#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkt n SER 44 N 0.00 -1.47 -0.48 1.61 2.88 -1.26 -4.93 113.62 109.96 1hkt n SER 44 Ca 0.00 -2.20 -0.06 0.00 -1.33 0.00 0.00 58.87 55.29 1hkt n SER 44 Cb 0.00 1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 64.68 1hkt n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hkt n GLY 45 N 0.09 0.66 3.73 0.46 0.00 -1.26 -4.97 105.19 103.90 1hkt n GLY 45 Ca -0.09 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1hkt n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hkt s VAL 46 N -2.23 4.35 1.22 1.61 1.01 -1.26 -4.96 120.40 120.14 1hkt s VAL 46 Ca 0.00 1.96 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1hkt s VAL 46 Cb 0.00 -4.25 0.25 0.00 0.00 0.00 0.00 36.38 32.39 1hkt s VAL 46 CO 0.00 0.30 0.65 -2.65 0.00 0.00 0.00 175.10 173.40 1hkt n PRO 47 N 2.75 -2.75 0.13 2.72 -0.01 -1.26 -4.79 135.00 131.79 1hkt n PRO 47 Ca 0.03 -0.79 -0.24 0.00 -0.01 0.00 0.00 63.50 62.48 1hkt n PRO 47 Cb 0.48 -1.93 -0.16 0.00 -0.01 0.00 0.00 33.50 31.89 1hkt n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1hkt h ALA 48 N -2.73 -0.09 -0.43 3.55 0.00 -1.97 -2.77 119.26 114.81 1hkt h ALA 48 Ca -0.54 -0.92 0.07 0.00 0.00 0.00 0.00 54.91 53.52 1hkt h ALA 48 Cb 1.30 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 1hkt h ALA 48 CO 0.40 0.78 -0.41 0.35 0.00 0.00 0.00 179.25 180.36 1hkt h PHE 49 N 0.14 -1.18 0.16 0.00 3.04 -2.00 0.23 116.94 117.32 1hkt h PHE 49 Ca -0.27 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.74 1hkt h PHE 49 Cb 2.15 0.58 0.00 0.00 2.56 0.00 0.00 35.95 41.24 1hkt h PHE 49 CO 0.12 -0.43 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.84 1hkt h LEU 50 N -0.30 -0.18 -1.70 0.59 4.07 -1.95 -2.96 115.31 112.90 1hkt h LEU 50 Ca 0.15 -0.31 0.36 0.00 0.08 0.00 0.00 57.88 58.17 1hkt h LEU 50 Cb 0.57 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.28 1hkt h LEU 50 CO -0.59 0.24 0.86 0.00 -1.08 0.00 0.00 178.44 177.88 1hkt h ALA 51 N 0.10 2.87 -0.23 1.53 0.00 -1.13 0.38 119.26 122.77 1hkt h ALA 51 Ca -0.02 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1hkt h ALA 51 Cb 0.47 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hkt h ALA 51 CO 0.04 -1.30 -0.25 0.87 0.00 0.00 0.00 179.25 178.60 1hkt h LYS 52 N 0.13 0.58 -0.24 0.00 1.57 -0.39 -2.97 116.57 115.25 1hkt h LYS 52 Ca 0.66 -0.31 0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1hkt h LYS 52 Cb 2.26 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 34.51 1hkt h LYS 52 CO -0.17 0.91 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.24 1hkt h LEU 53 N 0.28 -0.99 -1.25 2.94 3.38 -0.13 1.12 115.31 120.66 1hkt h LEU 53 Ca 0.03 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.36 1hkt h LEU 53 Cb 0.81 0.44 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 1hkt h LEU 53 CO 0.06 -0.33 0.61 -0.25 0.09 0.00 0.00 178.44 178.62 1hkt h TRP 54 N -0.32 0.82 0.00 1.13 2.91 -1.51 0.80 115.95 119.79 1hkt h TRP 54 Ca 0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1hkt h TRP 54 Cb 0.53 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1hkt h TRP 54 CO -0.45 0.21 -0.27 0.54 -1.03 0.00 0.00 178.44 177.44 1hkt n ARG 55 N -4.63 0.11 -0.09 2.65 1.74 0.82 -3.95 116.66 113.31 1hkt n ARG 55 Ca 0.21 0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 57.14 1hkt n ARG 55 Cb 0.62 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 30.35 1hkt n ARG 55 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1hkt h LEU 56 N 0.00 0.06 -3.62 0.55 6.46 0.75 -3.36 115.31 116.16 1hkt h LEU 56 Ca 0.00 -0.61 -0.06 0.00 -0.12 0.00 0.00 57.88 57.10 1hkt h LEU 56 Cb 0.59 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1hkt h LEU 56 CO 0.00 1.50 -0.07 0.52 -0.62 0.00 0.00 178.44 179.76 1hkt n VAL 57 N -4.33 1.86 -1.41 1.05 0.31 0.73 -4.72 118.33 111.81 1hkt n VAL 57 Ca -0.30 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.34 1hkt n VAL 57 Cb 0.71 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1hkt n VAL 57 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1hkt n ASP 58 N 2.01 0.23 -0.67 4.52 5.75 -1.26 -4.88 116.55 122.25 1hkt n ASP 58 Ca 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.84 1hkt n ASP 58 Cb 0.52 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 1hkt n ASP 58 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1hkt n ASP 59 N 0.00 -3.85 -3.64 -1.12 9.92 -1.26 -3.31 116.55 113.28 1hkt n ASP 59 Ca 0.00 0.16 -0.23 0.00 -0.53 0.00 0.00 54.79 54.20 1hkt n ASP 59 Cb 0.00 -2.94 0.00 0.00 -0.64 0.00 0.00 41.12 37.54 1hkt n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hkt n ALA 60 N 0.63 -2.59 -1.39 2.24 0.00 -1.26 -4.85 120.51 113.30 1hkt n ALA 60 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1hkt n ALA 60 Cb 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1hkt n ALA 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1hkt n ASP 61 N -2.19 0.00 0.02 0.00 5.75 -1.21 -5.00 116.55 113.92 1hkt n ASP 61 Ca -0.28 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1hkt n ASP 61 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1hkt n ASP 61 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1hkt n THR 62 N 0.00 0.00 0.00 2.12 -2.24 -1.26 -5.02 114.28 107.88 1hkt n THR 62 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hkt n THR 62 Cb 0.35 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1hkt n THR 62 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hkt n ASN 63 N -2.63 0.00 -0.31 3.42 5.03 -0.74 -2.47 115.26 117.57 1hkt n ASN 63 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 1hkt n ASN 63 Cb 0.00 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.02 1hkt n ASN 63 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1hkt n ARG 64 N 0.00 -0.07 0.09 3.52 0.63 -1.26 0.18 116.66 119.75 1hkt n ARG 64 Ca 0.00 1.34 -0.04 0.00 -0.92 0.00 0.00 57.85 58.24 1hkt n ARG 64 Cb 0.00 -2.14 -0.05 0.00 0.45 0.00 0.00 32.46 30.73 1hkt n ARG 64 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1hkt h LEU 65 N 0.00 0.00 -7.00 6.15 3.38 -1.86 -3.37 115.31 112.61 1hkt h LEU 65 Ca 0.54 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.55 1hkt h LEU 65 Cb 1.12 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.66 1hkt h LEU 65 CO -0.84 0.82 0.04 -0.51 0.09 0.00 0.00 178.44 178.04 1hkt s ILE 66 N -2.87 -0.07 0.33 1.22 2.07 0.49 -4.14 121.20 118.23 1hkt s ILE 66 Ca 0.02 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.23 1hkt s ILE 66 Cb 0.10 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.69 1hkt s ILE 66 CO 0.79 0.00 0.45 0.00 -1.91 0.00 0.00 174.94 174.28 1hkt s TRP 68 N -3.16 3.31 -0.15 0.00 0.52 -1.26 -1.91 118.94 116.29 1hkt s TRP 68 Ca 0.31 0.85 0.01 0.00 0.02 0.00 0.00 56.10 57.29 1hkt s TRP 68 Cb -0.00 -2.87 0.02 0.00 -1.15 0.00 0.00 33.47 29.46 1hkt s TRP 68 CO 0.20 -0.96 -0.18 0.95 0.02 0.00 0.00 176.95 176.97 1hkt s THR 69 N -3.15 1.85 0.06 2.01 -4.23 -1.14 -4.66 115.64 106.37 1hkt s THR 69 Ca 0.56 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1hkt s THR 69 Cb -0.11 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1hkt s THR 69 CO 0.48 0.51 0.00 0.29 -0.54 0.00 0.00 174.62 175.36 1hkt n LYS 70 N 4.44 -4.02 0.00 3.99 4.01 -1.26 -3.95 118.16 121.38 1hkt n LYS 70 Ca -0.19 2.88 0.00 0.00 -0.51 0.00 0.00 58.31 60.49 1hkt n LYS 70 Cb 0.51 -3.57 0.00 0.00 -0.51 0.00 0.00 35.03 31.46 1hkt n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1hkt n ASP 71 N 1.89 0.00 -2.71 4.39 9.92 -1.26 -3.48 116.55 125.30 1hkt n ASP 71 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1hkt n ASP 71 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1hkt n ASP 71 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1hkt n GLY 72 N 0.00 -0.62 0.15 0.44 0.00 -1.26 -4.97 105.19 98.94 1hkt n GLY 72 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1hkt n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hkt n GLN 73 N 1.11 0.00 -0.25 1.61 1.13 -1.23 -4.01 117.38 115.74 1hkt n GLN 73 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1hkt n GLN 73 Cb 0.69 -0.03 0.00 0.00 0.11 0.00 0.00 30.24 31.01 1hkt n GLN 73 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1hkt n SER 74 N -1.44 0.00 -3.71 1.08 3.41 -1.26 -4.33 113.62 107.38 1hkt n SER 74 Ca 0.00 -0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 57.97 1hkt n SER 74 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1hkt n SER 74 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1hkt s PHE 75 N 0.42 -0.53 0.29 7.33 -0.71 -1.20 -2.90 117.98 120.67 1hkt s PHE 75 Ca 0.00 1.21 0.08 0.00 -1.04 0.00 0.00 56.93 57.18 1hkt s PHE 75 Cb 0.00 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1hkt s PHE 75 CO 0.00 -0.28 0.14 0.54 -1.34 0.00 0.00 175.22 174.28 1hkt s VAL 76 N 0.77 3.64 -0.44 -2.49 0.11 -0.80 -2.67 120.40 118.52 1hkt s VAL 76 Ca -0.04 -1.63 0.08 0.00 -2.93 0.00 0.00 61.98 57.45 1hkt s VAL 76 Cb -0.05 -3.09 0.25 0.00 -1.53 0.00 0.00 36.38 31.96 1hkt s VAL 76 CO -0.06 -0.29 0.57 -0.38 -3.33 0.00 0.00 175.10 171.62 1hkt n ILE 77 N -1.12 -0.05 -0.37 7.04 5.41 -0.97 -2.44 119.36 126.87 1hkt n ILE 77 Ca -0.05 -4.28 -0.02 0.00 1.00 0.00 0.00 62.75 59.40 1hkt n ILE 77 Cb 0.59 -1.94 0.03 0.00 -0.71 0.00 0.00 39.64 37.61 1hkt n ILE 77 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1hkt h GLN 78 N 4.00 -0.02 -7.12 0.38 4.20 -1.79 -3.39 115.11 111.37 1hkt h GLN 78 Ca 0.10 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.35 1hkt h GLN 78 Cb 0.84 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1hkt h GLN 78 CO 0.54 -0.01 0.36 -0.80 -0.67 0.00 0.00 178.83 178.25 1hkt s ASN 79 N -5.35 6.73 0.04 1.46 -0.87 -1.26 -4.67 114.94 111.03 1hkt s ASN 79 Ca -0.14 1.67 0.00 0.00 -1.57 0.00 0.00 52.86 52.82 1hkt s ASN 79 Cb 0.19 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 1hkt s ASN 79 CO 0.71 -0.51 0.00 0.00 -2.57 0.00 0.00 177.10 174.73 1hkt n GLN 80 N -1.07 0.00 0.00 -0.60 1.13 -1.26 -4.42 117.38 111.15 1hkt n GLN 80 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1hkt n GLN 80 Cb 0.54 -0.18 0.00 0.00 0.11 0.00 0.00 30.24 30.70 1hkt n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hkt n ALA 81 N -2.89 -0.16 -0.40 -1.58 0.00 -1.26 -1.07 120.51 113.15 1hkt n ALA 81 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 1hkt n ALA 81 Cb 0.00 0.16 0.70 0.00 0.00 0.00 0.00 19.45 20.31 1hkt n ALA 81 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1hkt h GLN 82 N 0.00 0.09 -2.33 0.00 -0.00 -1.98 0.29 115.11 111.17 1hkt h GLN 82 Ca 0.00 -0.01 -0.42 0.00 -0.00 0.00 0.00 58.65 58.23 1hkt h GLN 82 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 27.48 27.40 1hkt h GLN 82 CO 0.00 0.06 1.17 0.34 0.00 0.00 0.00 178.83 180.39 1hkt n PHE 83 N -4.30 1.15 0.21 3.99 7.35 -0.23 -4.05 117.46 121.58 1hkt n PHE 83 Ca 0.30 -2.13 0.00 0.00 -0.76 0.00 0.00 57.45 54.86 1hkt n PHE 83 Cb 1.31 -1.84 0.00 0.00 0.35 0.00 0.00 39.48 39.30 1hkt n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1hkt n ALA 84 N 2.49 0.00 -0.42 3.13 0.00 0.09 -4.78 120.51 121.02 1hkt n ALA 84 Ca 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.98 1hkt n ALA 84 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1hkt n ALA 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1hkt n LYS 85 N -3.38 1.06 0.00 0.00 2.85 -1.23 -3.09 118.16 114.38 1hkt n LYS 85 Ca 0.00 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1hkt n LYS 85 Cb 0.00 -1.05 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1hkt n LYS 85 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1hkt n GLU 86 N 1.33 0.00 -0.08 -1.58 1.02 -1.26 -4.94 120.64 115.13 1hkt n GLU 86 Ca 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 1hkt n GLU 86 Cb 0.51 -0.08 -0.12 0.00 -0.02 0.00 0.00 31.44 31.73 1hkt n GLU 86 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1hkt n LEU 87 N -0.77 0.15 0.06 -4.62 4.77 -1.24 -4.57 117.00 110.79 1hkt n LEU 87 Ca 0.00 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1hkt n LEU 87 Cb 0.00 0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1hkt n LEU 87 CO 0.00 0.40 0.23 -0.07 -1.33 0.00 0.00 177.39 176.62 1hkt h LEU 88 N 0.00 0.52 0.00 2.23 3.38 -1.90 -3.44 115.31 116.10 1hkt h LEU 88 Ca -0.42 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.03 1hkt h LEU 88 Cb 1.93 -0.16 0.06 0.00 0.09 0.00 0.00 40.66 42.58 1hkt h LEU 88 CO 0.02 1.18 0.08 -0.81 0.09 0.00 0.00 178.44 179.00 1hkt n PRO 89 N -3.76 -1.09 -0.73 1.13 -0.04 -1.26 -1.73 135.00 127.51 1hkt n PRO 89 Ca -0.06 -0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 62.79 1hkt n PRO 89 Cb 0.80 -0.46 -0.01 0.00 -0.04 0.00 0.00 33.50 33.79 1hkt n PRO 89 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hkt n LEU 90 N 0.00 0.06 0.00 1.53 4.77 -1.26 -4.30 117.00 117.79 1hkt n LEU 90 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1hkt n LEU 90 Cb 0.18 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1hkt n LEU 90 CO 0.13 -0.46 0.00 -3.20 -1.33 0.00 0.00 177.39 172.52 1hkt n ASN 91 N 0.76 0.00 -0.10 -1.43 2.85 -1.23 -4.90 115.26 111.21 1hkt n ASN 91 Ca -0.03 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.56 1hkt n ASN 91 Cb 0.25 0.09 0.32 0.00 1.24 0.00 0.00 39.78 41.68 1hkt n ASN 91 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1hkt n TYR 92 N -1.87 0.00 0.00 1.20 4.01 -0.71 -4.94 117.16 114.85 1hkt n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1hkt n TYR 92 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 1hkt n TYR 92 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1hkt n LYS 93 N -1.16 0.00 -1.74 -0.72 3.00 -1.24 -4.91 118.16 111.40 1hkt n LYS 93 Ca 0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.98 1hkt n LYS 93 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.35 1hkt n LYS 93 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1hkt s HIS 94 N 0.00 2.81 0.00 5.64 -3.43 -1.26 -4.71 115.29 114.34 1hkt s HIS 94 Ca 0.00 0.54 0.00 0.00 -0.80 0.00 0.00 55.06 54.80 1hkt s HIS 94 Cb 0.00 -4.12 0.00 0.00 -1.43 0.00 0.00 32.58 27.03 1hkt s HIS 94 CO 0.00 -4.02 0.00 -1.71 -2.00 0.00 0.00 174.74 167.01 1hkt n ASN 95 N 3.08 0.00 -0.59 7.38 5.15 -1.26 -4.49 115.26 124.52 1hkt n ASN 95 Ca 0.12 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.15 1hkt n ASN 95 Cb 0.36 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.60 1hkt n ASN 95 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1hkt n ASN 96 N 0.00 -3.51 0.14 1.20 5.15 -1.26 -4.85 115.26 112.13 1hkt n ASN 96 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1hkt n ASN 96 Cb 0.00 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 37.92 1hkt n ASN 96 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1hkt n MET 97 N -1.69 0.00 0.25 1.20 0.00 -1.26 -4.81 117.12 110.81 1hkt n MET 97 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.70 57.77 1hkt n MET 97 Cb 0.18 0.00 0.37 0.00 0.00 0.00 0.00 33.22 33.76 1hkt n MET 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1hkt h ALA 98 N 0.00 1.46 -0.08 -5.12 0.00 -2.00 0.87 119.26 114.40 1hkt h ALA 98 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1hkt h ALA 98 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hkt h ALA 98 CO 0.00 -0.46 -0.87 1.03 0.00 0.00 0.00 179.25 178.95 1hkt h SER 99 N 0.00 0.89 0.47 0.00 0.87 -1.91 0.14 113.55 114.01 1hkt h SER 99 Ca 0.00 -0.68 -0.06 0.00 -1.23 0.00 0.00 61.79 59.82 1hkt h SER 99 Cb 1.07 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1hkt h SER 99 CO 0.00 1.45 -0.26 0.15 -0.53 0.00 0.00 176.83 177.63 1hkt h PHE 100 N 0.42 0.00 0.00 2.24 3.57 0.45 -2.51 116.94 121.10 1hkt h PHE 100 Ca -0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1hkt h PHE 100 Cb 1.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1hkt h PHE 100 CO 0.10 0.26 -0.26 0.82 -2.23 0.00 0.00 178.31 177.01 1hkt h ILE 101 N 0.00 0.77 0.00 1.41 2.04 -1.35 -2.78 117.51 117.60 1hkt h ILE 101 Ca -0.00 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1hkt h ILE 101 Cb 0.57 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1hkt h ILE 101 CO 0.03 0.26 0.14 -2.11 0.00 0.00 0.00 178.15 176.48 1hkt n ARG 102 N -4.65 0.05 0.03 2.37 -4.01 0.02 0.12 116.66 110.59 1hkt n ARG 102 Ca -0.09 0.48 -0.15 0.00 -1.04 0.00 0.00 57.85 57.04 1hkt n ARG 102 Cb 0.31 -1.80 -0.14 0.00 -3.04 0.00 0.00 32.46 27.78 1hkt n ARG 102 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 1hkt h GLN 103 N 0.00 0.17 -0.62 2.89 4.20 -1.46 -3.26 115.11 117.04 1hkt h GLN 103 Ca 0.00 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.47 1hkt h GLN 103 Cb 0.29 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1hkt h GLN 103 CO 0.00 0.96 0.41 -0.07 -0.67 0.00 0.00 178.83 179.46 1hkt h LEU 104 N 0.05 0.53 -0.43 1.46 3.38 0.12 -1.23 115.31 119.18 1hkt h LEU 104 Ca -0.29 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 1hkt h LEU 104 Cb 2.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1hkt h LEU 104 CO 0.12 0.35 -0.56 0.78 0.09 0.00 0.00 178.44 179.22 1hkt h ASN 105 N 0.61 0.74 -0.38 -0.43 4.21 -1.60 -2.56 115.58 116.17 1hkt h ASN 105 Ca 0.26 -0.40 0.07 0.00 1.21 0.00 0.00 56.30 57.45 1hkt h ASN 105 Cb 0.27 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1hkt h ASN 105 CO -0.08 1.15 0.26 0.24 -1.29 0.00 0.00 177.43 177.71 1hkt h MET 106 N 0.51 0.19 0.02 0.81 2.86 -1.27 -2.81 114.93 115.24 1hkt h MET 106 Ca 0.01 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hkt h MET 106 Cb 1.13 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1hkt h MET 106 CO 0.11 0.13 -0.01 1.88 1.06 0.00 0.00 176.91 180.08 1hkt h TYR 107 N 0.20 -0.02 0.00 -0.22 0.05 -1.33 -2.58 116.97 113.06 1hkt h TYR 107 Ca 0.17 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1hkt h TYR 107 Cb 0.44 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1hkt h TYR 107 CO -0.00 0.43 0.00 0.41 -1.05 0.00 0.00 178.16 177.95 1hkt n GLY 108 N 1.61 0.00 3.90 3.88 0.00 -0.99 -4.55 105.19 109.04 1hkt n GLY 108 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1hkt n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hkt s PHE 109 N 0.00 2.89 -0.25 1.61 0.40 -1.02 -4.98 117.98 116.63 1hkt s PHE 109 Ca 0.00 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1hkt s PHE 109 Cb 0.00 -1.98 0.13 0.00 0.51 0.00 0.00 43.02 41.68 1hkt s PHE 109 CO 0.00 0.01 0.36 -3.38 0.70 0.00 0.00 175.22 172.91 1hkt s HIS 110 N -2.32 -0.76 0.24 0.36 -3.43 -1.24 -4.74 115.29 103.40 1hkt s HIS 110 Ca 0.45 0.60 -0.30 0.00 -0.80 0.00 0.00 55.06 55.01 1hkt s HIS 110 Cb -0.06 -0.09 -0.09 0.00 -1.43 0.00 0.00 32.58 30.90 1hkt s HIS 110 CO 0.28 -0.76 1.13 -1.59 -2.00 0.00 0.00 174.74 171.80 1hkt s LYS 111 N 2.50 4.59 -0.86 -0.38 -2.85 -1.26 -3.23 119.74 118.25 1hkt s LYS 111 Ca 0.11 1.82 -0.04 0.00 -1.00 0.00 0.00 55.97 56.86 1hkt s LYS 111 Cb -0.15 -3.22 0.10 0.00 -2.06 0.00 0.00 37.83 32.51 1hkt s LYS 111 CO -0.19 0.10 2.56 -0.89 0.10 0.00 0.00 175.35 177.03 1hkt n ILE 112 N 1.73 4.27 -2.78 3.79 2.08 -1.16 -4.34 119.36 122.95 1hkt n ILE 112 Ca 0.01 -3.71 -0.01 0.00 0.56 0.00 0.00 62.75 59.60 1hkt n ILE 112 Cb 0.45 -1.80 0.08 0.00 -0.75 0.00 0.00 39.64 37.62 1hkt n ILE 112 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1hkt n THR 113 N 1.19 0.82 -0.06 1.39 5.66 -1.26 -4.77 114.28 117.25 1hkt n THR 113 Ca 0.55 -2.28 -0.22 0.00 -3.05 0.00 0.00 64.05 59.05 1hkt n THR 113 Cb 0.40 1.18 -0.13 0.00 -1.55 0.00 0.00 70.33 70.24 1hkt n THR 113 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1hkt n SER 114 N -0.89 1.98 0.00 1.09 7.64 -1.26 -4.85 113.62 117.32 1hkt n SER 114 Ca -0.01 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1hkt n SER 114 Cb 0.83 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1hkt n SER 114 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1hkt n ILE 115 N -4.03 0.00 -1.15 0.44 -5.35 -1.26 -4.66 119.36 103.35 1hkt n ILE 115 Ca -0.33 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 1hkt n ILE 115 Cb 0.84 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.72 1hkt n ILE 115 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1hkt n ASP 116 N 0.50 -3.42 -3.15 7.28 8.00 -1.26 -4.96 116.55 119.55 1hkt n ASP 116 Ca 0.00 0.09 0.06 0.00 0.71 0.00 0.00 54.79 55.65 1hkt n ASP 116 Cb 0.00 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 39.76 1hkt n ASP 116 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hkt s ASN 117 N -2.95 -0.35 0.00 -2.24 4.22 -1.26 -5.17 114.94 107.19 1hkt s ASN 117 Ca 0.00 0.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.87 1hkt s ASN 117 Cb 0.00 1.26 0.00 0.00 1.28 0.00 0.00 41.25 43.79 1hkt s ASN 117 CO 0.00 -0.06 0.00 0.61 -2.04 0.00 0.00 177.10 175.61 1hkt n GLY 118 N 5.35 2.56 0.00 0.45 0.00 -1.26 -5.08 105.19 107.21 1hkt n GLY 118 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1hkt n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkt n GLY 119 N 0.00 0.00 3.44 -0.02 0.00 -1.26 -5.14 105.19 102.21 1hkt n GLY 119 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1hkt n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hkt s LEU 120 N -0.17 0.12 0.00 0.99 2.01 -1.26 -5.00 118.68 115.37 1hkt s LEU 120 Ca 0.00 1.17 0.00 0.00 0.01 0.00 0.00 54.13 55.31 1hkt s LEU 120 Cb 0.00 -2.89 0.00 0.00 0.01 0.00 0.00 46.19 43.31 1hkt s LEU 120 CO 0.00 -4.58 0.00 0.54 1.01 0.00 0.00 176.35 173.32 1hkt n ARG 121 N -5.14 0.00 0.00 1.70 5.12 -1.26 -4.86 116.66 112.22 1hkt n ARG 121 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1hkt n ARG 121 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 1hkt n ARG 121 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1hkt n PHE 122 N 0.00 -0.98 -2.49 -1.55 3.01 -1.26 -4.94 117.46 109.24 1hkt n PHE 122 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 1hkt n PHE 122 Cb 0.00 0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1hkt n PHE 122 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1hkt n ASP 123 N -3.54 -4.79 -1.07 4.37 -0.08 -1.26 -4.99 116.55 105.20 1hkt n ASP 123 Ca 0.00 1.50 -0.03 0.00 -1.51 0.00 0.00 54.79 54.75 1hkt n ASP 123 Cb 0.00 -4.55 -0.01 0.00 2.34 0.00 0.00 41.12 38.90 1hkt n ASP 123 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1hkt n ARG 124 N 1.89 0.16 -1.13 -0.67 1.85 -1.26 -4.93 116.66 112.57 1hkt n ARG 124 Ca -0.17 -0.56 0.00 0.00 -1.00 0.00 0.00 57.85 56.12 1hkt n ARG 124 Cb 0.27 0.44 0.00 0.00 -1.05 0.00 0.00 32.46 32.12 1hkt n ARG 124 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1hkt n ASP 125 N -0.18 -0.68 -4.34 2.89 -0.08 -1.26 -4.98 116.55 107.92 1hkt n ASP 125 Ca -0.14 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.71 1hkt n ASP 125 Cb 0.54 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1hkt n ASP 125 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1hkt n GLU 126 N -0.79 3.14 -2.76 -0.67 1.02 -1.26 -4.56 120.64 114.76 1hkt n GLU 126 Ca 0.00 -3.17 -0.42 0.00 -0.02 0.00 0.00 57.16 53.55 1hkt n GLU 126 Cb 0.26 -3.39 -0.03 0.00 -0.02 0.00 0.00 31.44 28.26 1hkt n GLU 126 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1hkt s ILE 127 N 3.64 4.17 0.21 -3.67 2.07 -1.26 -4.76 121.20 121.59 1hkt s ILE 127 Ca 0.51 -0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 1hkt s ILE 127 Cb 0.06 -4.77 -0.05 0.00 0.13 0.00 0.00 42.46 37.83 1hkt s ILE 127 CO 0.03 -1.60 0.43 -0.70 -1.91 0.00 0.00 174.94 171.19 1hkt s GLU 128 N 4.47 3.57 -0.02 3.50 2.56 -1.26 -2.30 118.70 129.22 1hkt s GLU 128 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 54.97 55.07 1hkt s GLU 128 Cb -0.13 -2.79 0.00 0.00 2.00 0.00 0.00 34.13 33.21 1hkt s GLU 128 CO 0.09 0.37 -0.08 -0.06 -0.56 0.00 0.00 175.26 175.02 1hkt s PHE 129 N -1.87 0.84 -0.01 5.30 0.08 -1.09 -2.99 117.98 118.24 1hkt s PHE 129 Ca 0.40 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.29 1hkt s PHE 129 Cb -0.11 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 1hkt s PHE 129 CO 0.28 -0.09 -0.11 0.45 -0.10 0.00 0.00 175.22 175.64 1hkt s SER 130 N 0.23 1.33 -0.23 1.36 0.15 -1.20 -3.26 113.70 112.08 1hkt s SER 130 Ca -0.03 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.37 1hkt s SER 130 Cb -0.08 -0.15 0.12 0.00 -1.71 0.00 0.00 66.02 64.21 1hkt s SER 130 CO 0.00 0.14 0.37 -2.28 1.20 0.00 0.00 173.24 172.67 1hkt s HIS 131 N -0.28 -0.77 -1.36 3.44 2.46 -1.26 -3.67 115.29 113.84 1hkt s HIS 131 Ca 0.04 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.44 1hkt s HIS 131 Cb -0.04 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.43 1hkt s HIS 131 CO -0.00 -0.68 0.12 -0.35 -2.47 0.00 0.00 174.74 171.36 1hkt n PRO 132 N 5.36 0.18 -2.20 2.88 -0.04 -1.26 -2.06 135.00 137.87 1hkt n PRO 132 Ca -0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1hkt n PRO 132 Cb 0.50 -1.06 0.04 0.00 -0.04 0.00 0.00 33.50 32.94 1hkt n PRO 132 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1hkt n PHE 133 N 0.08 0.49 -3.33 0.54 3.01 -1.26 -5.01 117.46 111.97 1hkt n PHE 133 Ca 0.00 -1.37 -0.13 0.00 1.01 0.00 0.00 57.45 56.96 1hkt n PHE 133 Cb 0.03 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.38 1hkt n PHE 133 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1hkt s PHE 134 N -1.84 -0.67 0.00 1.38 5.36 -0.87 -4.42 117.98 116.91 1hkt s PHE 134 Ca 0.27 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1hkt s PHE 134 Cb 0.34 -0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1hkt s PHE 134 CO -0.10 -0.99 0.00 1.63 -1.46 0.00 0.00 175.22 174.30 1hkt n LYS 135 N 4.71 1.06 0.00 10.12 4.76 -1.26 -4.56 118.16 132.99 1hkt n LYS 135 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1hkt n LYS 135 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1hkt n LYS 135 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1hkt n ARG 136 N 0.00 0.00 -1.48 1.97 1.74 -1.26 -4.75 116.66 112.88 1hkt n ARG 136 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 1hkt n ARG 136 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1hkt n ARG 136 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1hkt n ASN 137 N 0.00 2.09 -2.72 0.55 5.03 -1.26 -4.76 115.26 114.19 1hkt n ASN 137 Ca 0.00 0.20 -0.07 0.00 0.87 0.00 0.00 54.58 55.58 1hkt n ASN 137 Cb 0.00 -1.31 0.07 0.00 -1.02 0.00 0.00 39.78 37.51 1hkt n ASN 137 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1hkt n SER 138 N 11.19 -2.24 -1.34 6.41 7.64 -1.26 -5.00 113.62 129.02 1hkt n SER 138 Ca 0.42 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1hkt n SER 138 Cb 0.29 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.93 1hkt n SER 138 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1hkt n PRO 139 N 1.42 0.51 0.00 1.43 -0.04 -1.26 -2.40 135.00 134.65 1hkt n PRO 139 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1hkt n PRO 139 Cb 0.67 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1hkt n PRO 139 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1hkt n PHE 140 N 1.20 0.00 0.80 0.54 -1.74 -1.26 -4.82 117.46 112.19 1hkt n PHE 140 Ca 0.00 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 56.97 1hkt n PHE 140 Cb 0.25 0.01 -0.07 0.00 1.52 0.00 0.00 39.48 41.19 1hkt n PHE 140 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1hkt n LEU 141 N 0.00 1.03 -0.09 5.98 4.77 -1.01 -4.60 117.00 123.08 1hkt n LEU 141 Ca 0.00 -0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 55.27 1hkt n LEU 141 Cb 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1hkt n LEU 141 CO 0.00 0.23 -0.51 0.18 -1.33 0.00 0.00 177.39 175.96 1hkt n LEU 142 N -1.09 1.85 0.00 2.23 4.77 -1.26 -4.15 117.00 119.35 1hkt n LEU 142 Ca 0.04 0.51 0.18 0.00 -0.03 0.00 0.00 56.01 56.71 1hkt n LEU 142 Cb 0.29 -0.91 0.35 0.00 -2.33 0.00 0.00 43.42 40.82 1hkt n LEU 142 CO 0.32 -0.05 1.17 -0.78 -1.33 0.00 0.00 177.39 176.72 1hkt h ASP 143 N -1.00 0.00 -0.99 -1.43 3.58 -1.89 0.45 116.42 115.13 1hkt h ASP 143 Ca -0.21 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.58 1hkt h ASP 143 Cb 0.97 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.74 1hkt h ASP 143 CO -0.13 0.00 0.86 0.00 -2.88 0.00 0.00 179.24 177.09 1hkt n GLN 144 N -3.04 2.65 -3.62 0.28 0.00 -1.26 -4.83 117.38 107.56 1hkt n GLN 144 Ca 0.14 -3.21 -0.27 0.00 0.00 0.00 0.00 57.00 53.66 1hkt n GLN 144 Cb 1.24 -2.26 -0.16 0.00 0.00 0.00 0.00 30.24 29.06 1hkt n GLN 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1hkt s ILE 145 N -4.70 0.06 0.06 -0.39 1.01 0.16 -5.10 121.20 112.29 1hkt s ILE 145 Ca 0.63 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 1hkt s ILE 145 Cb 0.49 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 42.17 1hkt s ILE 145 CO -0.02 -0.40 0.20 -0.54 0.00 0.00 0.00 174.94 174.19 1hkt s LYS 146 N 2.06 0.78 0.23 2.79 -0.14 -1.26 -5.05 119.74 119.15 1hkt s LYS 146 Ca 0.04 -0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 1hkt s LYS 146 Cb -0.16 0.32 -0.15 0.00 -1.68 0.00 0.00 37.83 36.16 1hkt s LYS 146 CO -0.16 -0.24 1.04 -2.13 -0.76 0.00 0.00 175.35 173.10 1hkt n ARG 147 N 0.31 1.15 0.00 1.68 0.63 -1.26 -4.76 116.66 114.41 1hkt n ARG 147 Ca -0.17 0.41 0.03 0.00 -0.92 0.00 0.00 57.85 57.20 1hkt n ARG 147 Cb 0.61 -1.81 0.17 0.00 0.45 0.00 0.00 32.46 31.88 1hkt n ARG 147 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75