86 Ca 0.24 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 2wwl n LEU 86 Cb 1.02 0.60 0.00 0.00 -2.33 0.00 0.00 43.42 42.71 2wwl n LEU 86 CO 0.23 2.01 0.00 1.15 -1.33 0.00 0.00 177.39 179.45 2wwl n MET 87 N 0.10 0.00 -0.44 3.23 0.00 -1.23 -3.51 117.12 115.27 2wwl n MET 87 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.91 2wwl n MET 87 Cb 0.73 -0.00 0.27 0.00 0.00 0.00 0.00 33.22 34.22 2wwl n MET 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2wwl n GLU 88 N 0.00 2.94 0.00 3.17 0.28 -1.26 -3.90 120.64 121.88 2wwl n GLU 88 Ca 0.00 -2.12 0.00 0.00 -0.16 0.00 0.00 57.16 54.88 2wwl n GLU 88 Cb 0.03 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.21 2wwl n GLU 88 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2wwl n TYR 89 N 0.84 0.00 -3.52 -1.84 0.53 -1.26 -5.11 117.16 106.80 2wwl n TYR 89 Ca 0.19 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.98 2wwl n TYR 89 Cb 0.67 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.94 2wwl n TYR 89 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2wwl s ASP 90 N -1.48 -0.39 0.00 7.72 -1.08 -1.25 -5.04 116.67 115.15 2wwl s ASP 90 Ca 0.00 0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.45 2wwl s ASP 90 Cb 0.00 0.38 0.69 0.00 -1.46 0.00 0.00 42.92 42.53 2wwl s ASP 90 CO 0.00 -0.55 1.54 -0.62 0.52 0.00 0.00 175.17 176.06 2wwl n GLU 91 N 0.09 0.16 0.05 4.34 -0.58 -1.26 -3.65 120.64 119.79 2wwl n GLU 91 Ca -0.10 -0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.49 2wwl n GLU 91 Cb 0.60 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 30.08 2wwl n GLU 91 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2wwl h SER 92 N 0.20 0.43 0.47 1.62 0.87 -1.96 -2.98 113.55 112.21 2wwl h SER 92 Ca 0.00 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 2wwl h SER 92 Cb 0.49 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2wwl h SER 92 CO 0.00 0.89 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.90 2wwl h LEU 93 N 0.30 -0.54 -0.44 2.23 3.38 -1.85 -3.34 115.31 115.05 2wwl h LEU 93 Ca 0.01 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2wwl h LEU 93 Cb 1.05 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 2wwl h LEU 93 CO 0.09 -0.35 -0.33 -0.09 0.09 0.00 0.00 178.44 177.86 2wwl h ARG 94 N -0.69 -0.22 -0.95 1.13 2.43 -1.59 -2.81 114.38 111.68 2wwl h ARG 94 Ca -0.07 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2wwl h ARG 94 Cb 0.51 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 2wwl h ARG 94 CO 0.11 -0.15 0.59 0.77 -1.51 0.00 0.00 179.97 179.78 2wwl h SER 95 N -0.23 0.89 -0.04 -3.80 0.02 -1.65 -2.69 113.55 106.04 2wwl h SER 95 Ca 0.19 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2wwl h SER 95 Cb 0.54 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2wwl h SER 95 CO -0.57 0.50 0.01 -0.62 -1.14 0.00 0.00 176.83 175.01 2wwl n GLU 96 N -4.63 1.19 0.00 3.45 -0.58 -1.06 -0.96 120.64 118.05 2wwl n GLU 96 Ca 0.17 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2wwl n GLU 96 Cb 0.29 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2wwl n GLU 96 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wwl n LEU 97 N 0.14 0.00 0.03 -4.62 4.77 -1.04 -3.88 117.00 112.40 2wwl n LEU 97 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 2wwl n LEU 97 Cb 0.38 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 2wwl n LEU 97 CO 0.02 0.00 -0.59 -0.09 -1.33 0.00 0.00 177.39 175.40 2wwl h ARG 98 N 0.00 0.23 0.00 3.23 2.43 -1.32 -1.15 114.38 117.80 2wwl h ARG 98 Ca 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2wwl h ARG 98 Cb 0.32 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wwl h ARG 98 CO 0.00 1.07 0.00 1.63 -1.51 0.00 0.00 179.97 181.16 2wwl n LYS 99 N -3.41 0.07 0.14 0.20 5.02 -0.14 -1.72 118.16 118.33 2wwl n LYS 99 Ca -0.24 0.19 0.02 0.00 -2.02 0.00 0.00 58.31 56.26 2wwl n LYS 99 Cb 1.05 -1.61 0.08 0.00 -0.02 0.00 0.00 35.03 34.54 2wwl n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwl h ALA 100 N 2.63 0.71 -0.15 7.82 0.00 -1.64 -3.48 119.26 125.15 2wwl h ALA 100 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2wwl h ALA 100 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2wwl h ALA 100 CO 0.00 0.67 -0.06 0.41 0.00 0.00 0.00 179.25 180.28 2wwl n GLY 101 N 0.99 0.58 1.08 0.00 0.00 -0.64 -4.94 105.19 102.26 2wwl n GLY 101 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2wwl n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wwl n PHE 102 N -2.70 0.98 0.22 1.61 3.01 -0.53 -3.92 117.46 116.13 2wwl n PHE 102 Ca -0.03 -1.52 0.07 0.00 1.01 0.00 0.00 57.45 56.98 2wwl n PHE 102 Cb 0.21 -0.45 -0.10 0.00 -0.01 0.00 0.00 39.48 39.12 2wwl n PHE 102 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 2wwl n VAL 103 N -1.08 0.00 -2.21 -4.37 3.14 -1.12 -4.44 118.33 108.26 2wwl n VAL 103 Ca 0.31 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 61.00 2wwl n VAL 103 Cb 0.99 0.45 -0.03 0.00 -1.06 0.00 0.00 33.84 34.19 2wwl n VAL 103 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2wwl s THR 104 N -2.77 3.30 0.47 1.55 2.01 -1.25 -5.00 115.64 113.95 2wwl s THR 104 Ca -0.02 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.79 2wwl s THR 104 Cb 0.10 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 2wwl s THR 104 CO 0.59 0.12 1.01 -0.60 -0.69 0.00 0.00 174.62 175.05 2wwl s ARG 105 N 0.40 3.93 0.06 4.92 3.00 -1.26 -4.93 118.95 125.07 2wwl s ARG 105 Ca 0.60 1.25 -0.30 0.00 -1.00 0.00 0.00 55.73 56.27 2wwl s ARG 105 Cb -0.36 -2.12 -0.09 0.00 0.00 0.00 0.00 34.95 32.38 2wwl s ARG 105 CO 0.35 -0.31 1.87 0.34 0.00 0.00 0.00 175.30 177.55 2wwl s ASP 106 N -2.14 6.47 0.00 -2.12 2.15 -1.26 -4.85 116.67 114.91 2wwl s ASP 106 Ca 0.65 2.66 0.27 0.00 0.43 0.00 0.00 52.55 56.55 2wwl s ASP 106 Cb -0.13 -2.55 1.03 0.00 -0.30 0.00 0.00 42.92 40.97 2wwl s ASP 106 CO 0.19 -1.01 1.73 0.00 -0.17 0.00 0.00 175.17 175.90 2wwl n ALA 107 N 6.69 2.57 -2.68 3.66 0.00 -1.26 -4.74 120.51 124.76 2wwl n ALA 107 Ca 0.19 -0.45 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 2wwl n ALA 107 Cb 0.40 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 2wwl n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wwl s ARG 108 N -1.96 2.98 -0.14 0.00 0.52 -1.26 -5.10 118.95 113.99 2wwl s ARG 108 Ca 0.37 -0.45 -0.16 0.00 -0.52 0.00 0.00 55.73 54.98 2wwl s ARG 108 Cb 0.20 -2.76 0.04 0.00 0.52 0.00 0.00 34.95 32.96 2wwl s ARG 108 CO 0.32 0.66 0.43 -1.14 0.02 0.00 0.00 175.30 175.59 2wwl s GLN 109 N -0.77 0.55 0.04 3.54 2.00 -1.26 -4.75 119.66 118.99 2wwl s GLN 109 Ca 0.12 0.49 -0.38 0.00 -2.00 0.00 0.00 55.36 53.58 2wwl s GLN 109 Cb -0.11 0.26 -0.18 0.00 0.80 0.00 0.00 33.01 33.78 2wwl s GLN 109 CO 0.02 -0.09 1.25 0.28 -0.50 0.00 0.00 175.29 176.25 2wwl n VAL 110 N 2.57 0.01 -4.09 1.34 0.31 -1.26 -4.94 118.33 112.28 2wwl n VAL 110 Ca -0.14 -0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 2wwl n VAL 110 Cb 0.57 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 2wwl n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wwl s GLU 111 N 0.40 2.97 0.41 5.55 2.02 -1.26 -5.07 118.70 123.72 2wwl s GLU 111 Ca 0.88 -0.59 -0.26 0.00 0.02 0.00 0.00 54.97 55.01 2wwl s GLU 111 Cb -1.09 -2.79 -0.09 0.00 0.10 0.00 0.00 34.13 30.27 2wwl s GLU 111 CO 0.52 0.61 1.37 -0.98 0.02 0.00 0.00 175.26 176.80 2wwl s ARG 112 N -2.05 3.91 0.57 1.61 1.70 -1.26 -4.89 118.95 118.54 2wwl s ARG 112 Ca 0.26 2.32 -0.20 0.00 -0.47 0.00 0.00 55.73 57.64 2wwl s ARG 112 Cb -0.12 -2.77 -0.04 0.00 -0.57 0.00 0.00 34.95 31.45 2wwl s ARG 112 CO 0.18 -0.60 1.24 0.15 -1.08 0.00 0.00 175.30 175.19 2wwl s LYS 113 N -2.27 3.06 0.15 3.89 1.02 -1.26 -4.84 119.74 119.49 2wwl s LYS 113 Ca 0.57 1.93 0.06 0.00 0.02 0.00 0.00 55.97 58.55 2wwl s LYS 113 Cb -0.41 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2wwl s LYS 113 CO 0.54 -1.16 -0.13 0.15 -0.92 0.00 0.00 175.35 173.82 2wwl s LYS 114 N -3.17 1.14 0.29 1.68 1.02 -1.26 -5.09 119.74 114.34 2wwl s LYS 114 Ca 0.75 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 2wwl s LYS 114 Cb -0.33 -0.92 -0.13 0.00 -0.52 0.00 0.00 37.83 35.93 2wwl s LYS 114 CO 0.37 0.16 1.40 1.33 -0.92 0.00 0.00 175.35 177.69 2wwl n VAL 115 N 0.07 1.37 -0.04 3.17 0.24 -1.26 -1.61 118.33 120.26 2wwl n VAL 115 Ca -0.12 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2wwl n VAL 115 Cb 0.59 -1.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 2wwl n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wwl n GLY 116 N 1.61 2.02 3.73 7.63 0.00 -1.26 -4.99 105.19 113.93 2wwl n GLY 116 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2wwl n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwl s LEU 117 N 0.00 3.89 0.01 0.99 1.43 -0.64 -4.39 118.68 119.98 2wwl s LEU 117 Ca 0.00 0.22 0.16 0.00 -1.03 0.00 0.00 54.13 53.49 2wwl s LEU 117 Cb 0.00 -1.93 -0.17 0.00 0.03 0.00 0.00 46.19 44.11 2wwl s LEU 117 CO 0.00 0.33 0.71 -1.14 0.23 0.00 0.00 176.35 176.48 2wwl n ARG 118 N 2.49 0.63 0.00 1.70 3.00 -0.62 -4.71 116.66 119.15 2wwl n ARG 118 Ca -0.18 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2wwl n ARG 118 Cb 0.54 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 31.23 2wwl n ARG 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wwl n LYS 119 N -2.87 1.28 0.02 -0.14 5.02 -1.24 -5.00 118.16 115.23 2wwl n LYS 119 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.28 2wwl n LYS 119 Cb 0.89 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 36.39 2wwl n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwl n ALA 120 N -3.00 2.07 -2.62 7.82 0.00 -1.26 -3.97 120.51 119.55 2wwl n ALA 120 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2wwl n ALA 120 Cb 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.12 2wwl n ALA 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wwl n ARG 121 N -1.63 0.70 -4.03 0.00 0.63 -1.26 -4.59 116.66 106.48 2wwl n ARG 121 Ca 0.05 -0.85 -0.31 0.00 -0.92 0.00 0.00 57.85 55.83 2wwl n ARG 121 Cb 0.29 0.14 -0.16 0.00 0.45 0.00 0.00 32.46 33.19 2wwl n ARG 121 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2wwl s ARG 122 N 0.08 2.14 -0.26 -0.14 3.00 -1.25 -5.06 118.95 117.46 2wwl s ARG 122 Ca 0.07 -1.05 -0.12 0.00 -1.00 0.00 0.00 55.73 53.64 2wwl s ARG 122 Cb 0.23 -2.63 -0.05 0.00 0.00 0.00 0.00 34.95 32.50 2wwl s ARG 122 CO -0.06 -0.48 0.22 0.50 0.00 0.00 0.00 175.30 175.48 2wwl s ARG 123 N 1.28 4.02 0.14 5.12 6.06 -1.26 -1.59 118.95 132.72 2wwl s ARG 123 Ca -0.04 -0.21 -0.34 0.00 -2.50 0.00 0.00 55.73 52.64 2wwl s ARG 123 Cb -0.18 -3.61 -0.17 0.00 0.06 0.00 0.00 34.95 31.06 2wwl s ARG 123 CO -0.07 -0.10 1.10 -2.30 -2.50 0.00 0.00 175.30 171.42 2wwl n PRO 124 N 4.80 0.85 -1.74 5.12 -0.02 -1.26 -4.95 135.00 137.81 2wwl n PRO 124 Ca -0.13 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 2wwl n PRO 124 Cb 0.52 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.26 2wwl n PRO 124 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wwl n GLN 125 N 1.71 1.88 -4.37 -0.52 6.02 -1.26 -5.03 117.38 115.81 2wwl n GLN 125 Ca 0.16 0.68 -0.21 0.00 -0.01 0.00 0.00 57.00 57.63 2wwl n GLN 125 Cb 0.21 -2.54 -0.09 0.00 1.02 0.00 0.00 30.24 28.85 2wwl n GLN 125 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2wwl s PHE 126 N -1.25 1.69 -0.30 1.08 -0.12 -1.26 -5.10 117.98 112.71 2wwl s PHE 126 Ca 0.67 -1.43 -0.09 0.00 -0.05 0.00 0.00 56.93 56.03 2wwl s PHE 126 Cb -0.44 -0.90 0.16 0.00 -0.63 0.00 0.00 43.02 41.21 2wwl s PHE 126 CO 0.53 -0.56 0.77 0.45 -0.05 0.00 0.00 175.22 176.37 2wwl s SER 127 N -3.44 -0.99 0.00 1.98 0.15 -1.26 -5.03 113.70 105.10 2wwl s SER 127 Ca 0.34 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2wwl s SER 127 Cb 0.04 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2wwl s SER 127 CO 0.19 -0.19 0.00 0.29 1.20 0.00 0.00 173.24 174.74 2wwl n LYS 128 N 5.34 0.00 0.00 5.44 5.02 -1.26 -5.35 118.16 127.35 2wwl n LYS 128 Ca -0.07 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.37 2wwl n LYS 128 Cb 0.51 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 36.20 2wwl n LYS 128 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42