#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4l n TYR 12 N 0.00 2.42 -4.11 -0.67 4.19 -1.26 -5.01 117.16 112.73 2w4l n TYR 12 Ca 0.00 0.35 -0.35 0.00 3.31 0.00 0.00 57.90 61.21 2w4l n TYR 12 Cb 0.00 -2.52 -0.12 0.00 0.49 0.00 0.00 39.34 37.20 2w4l n TYR 12 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2w4l s LEU 13 N 0.01 3.46 0.75 2.98 1.43 -1.26 -5.11 118.68 120.95 2w4l s LEU 13 Ca 0.68 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.58 2w4l s LEU 13 Cb -0.59 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 43.79 2w4l s LEU 13 CO 0.48 0.12 1.08 -1.61 0.23 0.00 0.00 176.35 176.64 2w4l s GLU 14 N 0.70 2.49 0.18 1.70 0.41 -1.26 -4.82 118.70 118.11 2w4l s GLU 14 Ca 0.01 0.90 -0.16 0.00 -0.41 0.00 0.00 54.97 55.31 2w4l s GLU 14 Cb -0.14 -1.94 0.15 0.00 -1.78 0.00 0.00 34.13 30.42 2w4l s GLU 14 CO 0.02 -1.40 1.64 -1.49 -0.49 0.00 0.00 175.26 173.54 2w4l h TRP 15 N -0.94 -0.33 -0.49 1.61 -0.00 -1.99 -1.10 115.95 112.70 2w4l h TRP 15 Ca -0.45 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.49 2w4l h TRP 15 Cb 1.23 0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 30.59 2w4l h TRP 15 CO 0.56 -0.24 0.31 -1.35 -0.00 0.00 0.00 178.44 177.72 2w4l h PRO 16 N -0.03 0.66 -0.64 0.49 0.11 -1.99 -0.24 132.00 130.36 2w4l h PRO 16 Ca 0.24 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 2w4l h PRO 16 Cb 0.39 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 2w4l h PRO 16 CO -0.52 0.46 0.24 0.93 -0.21 0.00 0.00 178.00 178.90 2w4l h GLU 17 N 0.66 0.97 -0.14 1.05 3.07 -1.88 -1.16 114.58 117.16 2w4l h GLU 17 Ca 0.18 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 2w4l h GLU 17 Cb -0.04 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 2w4l h GLU 17 CO -0.04 0.82 0.03 -0.92 -1.40 0.00 0.00 179.01 177.51 2w4l h TYR 18 N 0.91 0.06 -0.49 4.33 3.20 -0.86 -0.19 116.97 123.93 2w4l h TYR 18 Ca 0.21 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 2w4l h TYR 18 Cb 0.23 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2w4l h TYR 18 CO 0.01 0.03 0.04 0.74 -1.64 0.00 0.00 178.16 177.34 2w4l h PHE 19 N 0.09 0.90 -0.65 -3.82 0.04 -0.89 -0.77 116.94 111.84 2w4l h PHE 19 Ca 0.06 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 2w4l h PHE 19 Cb 0.05 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2w4l h PHE 19 CO -0.12 0.84 0.19 1.98 -0.60 0.00 0.00 178.31 180.60 2w4l h MET 20 N 0.70 1.00 -0.40 1.51 4.05 -1.19 -2.52 114.93 118.07 2w4l h MET 20 Ca 0.14 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 2w4l h MET 20 Cb 0.46 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2w4l h MET 20 CO 0.02 0.87 0.15 0.00 0.23 0.00 0.00 176.91 178.17 2w4l h ALA 21 N 1.24 1.51 -0.32 0.39 0.00 -0.60 -1.34 119.26 120.14 2w4l h ALA 21 Ca 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2w4l h ALA 21 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2w4l h ALA 21 CO -0.01 0.38 0.04 0.28 0.00 0.00 0.00 179.25 179.95 2w4l h VAL 22 N 0.57 1.24 -0.55 0.00 2.07 -0.74 0.97 116.25 119.80 2w4l h VAL 22 Ca 0.14 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2w4l h VAL 22 Cb 0.14 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2w4l h VAL 22 CO -0.01 0.28 0.21 0.00 0.02 0.00 0.00 177.57 178.06 2w4l h ALA 23 N 0.88 0.70 -0.24 1.67 0.00 -1.18 0.83 119.26 121.92 2w4l h ALA 23 Ca 0.10 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2w4l h ALA 23 Cb 0.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2w4l h ALA 23 CO 0.01 -0.19 -0.55 0.74 0.00 0.00 0.00 179.25 179.26 2w4l h PHE 24 N 0.40 0.91 -0.08 0.00 0.04 -1.08 -1.28 116.94 115.84 2w4l h PHE 24 Ca 0.27 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2w4l h PHE 24 Cb 0.30 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 2w4l h PHE 24 CO -0.16 1.11 0.04 1.25 -0.60 0.00 0.00 178.31 179.95 2w4l h LEU 25 N 0.55 0.06 -0.88 1.54 5.85 -0.57 -2.84 115.31 119.03 2w4l h LEU 25 Ca 0.01 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2w4l h LEU 25 Cb 1.13 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2w4l h LEU 25 CO 0.11 0.05 0.55 0.28 -0.34 0.00 0.00 178.44 179.09 2w4l h SER 26 N 0.09 0.85 -1.05 1.25 0.02 -0.74 -1.57 113.55 112.40 2w4l h SER 26 Ca 0.03 0.02 0.28 0.00 -0.84 0.00 0.00 61.79 61.28 2w4l h SER 26 Cb 0.00 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.31 2w4l h SER 26 CO -0.02 0.54 0.70 0.00 -1.14 0.00 0.00 176.83 176.90 2w4l h ALA 27 N 1.42 2.45 0.00 3.77 0.00 -0.98 -0.87 119.26 125.05 2w4l h ALA 27 Ca 0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2w4l h ALA 27 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2w4l h ALA 27 CO -0.18 -0.82 0.00 1.04 0.00 0.00 0.00 179.25 179.28 2w4l n GLN 28 N -4.51 0.10 0.06 0.00 6.02 -0.59 -1.79 117.38 116.68 2w4l n GLN 28 Ca 0.24 0.34 0.13 0.00 -0.01 0.00 0.00 57.00 57.70 2w4l n GLN 28 Cb 0.94 -1.69 0.48 0.00 1.02 0.00 0.00 30.24 30.99 2w4l n GLN 28 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2w4l n ARG 29 N -1.88 0.14 -2.25 -1.09 1.74 -0.33 -4.89 116.66 108.10 2w4l n ARG 29 Ca 0.03 0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.87 2w4l n ARG 29 Cb 0.20 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 2w4l n ARG 29 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2w4l s SER 30 N -3.83 6.94 0.00 0.55 0.15 -0.74 -4.94 113.70 111.83 2w4l s SER 30 Ca 0.11 2.42 0.25 0.00 0.70 0.00 0.00 55.95 59.43 2w4l s SER 30 Cb 0.14 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.34 2w4l s SER 30 CO 0.52 -0.46 1.42 0.29 1.20 0.00 0.00 173.24 176.20 2w4l n LYS 31 N 2.05 0.91 -1.95 5.44 5.02 -1.26 -4.92 118.16 123.45 2w4l n LYS 31 Ca 0.04 -0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 55.29 2w4l n LYS 31 Cb 0.43 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2w4l n LYS 31 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2w4l s ASP 32 N -2.52 6.63 0.42 4.39 -1.08 -1.26 -4.90 116.67 118.34 2w4l s ASP 32 Ca 0.22 2.36 0.23 0.00 -0.52 0.00 0.00 52.55 54.84 2w4l s ASP 32 Cb 0.19 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.58 2w4l s ASP 32 CO 0.55 -0.92 1.64 1.55 0.52 0.00 0.00 175.17 178.51 2w4l h PRO 33 N 9.23 0.00 0.04 4.34 0.13 -2.01 -3.33 132.00 140.40 2w4l h PRO 33 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.41 2w4l h PRO 33 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2w4l h PRO 33 CO 0.94 0.14 -1.73 -0.91 -0.23 0.00 0.00 178.00 176.21 2w4l h ASN 34 N 0.00 0.12 -3.35 1.44 2.35 -2.01 -3.47 115.58 110.66 2w4l h ASN 34 Ca -0.00 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.38 2w4l h ASN 34 Cb 1.00 -0.04 -0.26 0.00 0.05 0.00 0.00 38.32 39.07 2w4l h ASN 34 CO 0.02 1.22 -0.31 -0.55 -1.65 0.00 0.00 177.43 176.16 2w4l s SER 35 N -6.38 -0.48 -0.24 5.81 0.15 -1.25 -5.13 113.70 106.18 2w4l s SER 35 Ca -0.09 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.43 2w4l s SER 35 Cb 0.08 0.75 0.06 0.00 -1.71 0.00 0.00 66.02 65.19 2w4l s SER 35 CO 0.81 -0.18 -0.09 -1.10 1.20 0.00 0.00 173.24 173.89 2w4l s GLN 36 N 1.18 1.99 0.01 5.44 1.11 -1.26 -4.55 119.66 123.57 2w4l s GLN 36 Ca -0.08 -1.16 0.05 0.00 0.01 0.00 0.00 55.36 54.19 2w4l s GLN 36 Cb -0.08 -2.73 -0.02 0.00 -1.01 0.00 0.00 33.01 29.18 2w4l s GLN 36 CO -0.10 -0.56 -0.17 0.08 0.01 0.00 0.00 175.29 174.55 2w4l s VAL 37 N 1.25 1.33 0.17 1.09 1.01 -1.26 -4.94 120.40 119.05 2w4l s VAL 37 Ca -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2w4l s VAL 37 Cb -0.19 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2w4l s VAL 37 CO -0.06 0.26 -0.11 -0.83 0.00 0.00 0.00 175.10 174.35 2w4l s GLY 38 N -0.71 1.23 -0.03 4.51 0.00 -1.25 -2.21 107.32 108.87 2w4l s GLY 38 Ca 0.06 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 2w4l s GLY 38 CO 0.00 -1.66 0.21 0.00 0.00 0.00 0.00 173.10 171.65 2w4l s ALA 39 N -3.19 -0.53 -0.06 3.20 0.00 -0.34 -1.89 121.76 118.95 2w4l s ALA 39 Ca 0.20 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 2w4l s ALA 39 Cb 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2w4l s ALA 39 CO 0.03 -0.19 0.11 0.00 0.00 0.00 0.00 175.76 175.72 2w4l s ILE 41 N 2.06 4.72 -0.04 0.00 1.01 0.12 -0.15 121.20 128.91 2w4l s ILE 41 Ca 0.02 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2w4l s ILE 41 Cb -0.12 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 2w4l s ILE 41 CO -0.04 0.49 -0.15 -0.69 0.00 0.00 0.00 174.94 174.54 2w4l s VAL 42 N 0.10 1.31 0.84 2.92 1.01 0.82 -0.19 120.40 127.21 2w4l s VAL 42 Ca 0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2w4l s VAL 42 Cb -0.12 -1.14 0.16 0.00 0.00 0.00 0.00 36.38 35.28 2w4l s VAL 42 CO 0.01 0.38 1.15 0.54 0.00 0.00 0.00 175.10 177.19 2w4l s ASN 43 N 0.14 3.78 0.59 3.32 2.20 -0.22 -0.42 114.94 124.32 2w4l s ASN 43 Ca -0.05 -0.03 0.29 0.00 -0.94 0.00 0.00 52.86 52.13 2w4l s ASN 43 Cb -0.12 -0.20 1.74 0.00 -2.00 0.00 0.00 41.25 40.67 2w4l s ASN 43 CO 0.02 -2.27 2.20 0.77 -2.94 0.00 0.00 177.10 174.88 2w4l h SER 44 N -1.07 0.00 -0.56 3.54 4.64 -1.90 -1.60 113.55 116.61 2w4l h SER 44 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.81 2w4l h SER 44 Cb 1.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2w4l h SER 44 CO 0.40 0.00 0.13 -0.62 -0.87 0.00 0.00 176.83 175.88 2w4l n GLU 45 N -3.87 3.66 -3.00 4.77 4.71 -1.26 -4.93 120.64 120.72 2w4l n GLU 45 Ca -0.01 -2.55 -0.21 0.00 -0.01 0.00 0.00 57.16 54.37 2w4l n GLU 45 Cb 0.16 -2.09 0.01 0.00 -1.01 0.00 0.00 31.44 28.52 2w4l n GLU 45 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2w4l n ASN 46 N 0.17 -5.05 -4.76 1.62 3.02 -0.60 -4.99 115.26 104.67 2w4l n ASN 46 Ca 0.29 -0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 2w4l n ASN 46 Cb 1.14 -4.14 -0.06 0.00 -0.61 0.00 0.00 39.78 36.11 2w4l n ASN 46 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2w4l s LYS 47 N -5.65 4.22 -0.12 3.52 1.02 -1.26 -4.91 119.74 116.56 2w4l s LYS 47 Ca 0.27 0.51 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 2w4l s LYS 47 Cb -0.13 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 2w4l s LYS 47 CO 0.33 0.36 1.41 0.42 -0.92 0.00 0.00 175.35 176.95 2w4l s ILE 48 N -0.08 4.00 -0.65 2.17 1.01 -1.26 -1.06 121.20 125.34 2w4l s ILE 48 Ca 0.26 1.22 0.13 0.00 0.00 0.00 0.00 60.65 62.26 2w4l s ILE 48 Cb -0.16 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 2w4l s ILE 48 CO 0.13 -0.10 0.55 1.33 0.00 0.00 0.00 174.94 176.85 2w4l n VAL 49 N 5.37 0.00 -3.64 2.92 0.24 0.73 -4.96 118.33 118.99 2w4l n VAL 49 Ca 0.15 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 62.14 2w4l n VAL 49 Cb 0.44 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 2w4l n VAL 49 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2w4l s GLY 50 N -2.14 -0.21 -0.01 7.63 0.00 -1.13 -3.95 107.32 107.51 2w4l s GLY 50 Ca 0.05 2.60 0.04 0.00 0.00 0.00 0.00 44.72 47.42 2w4l s GLY 50 CO 0.50 1.89 -0.13 -0.42 0.00 0.00 0.00 173.10 174.94 2w4l s ILE 51 N 0.36 0.99 0.07 0.90 1.01 -1.26 0.14 121.20 123.41 2w4l s ILE 51 Ca 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2w4l s ILE 51 Cb -0.05 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2w4l s ILE 51 CO -0.06 0.25 0.20 -0.83 0.00 0.00 0.00 174.94 174.51 2w4l s GLY 52 N -0.36 0.05 0.10 6.18 0.00 -0.56 -3.96 107.32 108.77 2w4l s GLY 52 Ca 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 2w4l s GLY 52 CO -0.00 -0.63 0.09 -2.52 0.00 0.00 0.00 173.10 170.04 2w4l s TYR 53 N -3.29 0.55 0.31 1.90 -0.85 -1.26 -1.20 117.35 113.51 2w4l s TYR 53 Ca 0.01 -0.98 -0.27 0.00 -0.52 0.00 0.00 57.07 55.30 2w4l s TYR 53 Cb 0.02 -0.30 -0.10 0.00 0.38 0.00 0.00 41.96 41.96 2w4l s TYR 53 CO -0.08 -0.52 0.98 0.54 -1.52 0.00 0.00 175.55 174.95 2w4l s ASN 54 N -2.96 7.31 0.00 -0.18 4.22 -0.94 -3.99 114.94 118.40 2w4l s ASN 54 Ca 0.14 1.94 0.00 0.00 -2.14 0.00 0.00 52.86 52.80 2w4l s ASN 54 Cb 0.06 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 40.00 2w4l s ASN 54 CO -0.04 -0.09 0.00 0.61 -2.04 0.00 0.00 177.10 175.53 2w4l n GLY 55 N 0.79 -0.71 3.90 0.45 0.00 0.07 -4.52 105.19 105.18 2w4l n GLY 55 Ca 0.01 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 2w4l n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2w4l s MET 56 N -0.15 3.58 0.74 1.61 -1.94 -1.26 0.13 119.30 122.01 2w4l s MET 56 Ca 0.00 0.24 -0.15 0.00 -1.71 0.00 0.00 55.69 54.07 2w4l s MET 56 Cb 0.00 -2.38 0.05 0.00 2.01 0.00 0.00 34.83 34.51 2w4l s MET 56 CO 0.00 -0.17 1.23 -2.14 -0.01 0.00 0.00 175.02 173.93 2w4l s PRO 57 N -4.58 2.01 0.25 2.03 0.02 -1.26 -4.79 135.00 128.68 2w4l s PRO 57 Ca 0.48 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 63.05 2w4l s PRO 57 Cb -0.10 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 2w4l s PRO 57 CO 0.43 -1.95 1.36 0.09 -0.33 0.00 0.00 177.00 176.59 2w4l n ASN 58 N -2.75 2.59 0.00 2.53 3.02 -1.26 -2.30 115.26 117.09 2w4l n ASN 58 Ca 0.14 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 2w4l n ASN 58 Cb 0.50 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2w4l n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w4l n GLY 59 N 1.96 0.39 3.69 7.41 0.00 -1.26 -5.28 105.19 112.10 2w4l n GLY 59 Ca 0.11 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 2w4l n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w4l n VAL 64 N -1.18 0.00 -2.33 0.00 0.31 -1.26 -4.80 118.33 109.06 2w4l n VAL 64 Ca -0.16 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.78 2w4l n VAL 64 Cb 0.66 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 2w4l n VAL 64 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2w4l s LEU 65 N 1.93 4.31 0.74 7.52 1.02 -1.26 -5.02 118.68 127.92 2w4l s LEU 65 Ca 0.33 2.36 -0.11 0.00 0.02 0.00 0.00 54.13 56.73 2w4l s LEU 65 Cb -0.35 -3.88 0.03 0.00 0.02 0.00 0.00 46.19 42.01 2w4l s LEU 65 CO 0.15 -0.51 1.07 -2.16 0.02 0.00 0.00 176.35 174.92 2w4l s PRO 66 N -2.02 2.58 -1.65 1.29 0.04 -1.26 -4.13 135.00 129.85 2w4l s PRO 66 Ca 0.53 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2w4l s PRO 66 Cb -0.32 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2w4l s PRO 66 CO 0.40 -1.35 0.00 0.91 0.04 0.00 0.00 177.00 177.01 2w4l n TRP 67 N -3.29 -0.36 -0.15 0.56 8.01 -1.26 -4.89 117.44 116.06 2w4l n TRP 67 Ca 0.08 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.15 2w4l n TRP 67 Cb 0.54 -3.14 -0.00 0.00 -2.01 0.00 0.00 31.31 26.69 2w4l n TRP 67 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 2w4l h ARG 68 N 0.00 0.99 -0.49 -0.99 2.43 -1.99 -0.74 114.38 113.58 2w4l h ARG 68 Ca -0.37 -0.44 -0.09 0.00 -0.81 0.00 0.00 59.98 58.27 2w4l h ARG 68 Cb 1.19 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2w4l h ARG 68 CO 0.49 1.12 -0.04 0.00 -1.51 0.00 0.00 179.97 180.03 2w4l h ARG 69 N 0.85 0.85 -0.23 0.20 3.08 -1.93 0.45 114.38 117.65 2w4l h ARG 69 Ca 0.10 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2w4l h ARG 69 Cb 0.83 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2w4l h ARG 69 CO 0.07 0.87 0.07 1.15 -1.07 0.00 0.00 179.97 181.06 2w4l h THR 70 N 0.78 1.20 -0.61 2.04 2.02 -1.92 -2.16 112.91 114.26 2w4l h THR 70 Ca 0.14 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 2w4l h THR 70 Cb 0.52 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2w4l h THR 70 CO 0.03 0.20 0.07 0.00 0.37 0.00 0.00 175.52 176.19 2w4l h ALA 71 N 0.89 0.81 -0.26 6.16 0.00 -0.85 -1.93 119.26 124.07 2w4l h ALA 71 Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2w4l h ALA 71 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2w4l h ALA 71 CO -0.00 0.59 0.14 0.93 0.00 0.00 0.00 179.25 180.91 2w4l h GLU 72 N 0.93 0.29 -0.45 0.00 5.08 -0.08 -3.15 114.58 117.19 2w4l h GLU 72 Ca 0.18 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2w4l h GLU 72 Cb 0.47 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2w4l h GLU 72 CO 0.02 0.19 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.24 2w4l h ASN 73 N 0.30 0.83 0.00 1.42 -0.26 -1.31 -3.17 115.58 113.39 2w4l h ASN 73 Ca 0.10 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 2w4l h ASN 73 Cb 0.01 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.04 2w4l h ASN 73 CO -0.06 0.98 0.00 0.29 -1.06 0.00 0.00 177.43 177.58 2w4l n LYS 74 N -4.31 0.65 -0.75 0.81 5.02 -0.73 -5.12 118.16 113.72 2w4l n LYS 74 Ca -0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2w4l n LYS 74 Cb 0.35 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 2w4l n LYS 74 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2w4l n THR 77 N -0.85 -0.50 1.28 -0.18 5.66 -1.20 -4.91 114.28 113.59 2w4l n THR 77 Ca 0.11 0.50 0.13 0.00 -3.05 0.00 0.00 64.05 61.74 2w4l n THR 77 Cb 0.05 -0.75 0.35 0.00 -1.55 0.00 0.00 70.33 68.42 2w4l n THR 77 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2w4l n LYS 78 N -3.22 1.43 -3.17 1.09 5.02 -1.26 -4.42 118.16 113.63 2w4l n LYS 78 Ca -0.05 -0.96 -0.23 0.00 -2.02 0.00 0.00 58.31 55.06 2w4l n LYS 78 Cb 0.36 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 2w4l n LYS 78 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2w4l n TYR 79 N 0.05 1.30 0.24 2.13 4.01 -1.26 -4.96 117.16 118.67 2w4l n TYR 79 Ca 0.15 -3.83 0.14 0.00 -0.16 0.00 0.00 57.90 54.19 2w4l n TYR 79 Cb 0.40 -0.43 0.48 0.00 -0.31 0.00 0.00 39.34 39.48 2w4l n TYR 79 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2w4l h PRO 80 N 3.43 0.00 0.00 -0.72 0.13 -1.89 -3.29 132.00 129.66 2w4l h PRO 80 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2w4l h PRO 80 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2w4l h PRO 80 CO 0.60 0.08 -1.74 0.66 -0.23 0.00 0.00 178.00 177.37 2w4l n TYR 81 N -3.18 0.00 -1.88 1.56 0.53 -1.26 -5.03 117.16 107.90 2w4l n TYR 81 Ca 0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.49 2w4l n TYR 81 Cb 0.41 -0.38 -0.00 0.00 -1.03 0.00 0.00 39.34 38.34 2w4l n TYR 81 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2w4l s VAL 82 N -3.27 2.23 -0.17 -0.72 0.11 -1.24 -4.18 120.40 113.16 2w4l s VAL 82 Ca -0.05 0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 2w4l s VAL 82 Cb 0.13 -3.14 -0.02 0.00 -1.53 0.00 0.00 36.38 31.82 2w4l s VAL 82 CO 0.81 0.05 -0.07 0.00 -3.33 0.00 0.00 175.10 172.56 2w4l s HIS 84 N 0.75 3.26 0.30 0.00 3.76 -1.26 -0.75 115.29 121.35 2w4l s HIS 84 Ca -0.03 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.48 2w4l s HIS 84 Cb -0.15 -2.89 0.81 0.00 1.11 0.00 0.00 32.58 31.46 2w4l s HIS 84 CO 0.02 -0.42 1.63 0.00 -0.85 0.00 0.00 174.74 175.12 2w4l h ALA 85 N 1.42 1.41 -0.36 -1.40 0.00 -1.83 -1.75 119.26 116.75 2w4l h ALA 85 Ca -0.48 0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2w4l h ALA 85 Cb 1.19 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2w4l h ALA 85 CO 0.60 -0.53 -0.24 0.93 0.00 0.00 0.00 179.25 180.01 2w4l h GLU 86 N 0.18 0.81 -0.41 0.00 3.07 -1.90 -0.71 114.58 115.62 2w4l h GLU 86 Ca 0.60 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2w4l h GLU 86 Cb 1.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 2w4l h GLU 86 CO -0.69 1.01 0.27 1.25 -1.40 0.00 0.00 179.01 179.45 2w4l h LEU 87 N 0.60 0.48 -0.55 1.33 6.46 -1.75 -2.42 115.31 119.46 2w4l h LEU 87 Ca 0.07 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.70 2w4l h LEU 87 Cb 0.81 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2w4l h LEU 87 CO 0.07 0.36 -0.08 0.78 -0.62 0.00 0.00 178.44 178.94 2w4l h ASN 88 N 0.56 1.02 -0.83 1.25 2.35 -1.16 -1.78 115.58 116.99 2w4l h ASN 88 Ca 0.15 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2w4l h ASN 88 Cb -0.05 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 2w4l h ASN 88 CO -0.03 1.12 0.54 0.00 -1.65 0.00 0.00 177.43 177.41 2w4l h ALA 89 N 0.93 1.05 -0.47 -0.83 0.00 -1.09 -1.68 119.26 117.17 2w4l h ALA 89 Ca 0.14 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2w4l h ALA 89 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2w4l h ALA 89 CO 0.04 0.47 -0.13 0.82 0.00 0.00 0.00 179.25 180.45 2w4l h ILE 90 N 1.13 1.27 0.00 0.00 2.04 -1.26 -2.02 117.51 118.67 2w4l h ILE 90 Ca 0.30 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 2w4l h ILE 90 Cb -0.12 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2w4l h ILE 90 CO -0.06 0.44 -0.31 0.24 0.00 0.00 0.00 178.15 178.45 2w4l h MET 91 N 0.77 0.00 0.00 2.37 2.86 -1.14 -2.47 114.93 117.33 2w4l h MET 91 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2w4l h MET 91 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2w4l h MET 91 CO 0.05 0.31 -0.18 -0.91 1.06 0.00 0.00 176.91 177.23 2w4l h ASN 92 N 0.00 0.00 0.00 1.22 4.21 -1.12 -3.51 115.58 116.37 2w4l h ASN 92 Ca -0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2w4l h ASN 92 Cb 0.72 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 2w4l h ASN 92 CO 0.04 0.01 0.00 0.29 -1.29 0.00 0.00 177.43 176.48 2w4l n LYS 93 N -2.82 3.30 -0.04 0.81 4.01 -0.78 -4.82 118.16 117.82 2w4l n LYS 93 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2w4l n LYS 93 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2w4l n LYS 93 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2w4l n VAL 98 N 0.00 0.00 0.00 -0.18 0.24 -1.26 -5.00 118.33 112.13 2w4l n VAL 98 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2w4l n VAL 98 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2w4l n VAL 98 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2w4l n LYS 99 N 0.00 0.00 -3.16 7.34 4.81 -1.25 -2.58 118.16 123.32 2w4l n LYS 99 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2w4l n LYS 99 Cb 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.03 2w4l n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2w4l n GLY 100 N 0.00 5.19 3.99 3.14 0.00 -1.25 -4.18 105.19 112.07 2w4l n GLY 100 Ca 0.00 -2.74 -0.22 0.00 0.00 0.00 0.00 46.02 43.06 2w4l n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w4l s SER 102 N -4.58 4.43 -0.16 0.00 0.01 0.44 -1.46 113.70 112.38 2w4l s SER 102 Ca 0.61 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.56 2w4l s SER 102 Cb -0.08 -0.89 0.01 0.00 0.21 0.00 0.00 66.02 65.27 2w4l s SER 102 CO 0.41 0.21 -0.19 -0.32 0.41 0.00 0.00 173.24 173.76 2w4l s MET 103 N -1.97 3.08 -0.17 12.44 1.75 0.26 -0.12 119.30 134.57 2w4l s MET 103 Ca 0.20 -0.81 -0.17 0.00 -1.25 0.00 0.00 55.69 53.67 2w4l s MET 103 Cb -0.11 -2.56 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 2w4l s MET 103 CO 0.12 -0.07 0.42 0.71 -0.65 0.00 0.00 175.02 175.55 2w4l s TYR 104 N 0.99 3.42 0.00 4.11 2.02 0.78 -0.32 117.35 128.35 2w4l s TYR 104 Ca -0.02 0.71 0.01 0.00 -0.37 0.00 0.00 57.07 57.39 2w4l s TYR 104 Cb -0.15 -2.53 -0.00 0.00 -0.40 0.00 0.00 41.96 38.88 2w4l s TYR 104 CO -0.05 0.06 -0.02 0.54 -1.57 0.00 0.00 175.55 174.51 2w4l s VAL 105 N 1.06 0.18 0.35 0.71 0.11 -0.03 -0.37 120.40 122.41 2w4l s VAL 105 Ca 0.21 -0.18 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 2w4l s VAL 105 Cb -0.15 -0.18 0.13 0.00 -1.53 0.00 0.00 36.38 34.66 2w4l s VAL 105 CO 0.08 -0.00 1.85 0.00 -3.33 0.00 0.00 175.10 173.70 2w4l h ALA 106 N 5.94 1.37 -3.78 1.54 0.00 -1.68 -2.09 119.26 120.56 2w4l h ALA 106 Ca -0.26 -0.25 -0.39 0.00 0.00 0.00 0.00 54.91 54.00 2w4l h ALA 106 Cb 1.20 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 2w4l h ALA 106 CO 0.50 0.43 -0.77 -1.17 0.00 0.00 0.00 179.25 178.23 2w4l s LEU 107 N -8.72 1.75 0.06 0.00 2.96 -1.26 -0.67 118.68 112.81 2w4l s LEU 107 Ca -0.06 -0.14 -0.37 0.00 -0.22 0.00 0.00 54.13 53.34 2w4l s LEU 107 Cb 0.15 -0.44 -0.17 0.00 0.50 0.00 0.00 46.19 46.23 2w4l s LEU 107 CO 0.75 0.04 1.37 0.33 -1.32 0.00 0.00 176.35 177.52 2w4l n PHE 108 N 3.34 1.54 -1.85 5.38 7.35 0.23 -4.89 117.46 128.55 2w4l n PHE 108 Ca -0.18 0.64 -0.38 0.00 -0.76 0.00 0.00 57.45 56.76 2w4l n PHE 108 Cb 0.55 -2.34 0.04 0.00 0.35 0.00 0.00 39.48 38.07 2w4l n PHE 108 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2w4l s PRO 109 N 0.70 3.16 0.93 -7.13 0.02 -1.26 -5.00 135.00 126.41 2w4l s PRO 109 Ca 0.86 2.14 -0.14 0.00 0.02 0.00 0.00 61.00 63.87 2w4l s PRO 109 Cb -0.97 -2.22 0.15 0.00 0.02 0.00 0.00 34.50 31.49 2w4l s PRO 109 CO 0.48 -1.15 1.19 0.00 -0.33 0.00 0.00 177.00 177.20 2w4l h ASN 111 N -1.54 0.49 -0.26 0.00 -1.07 -1.92 0.02 115.58 111.30 2w4l h ASN 111 Ca -0.47 -0.08 -0.10 0.00 0.07 0.00 0.00 56.30 55.71 2w4l h ASN 111 Cb 1.30 -0.13 -0.00 0.00 -2.07 0.00 0.00 38.32 37.42 2w4l h ASN 111 CO 0.54 0.54 -0.24 -0.33 0.07 0.00 0.00 177.43 178.01 2w4l h GLU 112 N 0.51 0.63 -0.40 4.14 4.39 -1.94 -2.70 114.58 119.21 2w4l h GLU 112 Ca 0.11 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 2w4l h GLU 112 Cb 0.29 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2w4l h GLU 112 CO 0.01 0.93 -0.03 0.00 -1.16 0.00 0.00 179.01 178.75 2w4l h ALA 114 N 1.35 0.74 -0.56 0.00 0.00 -0.89 0.29 119.26 120.18 2w4l h ALA 114 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2w4l h ALA 114 Cb 0.44 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2w4l h ALA 114 CO 0.02 -0.20 0.37 0.87 0.00 0.00 0.00 179.25 180.31 2w4l h LYS 115 N 0.39 0.73 -0.43 0.00 1.57 -1.15 -0.54 116.57 117.15 2w4l h LYS 115 Ca 0.29 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2w4l h LYS 115 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2w4l h LYS 115 CO -0.29 0.48 0.22 -0.07 -0.57 0.00 0.00 179.45 179.23 2w4l h LEU 116 N 0.75 0.55 -0.60 2.94 4.07 -1.20 -0.41 115.31 121.40 2w4l h LEU 116 Ca 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 2w4l h LEU 116 Cb -0.07 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 2w4l h LEU 116 CO -0.05 0.49 0.31 0.40 -1.08 0.00 0.00 178.44 178.51 2w4l h ILE 117 N 0.56 1.20 0.10 1.22 2.04 -0.71 0.11 117.51 122.03 2w4l h ILE 117 Ca 0.15 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2w4l h ILE 117 Cb 0.08 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2w4l h ILE 117 CO -0.02 0.23 -0.05 0.40 0.00 0.00 0.00 178.15 178.71 2w4l h ILE 118 N 0.82 1.04 0.00 -0.67 2.04 -0.94 -2.64 117.51 117.17 2w4l h ILE 118 Ca 0.21 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2w4l h ILE 118 Cb 0.08 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2w4l h ILE 118 CO -0.03 0.13 -0.09 1.56 0.00 0.00 0.00 178.15 179.72 2w4l h GLN 119 N -0.38 0.00 0.00 2.37 1.08 -0.94 -1.64 115.11 115.60 2w4l h GLN 119 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2w4l h GLN 119 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2w4l h GLN 119 CO 0.02 0.09 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 2w4l h ALA 120 N 1.91 1.00 0.00 3.87 0.00 -0.62 -3.47 119.26 121.95 2w4l h ALA 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2w4l h ALA 120 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2w4l h ALA 120 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2w4l n GLY 121 N 0.47 0.77 3.73 0.00 0.00 -0.62 -3.91 105.19 105.63 2w4l n GLY 121 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2w4l n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w4l s ILE 122 N -2.14 3.41 -0.53 -0.61 1.01 -1.01 -3.92 121.20 117.41 2w4l s ILE 122 Ca 0.00 1.08 0.18 0.00 0.00 0.00 0.00 60.65 61.91 2w4l s ILE 122 Cb 0.00 -3.69 -0.23 0.00 0.01 0.00 0.00 42.46 38.55 2w4l s ILE 122 CO 0.00 0.12 0.62 0.29 0.00 0.00 0.00 174.94 175.97 2w4l n LYS 123 N 3.29 0.90 -3.75 2.79 4.76 -0.53 -4.67 118.16 120.95 2w4l n LYS 123 Ca 0.08 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 2w4l n LYS 123 Cb 0.43 -1.38 -0.12 0.00 -1.84 0.00 0.00 35.03 32.13 2w4l n LYS 123 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2w4l s GLU 124 N -2.91 0.28 -0.17 1.97 2.12 -1.23 -0.41 118.70 118.35 2w4l s GLU 124 Ca 0.02 0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.84 2w4l s GLU 124 Cb 0.13 0.03 0.03 0.00 0.26 0.00 0.00 34.13 34.57 2w4l s GLU 124 CO 0.74 -0.10 -0.15 0.08 -0.54 0.00 0.00 175.26 175.29 2w4l s VAL 125 N 0.72 1.78 -0.26 3.70 1.01 0.77 -0.57 120.40 127.54 2w4l s VAL 125 Ca -0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 2w4l s VAL 125 Cb -0.06 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2w4l s VAL 125 CO -0.05 0.41 0.07 -0.63 0.00 0.00 0.00 175.10 174.91 2w4l s ILE 126 N 1.38 4.20 0.06 2.22 1.09 0.56 -1.57 121.20 129.13 2w4l s ILE 126 Ca 0.03 -0.34 0.09 0.00 -1.10 0.00 0.00 60.65 59.33 2w4l s ILE 126 Cb -0.14 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 2w4l s ILE 126 CO -0.11 0.26 -0.24 0.72 -0.10 0.00 0.00 174.94 175.47 2w4l s PHE 127 N 1.58 2.07 -0.14 3.97 -0.12 -0.90 -0.85 117.98 123.59 2w4l s PHE 127 Ca 0.05 -0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 56.43 2w4l s PHE 127 Cb -0.16 -1.21 -0.08 0.00 -0.63 0.00 0.00 43.02 40.94 2w4l s PHE 127 CO 0.03 0.14 0.07 1.98 -0.05 0.00 0.00 175.22 177.39 2w4l h MET 128 N 4.67 0.00 -5.83 1.99 1.85 -1.37 0.30 114.93 116.54 2w4l h MET 128 Ca -0.45 0.00 -0.67 0.00 -0.61 0.00 0.00 59.70 57.97 2w4l h MET 128 Cb 1.16 0.00 -0.14 0.00 0.43 0.00 0.00 31.60 33.04 2w4l h MET 128 CO 0.43 0.29 -0.60 0.45 -0.40 0.00 0.00 176.91 177.08 2w4l s SER 129 N -5.91 5.42 -0.32 1.39 0.15 0.15 -4.65 113.70 109.94 2w4l s SER 129 Ca -0.12 0.17 0.11 0.00 0.70 0.00 0.00 55.95 56.81 2w4l s SER 129 Cb 0.01 -1.62 0.46 0.00 -1.71 0.00 0.00 66.02 63.16 2w4l s SER 129 CO 0.26 0.35 1.12 -0.67 1.20 0.00 0.00 173.24 175.51 2w4l n ASP 130 N 2.31 3.73 -0.33 5.45 2.03 -1.26 -0.60 116.55 127.88 2w4l n ASP 130 Ca -0.19 -3.25 0.23 0.00 0.52 0.00 0.00 54.79 52.11 2w4l n ASP 130 Cb 0.54 -0.42 0.46 0.00 -0.72 0.00 0.00 41.12 40.98 2w4l n ASP 130 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2w4l h LYS 131 N 2.47 0.24 -0.87 -0.67 1.57 -1.97 -2.62 116.57 114.72 2w4l h LYS 131 Ca 0.19 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.39 2w4l h LYS 131 Cb 1.29 -0.05 -0.29 0.00 0.08 0.00 0.00 32.23 33.25 2w4l h LYS 131 CO 0.63 0.16 0.39 0.66 -0.57 0.00 0.00 179.45 180.72 2w4l n TYR 132 N -5.12 2.82 -0.25 -1.35 4.01 -1.26 -4.75 117.16 111.26 2w4l n TYR 132 Ca 0.31 -2.47 0.03 0.00 -0.16 0.00 0.00 57.90 55.61 2w4l n TYR 132 Cb 0.99 -1.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.15 2w4l n TYR 132 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2w4l h HIS 133 N 1.70 0.58 -0.01 -0.72 -0.00 -1.88 -1.70 115.15 113.12 2w4l h HIS 133 Ca 0.52 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.92 2w4l h HIS 133 Cb 1.46 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 2w4l h HIS 133 CO 1.31 0.16 0.00 -0.25 -0.00 0.00 0.00 177.93 179.15 2w4l n ASP 134 N -4.92 0.29 -4.78 3.26 8.00 -1.26 -4.15 116.55 112.99 2w4l n ASP 134 Ca 0.12 -1.15 -0.32 0.00 0.71 0.00 0.00 54.79 54.15 2w4l n ASP 134 Cb 0.33 -0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.48 2w4l n ASP 134 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2w4l s SER 135 N -1.93 5.06 0.23 -2.24 1.04 -0.64 -4.92 113.70 110.30 2w4l s SER 135 Ca 0.43 1.84 -0.00 0.00 0.48 0.00 0.00 55.95 58.70 2w4l s SER 135 Cb 0.21 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 64.04 2w4l s SER 135 CO 0.34 -1.66 1.60 0.44 0.98 0.00 0.00 173.24 174.94 2w4l h ASP 136 N -0.44 0.53 0.26 7.02 3.32 -1.89 -1.67 116.42 123.55 2w4l h ASP 136 Ca -0.45 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.34 2w4l h ASP 136 Cb 1.23 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2w4l h ASP 136 CO 0.54 0.90 -0.12 -0.33 -1.72 0.00 0.00 179.24 178.50 2w4l h GLU 137 N 0.41 -0.34 -0.68 3.56 3.07 -1.93 0.53 114.58 119.21 2w4l h GLU 137 Ca 0.03 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 2w4l h GLU 137 Cb 0.92 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 2w4l h GLU 137 CO 0.08 -0.19 0.37 0.00 -1.40 0.00 0.00 179.01 177.87 2w4l h ALA 138 N 0.33 0.87 -0.21 3.43 0.00 -1.76 0.12 119.26 122.04 2w4l h ALA 138 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2w4l h ALA 138 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2w4l h ALA 138 CO 0.06 0.39 0.13 1.15 0.00 0.00 0.00 179.25 180.97 2w4l h THR 139 N 0.93 1.09 -0.91 0.00 2.02 -1.24 0.29 112.91 115.08 2w4l h THR 139 Ca 0.24 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.23 2w4l h THR 139 Cb 0.05 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 2w4l h THR 139 CO -0.04 0.09 0.59 0.00 0.37 0.00 0.00 175.52 176.53 2w4l h ALA 140 N 1.03 1.20 -0.25 6.16 0.00 -0.64 -2.33 119.26 124.43 2w4l h ALA 140 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2w4l h ALA 140 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2w4l h ALA 140 CO -0.01 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.81 2w4l h ALA 141 N 1.37 0.33 -0.77 0.00 0.00 -0.25 -1.98 119.26 117.96 2w4l h ALA 141 Ca 0.36 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2w4l h ALA 141 Cb -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 2w4l h ALA 141 CO -0.11 -0.09 0.46 0.00 0.00 0.00 0.00 179.25 179.50 2w4l h ARG 142 N 0.26 0.80 -0.32 0.00 3.08 -0.71 -1.55 114.38 115.95 2w4l h ARG 142 Ca 0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2w4l h ARG 142 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2w4l h ARG 142 CO -0.01 0.53 0.08 1.25 -1.07 0.00 0.00 179.97 180.75 2w4l h LEU 143 N 0.83 0.48 -0.48 3.04 5.85 -1.28 -1.26 115.31 122.49 2w4l h LEU 143 Ca 0.35 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2w4l h LEU 143 Cb 0.20 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2w4l h LEU 143 CO -0.19 0.58 0.28 -0.07 -0.34 0.00 0.00 178.44 178.71 2w4l h LEU 144 N 0.36 0.45 -0.45 2.25 3.38 -1.02 -0.82 115.31 119.46 2w4l h LEU 144 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2w4l h LEU 144 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2w4l h LEU 144 CO 0.00 0.32 0.29 -0.26 0.09 0.00 0.00 178.44 178.89 2w4l h PHE 145 N 0.56 0.58 -0.66 1.13 0.04 -1.21 -2.07 116.94 115.31 2w4l h PHE 145 Ca 0.19 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 2w4l h PHE 145 Cb 0.02 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 2w4l h PHE 145 CO -0.07 0.38 0.17 -0.91 -0.60 0.00 0.00 178.31 177.28 2w4l h ASN 146 N 0.61 0.98 -0.61 2.17 2.35 -0.86 -0.47 115.58 119.74 2w4l h ASN 146 Ca 0.17 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2w4l h ASN 146 Cb -0.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 2w4l h ASN 146 CO -0.03 0.93 0.28 0.24 -1.65 0.00 0.00 177.43 177.20 2w4l h MET 147 N 0.99 0.92 -0.03 0.81 2.86 -1.03 -3.13 114.93 116.33 2w4l h MET 147 Ca 0.21 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2w4l h MET 147 Cb 0.33 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2w4l h MET 147 CO -0.00 0.74 -0.02 0.00 1.06 0.00 0.00 176.91 178.68 2w4l n ALA 148 N -2.44 2.55 -2.28 6.32 0.00 -0.79 -4.96 120.51 118.90 2w4l n ALA 148 Ca 0.06 -0.62 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 2w4l n ALA 148 Cb 0.15 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2w4l n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w4l n GLY 149 N 1.31 0.28 3.59 0.00 0.00 -0.51 -5.02 105.19 104.83 2w4l n GLY 149 Ca 0.15 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2w4l n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w4l s VAL 150 N -2.47 5.22 0.24 1.61 1.01 -0.30 -4.95 120.40 120.75 2w4l s VAL 150 Ca 0.04 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2w4l s VAL 150 Cb -0.02 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 2w4l s VAL 150 CO 0.05 0.28 1.13 -0.89 0.00 0.00 0.00 175.10 175.67 2w4l s THR 151 N 1.57 3.54 -0.02 3.92 2.01 0.45 -4.44 115.64 122.67 2w4l s THR 151 Ca 0.07 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.54 2w4l s THR 151 Cb -0.15 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2w4l s THR 151 CO 0.09 0.30 -0.10 0.72 -0.69 0.00 0.00 174.62 174.94 2w4l s PHE 152 N -0.74 1.01 -0.05 4.92 -0.71 -1.26 -0.17 117.98 120.99 2w4l s PHE 152 Ca 0.47 -0.25 -0.09 0.00 -1.04 0.00 0.00 56.93 56.03 2w4l s PHE 152 Cb -0.32 -0.71 0.02 0.00 -1.21 0.00 0.00 43.02 40.80 2w4l s PHE 152 CO 0.39 -0.09 0.21 -0.98 -1.34 0.00 0.00 175.22 173.41 2w4l s ARG 153 N 0.13 0.39 0.13 1.99 1.70 -0.61 -4.98 118.95 117.70 2w4l s ARG 153 Ca -0.02 0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 54.96 2w4l s ARG 153 Cb -0.08 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.41 2w4l s ARG 153 CO 0.00 -0.08 1.10 0.21 -1.08 0.00 0.00 175.30 175.46 2w4l s LYS 154 N -0.55 4.56 0.03 3.89 2.20 -1.26 -2.11 119.74 126.50 2w4l s LYS 154 Ca -0.06 1.69 -0.24 0.00 -0.36 0.00 0.00 55.97 56.99 2w4l s LYS 154 Cb -0.04 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2w4l s LYS 154 CO 0.01 -0.01 0.74 0.12 -0.36 0.00 0.00 175.35 175.86 2w4l s PHE 155 N 0.19 3.72 -0.33 4.03 5.36 0.10 -4.86 117.98 126.19 2w4l s PHE 155 Ca 0.52 1.43 0.03 0.00 -0.96 0.00 0.00 56.93 57.94 2w4l s PHE 155 Cb -0.28 -2.79 0.09 0.00 -0.34 0.00 0.00 43.02 39.70 2w4l s PHE 155 CO 0.33 0.28 0.03 0.42 -1.46 0.00 0.00 175.22 174.81 2w4l s ILE 156 N -0.03 2.38 0.70 3.12 -1.09 -1.26 -4.74 121.20 120.27 2w4l s ILE 156 Ca 0.37 -2.16 -0.11 0.00 -2.23 0.00 0.00 60.65 56.53 2w4l s ILE 156 Cb -0.20 -2.67 0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2w4l s ILE 156 CO 0.22 -0.49 1.06 -2.16 -1.23 0.00 0.00 174.94 172.35 2w4l s PRO 157 N 0.97 2.94 0.00 2.79 0.04 -1.26 -5.05 135.00 135.44 2w4l s PRO 157 Ca 0.06 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2w4l s PRO 157 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2w4l s PRO 157 CO -0.07 -1.05 0.10 1.63 0.04 0.00 0.00 177.00 177.64 2w4l n LYS 158 N -3.08 0.00 -3.29 4.56 4.01 -1.26 -4.84 118.16 114.26 2w4l n LYS 158 Ca 0.07 0.23 -0.35 0.00 -0.51 0.00 0.00 58.31 57.75 2w4l n LYS 158 Cb 0.55 -0.80 -0.06 0.00 -0.51 0.00 0.00 35.03 34.21 2w4l n LYS 158 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2w4l h SER 160 N 3.45 0.00 -4.28 0.00 0.87 -2.04 -3.45 113.55 108.11 2w4l h SER 160 Ca -0.48 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.54 2w4l h SER 160 Cb 1.19 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.86 2w4l h SER 160 CO 0.66 0.01 -0.83 -0.75 -0.53 0.00 0.00 176.83 175.39 2w4l s LYS 161 N -3.50 1.39 -0.11 2.24 2.20 -1.26 -5.13 119.74 115.58 2w4l s LYS 161 Ca 0.03 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 2w4l s LYS 161 Cb 0.08 -1.33 0.02 0.00 -1.51 0.00 0.00 37.83 35.08 2w4l s LYS 161 CO 0.59 0.36 -0.12 0.42 -0.36 0.00 0.00 175.35 176.24 2w4l s ILE 162 N -0.37 1.29 -0.23 5.43 1.01 -1.26 -5.06 121.20 122.00 2w4l s ILE 162 Ca 0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2w4l s ILE 162 Cb -0.07 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2w4l s ILE 162 CO -0.01 0.40 0.14 -0.69 0.00 0.00 0.00 174.94 174.79 2w4l s VAL 163 N 1.21 5.19 -0.31 2.92 1.01 -1.26 -5.07 120.40 124.10 2w4l s VAL 163 Ca -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2w4l s VAL 163 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2w4l s VAL 163 CO -0.04 0.36 0.22 -0.63 0.00 0.00 0.00 175.10 175.02 2w4l s ILE 164 N 0.98 5.29 -0.24 2.22 -1.09 -1.26 -5.05 121.20 122.05 2w4l s ILE 164 Ca 0.07 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2w4l s ILE 164 Cb -0.13 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2w4l s ILE 164 CO 0.04 0.13 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.16 2w4l s ASP 165 N 1.74 4.12 0.47 3.58 2.15 -1.26 -5.00 116.67 122.47 2w4l s ASP 165 Ca 0.07 -0.92 0.31 0.00 0.43 0.00 0.00 52.55 52.44 2w4l s ASP 165 Cb -0.17 -1.61 1.26 0.00 -0.30 0.00 0.00 42.92 42.10 2w4l s ASP 165 CO 0.11 -0.11 1.91 -0.26 -0.17 0.00 0.00 175.17 176.64 2w4l h PHE 166 N 7.96 0.00 0.00 -5.34 0.05 -2.01 -1.87 116.94 115.73 2w4l h PHE 166 Ca -0.33 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.46 2w4l h PHE 166 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.05 2w4l h PHE 166 CO 0.57 0.00 0.00 -0.25 -0.18 0.00 0.00 178.31 178.45 2w4l n ASP 167 N -2.85 0.60 0.00 2.17 8.00 -1.26 -4.19 116.55 119.02 2w4l n ASP 167 Ca 0.01 0.59 0.03 0.00 0.71 0.00 0.00 54.79 56.13 2w4l n ASP 167 Cb 0.29 -0.74 0.14 0.00 -0.02 0.00 0.00 41.12 40.79 2w4l n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2w4l n SER 168 N -2.10 0.00 0.00 -2.24 3.41 -0.70 -5.32 113.62 106.66 2w4l n SER 168 Ca 0.04 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2w4l n SER 168 Cb 0.33 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2w4l n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88