#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agr n GLU 61 N 0.00 0.65 -3.64 0.00 0.28 -1.26 -5.03 120.64 111.64 1agr n GLU 61 Ca 0.00 -0.74 -0.05 0.00 -0.16 0.00 0.00 57.16 56.20 1agr n GLU 61 Cb 0.00 -1.07 -0.07 0.00 1.43 0.00 0.00 31.44 31.74 1agr n GLU 61 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1agr s SER 62 N -0.66 -0.34 0.39 -1.84 0.15 -1.26 -5.01 113.70 105.13 1agr s SER 62 Ca 0.06 0.62 0.11 0.00 0.70 0.00 0.00 55.95 57.45 1agr s SER 62 Cb 0.05 0.77 0.81 0.00 -1.71 0.00 0.00 66.02 65.94 1agr s SER 62 CO 0.10 -0.10 1.90 0.25 1.20 0.00 0.00 173.24 176.58 1agr h LEU 63 N 4.39 0.10 0.02 3.45 5.85 -1.96 -2.84 115.31 124.33 1agr h LEU 63 Ca -0.28 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1agr h LEU 63 Cb 1.18 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1agr h LEU 63 CO 0.15 0.34 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.86 1agr h GLU 64 N 0.10 -0.55 -0.06 1.25 5.08 -1.99 -1.49 114.58 116.92 1agr h GLU 64 Ca 0.02 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1agr h GLU 64 Cb 0.46 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1agr h GLU 64 CO 0.03 -0.37 -0.23 -0.91 -1.00 0.00 0.00 179.01 176.53 1agr h ASN 65 N -0.57 -0.70 0.17 1.42 4.21 -1.93 -0.66 115.58 117.53 1agr h ASN 65 Ca 0.04 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.67 1agr h ASN 65 Cb 0.64 0.30 -0.04 0.00 -1.12 0.00 0.00 38.32 38.10 1agr h ASN 65 CO -0.29 -0.29 -0.45 0.25 -1.29 0.00 0.00 177.43 175.36 1agr h LEU 66 N -0.33 -1.31 -0.80 1.61 5.85 -1.22 -1.56 115.31 117.55 1agr h LEU 66 Ca 0.08 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1agr h LEU 66 Cb 0.44 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1agr h LEU 66 CO -0.25 -0.52 -0.12 0.16 -0.34 0.00 0.00 178.44 177.37 1agr h ILE 67 N -0.72 0.25 0.00 4.05 3.07 -1.21 -0.44 117.51 122.51 1agr h ILE 67 Ca 0.01 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.41 1agr h ILE 67 Cb 0.72 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 1agr h ILE 67 CO -0.23 0.12 -0.01 0.78 -1.05 0.00 0.00 178.15 177.76 1agr h ASN 68 N 0.00 0.00 -3.51 2.16 2.35 -0.78 -3.39 115.58 112.41 1agr h ASN 68 Ca -0.00 -0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1agr h ASN 68 Cb 0.81 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.06 1agr h ASN 68 CO 0.02 0.00 0.11 -2.28 -1.65 0.00 0.00 177.43 173.63 1agr s HIS 69 N -3.20 3.27 0.40 1.19 2.46 -0.62 -4.96 115.29 113.84 1agr s HIS 69 Ca 0.07 0.74 0.20 0.00 0.47 0.00 0.00 55.06 56.55 1agr s HIS 69 Cb 0.06 -2.82 1.15 0.00 -0.13 0.00 0.00 32.58 30.84 1agr s HIS 69 CO 0.66 -0.33 1.74 1.05 -2.47 0.00 0.00 174.74 175.40 1agr h GLU 70 N 7.96 0.34 0.40 2.88 4.11 -1.82 0.26 114.58 128.69 1agr h GLU 70 Ca -0.27 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 1agr h GLU 70 Cb 1.13 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1agr h GLU 70 CO 0.76 0.22 -0.19 0.00 0.07 0.00 0.00 179.01 179.87 1agr h GLY 72 N -0.86 -1.18 -0.70 0.00 0.00 -1.00 0.41 103.07 99.75 1agr h GLY 72 Ca -0.05 0.61 0.37 0.00 0.00 0.00 0.00 47.33 48.26 1agr h GLY 72 CO 0.09 -0.32 0.84 -2.00 0.00 0.00 0.00 176.54 175.15 1agr h LEU 73 N -0.65 0.25 0.04 3.11 5.85 0.11 0.54 115.31 124.56 1agr h LEU 73 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1agr h LEU 73 Cb 0.63 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1agr h LEU 73 CO -0.20 -0.04 -0.02 0.00 -0.34 0.00 0.00 178.44 177.84 1agr h ALA 74 N 1.52 -0.05 -0.28 1.25 0.00 -0.54 -1.03 119.26 120.14 1agr h ALA 74 Ca 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1agr h ALA 74 Cb 2.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.04 1agr h ALA 74 CO -0.26 -0.39 0.13 0.00 0.00 0.00 0.00 179.25 178.73 1agr h ALA 75 N 0.63 0.37 -0.26 0.00 0.00 0.17 -2.21 119.26 117.95 1agr h ALA 75 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1agr h ALA 75 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1agr h ALA 75 CO 0.01 -0.06 0.12 0.35 0.00 0.00 0.00 179.25 179.66 1agr h PHE 76 N 0.32 0.22 -0.08 0.00 3.57 -0.75 0.08 116.94 120.30 1agr h PHE 76 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1agr h PHE 76 Cb 0.14 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1agr h PHE 76 CO -0.02 0.12 0.00 -0.22 -2.23 0.00 0.00 178.31 175.96 1agr h LYS 77 N 0.26 0.11 -0.31 1.11 3.64 -1.07 0.77 116.57 121.08 1agr h LYS 77 Ca 0.11 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1agr h LYS 77 Cb 0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1agr h LYS 77 CO -0.08 0.12 -0.05 0.00 -2.27 0.00 0.00 179.45 177.17 1agr h ALA 78 N 1.90 0.43 0.40 5.00 0.00 -0.40 -2.46 119.26 124.12 1agr h ALA 78 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1agr h ALA 78 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1agr h ALA 78 CO 0.00 0.24 -0.19 0.35 0.00 0.00 0.00 179.25 179.64 1agr h PHE 79 N 0.37 -0.50 -0.44 0.00 3.57 -0.05 -3.03 116.94 116.85 1agr h PHE 79 Ca 0.08 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.70 1agr h PHE 79 Cb 0.53 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1agr h PHE 79 CO 0.05 -0.24 0.40 -0.07 -2.23 0.00 0.00 178.31 176.22 1agr h LEU 80 N -0.68 0.00 -0.67 0.59 3.38 -0.87 0.13 115.31 117.19 1agr h LEU 80 Ca -0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1agr h LEU 80 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1agr h LEU 80 CO 0.09 0.00 -0.45 0.50 0.09 0.00 0.00 178.44 178.67 1agr h LYS 81 N 0.00 0.50 -0.12 1.13 3.64 -1.32 0.16 116.57 120.56 1agr h LYS 81 Ca 0.21 -0.27 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 1agr h LYS 81 Cb 1.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1agr h LYS 81 CO -0.00 0.85 -0.72 0.66 -2.27 0.00 0.00 179.45 177.97 1agr h SER 82 N 0.40 0.65 -0.08 4.20 4.64 -0.74 -2.76 113.55 119.86 1agr h SER 82 Ca 0.03 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1agr h SER 82 Cb 0.95 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1agr h SER 82 CO 0.08 1.17 0.00 -0.62 -0.87 0.00 0.00 176.83 176.59 1agr n GLU 83 N -3.89 1.25 -3.17 4.77 1.02 -0.73 -4.92 120.64 114.97 1agr n GLU 83 Ca -0.05 -0.38 -0.22 0.00 -0.02 0.00 0.00 57.16 56.49 1agr n GLU 83 Cb 0.70 -1.23 0.01 0.00 -0.02 0.00 0.00 31.44 30.90 1agr n GLU 83 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1agr n TYR 84 N -0.32 -1.80 -1.82 -0.32 4.02 -0.35 -4.88 117.16 111.68 1agr n TYR 84 Ca 0.10 0.44 0.06 0.00 -0.01 0.00 0.00 57.90 58.49 1agr n TYR 84 Cb 0.13 -3.38 0.13 0.00 -0.02 0.00 0.00 39.34 36.20 1agr n TYR 84 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1agr n SER 85 N -2.31 1.47 0.26 7.72 3.41 0.41 -4.84 113.62 119.74 1agr n SER 85 Ca -0.06 -3.15 0.10 0.00 -0.26 0.00 0.00 58.87 55.50 1agr n SER 85 Cb 0.57 -0.43 0.67 0.00 -0.26 0.00 0.00 64.21 64.76 1agr n SER 85 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1agr h GLU 86 N 0.82 0.00 0.00 4.33 9.09 -1.85 -2.20 114.58 124.77 1agr h GLU 86 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1agr h GLU 86 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1agr h GLU 86 CO 0.03 0.09 0.10 -0.85 0.05 0.00 0.00 179.01 178.42 1agr n GLU 87 N -4.13 0.09 -0.03 1.06 0.00 -1.26 -1.14 120.64 115.24 1agr n GLU 87 Ca -0.03 0.57 -0.14 0.00 0.00 0.00 0.00 57.16 57.56 1agr n GLU 87 Cb 0.17 -1.91 -0.11 0.00 0.00 0.00 0.00 31.44 29.59 1agr n GLU 87 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1agr h ASN 88 N 0.00 0.16 0.37 -1.84 2.35 -1.74 -2.51 115.58 112.37 1agr h ASN 88 Ca 0.00 -0.74 -0.21 0.00 -0.55 0.00 0.00 56.30 54.80 1agr h ASN 88 Cb 0.19 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1agr h ASN 88 CO 0.00 0.88 -0.88 -0.29 -1.65 0.00 0.00 177.43 175.49 1agr h ILE 89 N -0.55 1.41 -0.79 2.81 6.09 -1.32 -1.96 117.51 123.21 1agr h ILE 89 Ca -0.02 -2.41 0.07 0.00 -1.37 0.00 0.00 64.86 61.13 1agr h ILE 89 Cb 0.89 2.35 -0.06 0.00 0.47 0.00 0.00 36.82 40.48 1agr h ILE 89 CO 0.03 0.72 0.47 0.44 -3.07 0.00 0.00 178.15 176.74 1agr h ASP 90 N 0.22 0.71 -0.16 2.19 3.32 -1.35 0.27 116.42 121.63 1agr h ASP 90 Ca -0.06 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1agr h ASP 90 Cb 1.50 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.94 1agr h ASP 90 CO 0.15 0.45 -0.72 0.15 -1.72 0.00 0.00 179.24 177.55 1agr h PHE 91 N 0.84 1.05 -0.47 4.55 3.04 -1.38 -0.51 116.94 124.06 1agr h PHE 91 Ca 0.36 -0.44 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 1agr h PHE 91 Cb 0.22 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1agr h PHE 91 CO -0.05 1.27 0.08 2.35 -2.02 0.00 0.00 178.31 179.93 1agr h TRP 92 N 0.56 0.83 0.59 0.41 7.01 -0.94 0.28 115.95 124.69 1agr h TRP 92 Ca -0.03 -0.11 -0.03 0.00 2.11 0.00 0.00 58.89 60.82 1agr h TRP 92 Cb 1.33 -0.23 0.01 0.00 -2.10 0.00 0.00 29.16 28.17 1agr h TRP 92 CO 0.08 0.77 -0.28 0.82 -2.79 0.00 0.00 178.44 177.03 1agr h ILE 93 N 0.65 0.41 0.00 2.65 2.04 -1.00 -0.57 117.51 121.68 1agr h ILE 93 Ca 0.14 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1agr h ILE 93 Cb 0.39 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1agr h ILE 93 CO 0.01 0.01 0.12 -0.24 0.00 0.00 0.00 178.15 178.05 1agr n SER 94 N -5.42 0.28 -0.00 1.72 2.88 -0.20 0.06 113.62 112.93 1agr n SER 94 Ca -0.13 0.56 -0.09 0.00 -1.33 0.00 0.00 58.87 57.88 1agr n SER 94 Cb 0.33 -0.57 -0.14 0.00 -0.75 0.00 0.00 64.21 63.08 1agr n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1agr h GLU 96 N 0.01 0.61 0.20 0.00 4.39 0.99 -3.15 114.58 117.62 1agr h GLU 96 Ca -0.25 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.14 1agr h GLU 96 Cb 1.98 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1agr h GLU 96 CO 0.09 0.90 -0.33 0.93 -1.16 0.00 0.00 179.01 179.43 1agr h GLU 97 N 0.34 -0.54 -1.10 2.33 5.08 -1.38 -1.72 114.58 117.58 1agr h GLU 97 Ca 0.05 0.04 0.37 0.00 -1.00 0.00 0.00 59.36 58.82 1agr h GLU 97 Cb 0.76 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.99 1agr h GLU 97 CO 0.06 -0.36 0.66 -0.92 -1.00 0.00 0.00 179.01 177.44 1agr h TYR 98 N -0.57 0.77 0.00 4.33 3.20 -1.64 0.46 116.97 123.52 1agr h TYR 98 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1agr h TYR 98 Cb 0.52 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1agr h TYR 98 CO -0.30 -0.23 0.00 0.87 -1.64 0.00 0.00 178.16 176.87 1agr h LYS 99 N 0.20 0.00 -0.68 1.82 1.57 -1.26 -2.26 116.57 115.96 1agr h LYS 99 Ca 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.55 1agr h LYS 99 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1agr h LYS 99 CO -0.56 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 179.95 1agr n LYS 100 N -3.06 2.93 -2.53 3.15 5.02 0.16 -4.97 118.16 118.87 1agr n LYS 100 Ca -0.02 -2.66 -0.40 0.00 -2.02 0.00 0.00 58.31 53.21 1agr n LYS 100 Cb 0.10 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.46 1agr n LYS 100 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1agr s ILE 101 N -1.17 3.67 -0.04 -0.18 1.01 -0.85 -4.97 121.20 118.67 1agr s ILE 101 Ca 0.47 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.76 1agr s ILE 101 Cb 0.26 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1agr s ILE 101 CO 0.30 0.36 -0.00 0.29 0.00 0.00 0.00 174.94 175.88 1agr n LYS 102 N 1.56 2.46 -3.37 2.79 5.02 -1.26 -4.93 118.16 120.43 1agr n LYS 102 Ca -0.00 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1agr n LYS 102 Cb 0.45 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.34 1agr n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1agr s SER 103 N -3.76 6.42 0.05 4.39 0.15 -1.26 -5.01 113.70 114.68 1agr s SER 103 Ca -0.03 0.66 -0.20 0.00 0.70 0.00 0.00 55.95 57.08 1agr s SER 103 Cb 0.01 -2.12 -0.13 0.00 -1.71 0.00 0.00 66.02 62.08 1agr s SER 103 CO 0.15 -0.19 1.40 1.55 1.20 0.00 0.00 173.24 177.35 1agr h PRO 104 N 1.62 0.36 0.00 5.44 0.13 -2.00 -2.39 132.00 135.16 1agr h PRO 104 Ca -0.48 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1agr h PRO 104 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1agr h PRO 104 CO 0.66 0.68 0.00 -1.13 -0.23 0.00 0.00 178.00 177.97 1agr n SER 105 N -4.60 0.00 -0.01 1.44 3.41 -1.26 -1.41 113.62 111.19 1agr n SER 105 Ca -0.05 -0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 58.03 1agr n SER 105 Cb 0.31 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1agr n SER 105 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1agr n LYS 106 N -0.54 2.75 -0.07 4.33 4.81 -0.97 -4.64 118.16 123.82 1agr n LYS 106 Ca 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1agr n LYS 106 Cb 0.00 -1.03 -0.13 0.00 0.02 0.00 0.00 35.03 33.89 1agr n LYS 106 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1agr h LEU 107 N 0.00 0.01 -2.12 3.14 5.85 -0.75 -3.26 115.31 118.19 1agr h LEU 107 Ca -0.03 -1.00 -0.01 0.00 0.84 0.00 0.00 57.88 57.68 1agr h LEU 107 Cb 1.06 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1agr h LEU 107 CO -0.00 1.01 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.77 1agr h SER 108 N -0.99 0.00 0.54 1.25 0.87 -1.77 -0.11 113.55 113.35 1agr h SER 108 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1agr h SER 108 Cb 1.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1agr h SER 108 CO 0.00 0.06 -0.26 -0.65 -0.53 0.00 0.00 176.83 175.46 1agr h PRO 109 N 0.00 -0.69 0.00 2.24 0.11 -1.78 -2.11 132.00 129.77 1agr h PRO 109 Ca -0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1agr h PRO 109 Cb 0.13 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1agr h PRO 109 CO 0.01 -0.39 0.00 0.87 -0.21 0.00 0.00 178.00 178.27 1agr h LYS 110 N -0.92 0.00 0.00 1.05 1.57 -1.55 -1.30 116.57 115.42 1agr h LYS 110 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1agr h LYS 110 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1agr h LYS 110 CO 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1agr n ALA 111 N -2.00 -0.30 0.25 3.86 0.00 -0.07 -2.39 120.51 119.86 1agr n ALA 111 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1agr n ALA 111 Cb 0.19 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.45 1agr n ALA 111 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1agr h LYS 112 N 0.00 0.00 0.00 0.00 1.57 -1.16 -2.50 116.57 114.48 1agr h LYS 112 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1agr h LYS 112 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1agr h LYS 112 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.05 1agr n LYS 113 N -4.06 0.00 -0.29 3.15 4.81 -0.51 -2.65 118.16 118.62 1agr n LYS 113 Ca -0.01 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.47 1agr n LYS 113 Cb 0.16 -0.87 0.10 0.00 0.02 0.00 0.00 35.03 34.44 1agr n LYS 113 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1agr n ILE 114 N -0.51 -0.34 0.09 3.15 5.41 -1.00 0.13 119.36 126.28 1agr n ILE 114 Ca 0.00 1.81 -0.12 0.00 1.00 0.00 0.00 62.75 65.44 1agr n ILE 114 Cb 0.00 -2.49 -0.05 0.00 -0.71 0.00 0.00 39.64 36.39 1agr n ILE 114 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1agr h TYR 115 N 0.00 -0.72 -0.22 1.39 5.03 -1.59 0.10 116.97 120.97 1agr h TYR 115 Ca 0.37 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.76 1agr h TYR 115 Cb 0.56 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 1agr h TYR 115 CO -0.62 -0.36 0.25 -0.91 -1.32 0.00 0.00 178.16 175.20 1agr h ASN 116 N -0.44 0.00 0.00 -2.11 4.21 0.13 0.22 115.58 117.59 1agr h ASN 116 Ca 0.05 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.22 1agr h ASN 116 Cb 0.50 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.64 1agr h ASN 116 CO -0.19 0.00 -2.26 1.21 -1.29 0.00 0.00 177.43 174.90 1agr n GLU 117 N -3.74 0.55 -0.00 0.81 2.13 -0.99 -4.22 120.64 115.18 1agr n GLU 117 Ca 0.03 0.13 0.04 0.00 0.66 0.00 0.00 57.16 58.02 1agr n GLU 117 Cb 0.38 -1.43 -0.05 0.00 0.27 0.00 0.00 31.44 30.60 1agr n GLU 117 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1agr n PHE 118 N -3.20 0.00 0.00 4.31 3.72 0.32 -2.19 117.46 120.42 1agr n PHE 118 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1agr n PHE 118 Cb 0.91 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 1agr n PHE 118 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1agr n ILE 119 N -1.26 0.00 -1.75 4.37 2.08 0.30 -1.16 119.36 121.94 1agr n ILE 119 Ca 0.02 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.91 1agr n ILE 119 Cb 0.15 -0.70 -0.00 0.00 -0.75 0.00 0.00 39.64 38.34 1agr n ILE 119 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1agr n SER 120 N -1.78 3.47 0.01 4.38 2.88 0.52 -4.83 113.62 118.26 1agr n SER 120 Ca 0.00 1.22 0.23 0.00 -1.33 0.00 0.00 58.87 58.99 1agr n SER 120 Cb 0.39 -1.58 0.72 0.00 -0.75 0.00 0.00 64.21 62.99 1agr n SER 120 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1agr h VAL 121 N 2.83 0.43 -0.48 2.46 2.07 -1.95 0.61 116.25 122.22 1agr h VAL 121 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1agr h VAL 121 Cb 1.26 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1agr h VAL 121 CO 0.64 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.23 1agr n GLN 122 N -3.89 2.43 -1.69 1.57 6.02 -1.26 -4.95 117.38 115.60 1agr n GLN 122 Ca 0.11 -2.18 -0.42 0.00 -0.01 0.00 0.00 57.00 54.49 1agr n GLN 122 Cb 0.74 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.47 1agr n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1agr s ALA 123 N -1.36 2.60 0.60 -1.58 0.00 0.21 -4.83 121.76 117.40 1agr s ALA 123 Ca 0.40 0.54 0.30 0.00 0.00 0.00 0.00 51.96 53.20 1agr s ALA 123 Cb 0.22 -4.10 1.09 0.00 0.00 0.00 0.00 23.12 20.33 1agr s ALA 123 CO 0.30 -3.00 1.41 1.15 0.00 0.00 0.00 175.76 175.61 1agr h THR 124 N 7.15 0.05 -0.28 0.00 2.02 -1.79 1.14 112.91 121.19 1agr h THR 124 Ca -0.37 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.59 1agr h THR 124 Cb 1.23 0.08 -0.22 0.00 -1.74 0.00 0.00 68.15 67.49 1agr h THR 124 CO 1.01 0.00 -0.73 0.29 0.37 0.00 0.00 175.52 176.46 1agr n LYS 125 N -3.39 2.05 -1.64 6.66 5.02 -0.93 -5.07 118.16 120.86 1agr n LYS 125 Ca 0.24 -3.43 -0.56 0.00 -2.02 0.00 0.00 58.31 52.54 1agr n LYS 125 Cb 1.49 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 34.81 1agr n LYS 125 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1agr n GLU 126 N -0.74 1.00 -2.37 1.97 2.13 0.39 -4.55 120.64 118.48 1agr n GLU 126 Ca 0.24 0.36 -0.30 0.00 0.66 0.00 0.00 57.16 58.13 1agr n GLU 126 Cb 0.85 -2.01 -0.00 0.00 0.27 0.00 0.00 31.44 30.55 1agr n GLU 126 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1agr s VAL 127 N 1.82 4.78 -0.61 6.31 -7.23 -0.31 -4.99 120.40 120.17 1agr s VAL 127 Ca 0.92 0.61 -0.23 0.00 -1.81 0.00 0.00 61.98 61.47 1agr s VAL 127 Cb -1.05 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 32.11 1agr s VAL 127 CO 0.57 -0.89 0.92 0.21 -0.31 0.00 0.00 175.10 175.60 1agr s ASN 128 N -3.88 6.23 -0.00 4.85 3.84 -1.26 -4.92 114.94 119.79 1agr s ASN 128 Ca 0.52 -0.78 0.01 0.00 0.21 0.00 0.00 52.86 52.81 1agr s ASN 128 Cb -0.11 -2.41 -0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1agr s ASN 128 CO 0.45 -1.32 -0.03 -0.76 -2.79 0.00 0.00 177.10 172.65 1agr s LEU 129 N 3.88 2.01 0.18 3.21 1.43 -1.26 -4.83 118.68 123.29 1agr s LEU 129 Ca 0.24 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 52.98 1agr s LEU 129 Cb -0.16 -0.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.84 1agr s LEU 129 CO 0.13 0.03 1.38 1.51 0.23 0.00 0.00 176.35 179.62 1agr s ASP 130 N -0.08 6.81 0.11 2.29 -4.77 -1.26 -4.74 116.67 115.03 1agr s ASP 130 Ca 0.01 2.44 0.02 0.00 -3.30 0.00 0.00 52.55 51.72 1agr s ASP 130 Cb -0.01 -2.60 0.31 0.00 -1.09 0.00 0.00 42.92 39.52 1agr s ASP 130 CO -0.00 -0.62 0.54 -0.24 0.70 0.00 0.00 175.17 175.55 1agr n SER 131 N 3.09 -0.00 -0.24 2.11 2.88 -1.26 0.79 113.62 120.99 1agr n SER 131 Ca 0.08 0.58 -0.07 0.00 -1.33 0.00 0.00 58.87 58.13 1agr n SER 131 Cb 0.42 -0.23 0.04 0.00 -0.75 0.00 0.00 64.21 63.69 1agr n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1agr h THR 133 N 0.96 1.28 -0.31 0.00 2.02 0.03 -1.94 112.91 114.96 1agr h THR 133 Ca 0.21 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1agr h THR 133 Cb 0.30 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1agr h THR 133 CO -0.01 0.42 -0.00 -0.09 0.37 0.00 0.00 175.52 176.21 1agr h ARG 134 N 0.53 0.47 0.02 6.66 2.43 -1.15 -1.48 114.38 121.86 1agr h ARG 134 Ca 0.08 -0.09 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 1agr h ARG 134 Cb 0.70 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1agr h ARG 134 CO 0.05 0.50 -1.13 0.93 -1.51 0.00 0.00 179.97 178.81 1agr h GLU 135 N 0.46 0.04 0.43 0.20 5.08 -0.80 -1.58 114.58 118.40 1agr h GLU 135 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1agr h GLU 135 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1agr h GLU 135 CO 0.01 0.96 -0.20 1.49 -1.00 0.00 0.00 179.01 180.27 1agr h GLU 136 N 0.01 -0.55 -0.99 2.33 4.81 -1.06 -1.95 114.58 117.18 1agr h GLU 136 Ca -0.07 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.38 1agr h GLU 136 Cb 1.83 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 31.23 1agr h GLU 136 CO 0.13 -0.33 0.59 1.15 -0.73 0.00 0.00 179.01 179.82 1agr h THR 137 N -0.64 0.73 -0.50 0.32 2.02 -1.26 0.36 112.91 113.94 1agr h THR 137 Ca -0.06 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1agr h THR 137 Cb 0.47 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1agr h THR 137 CO 0.10 0.14 0.32 0.28 0.37 0.00 0.00 175.52 176.73 1agr h SER 138 N 0.78 0.58 -0.11 4.18 0.02 -0.95 -2.48 113.55 115.57 1agr h SER 138 Ca 0.56 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.36 1agr h SER 138 Cb 0.82 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1agr h SER 138 CO -0.37 0.43 -0.42 0.03 -1.14 0.00 0.00 176.83 175.36 1agr h ARG 139 N 0.68 0.48 0.00 3.45 3.08 0.35 -3.12 114.38 119.31 1agr h ARG 139 Ca 0.18 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1agr h ARG 139 Cb -0.06 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1agr h ARG 139 CO -0.04 1.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.95 1agr n ASN 140 N -4.30 0.00 0.03 7.04 4.13 0.35 -2.13 115.26 120.38 1agr n ASN 140 Ca -0.08 -0.20 0.11 0.00 1.68 0.00 0.00 54.58 56.09 1agr n ASN 140 Cb 0.55 -0.10 -0.10 0.00 -1.54 0.00 0.00 39.78 38.60 1agr n ASN 140 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1agr n MET 141 N -1.10 0.64 0.09 3.52 2.81 -0.97 -3.11 117.12 119.00 1agr n MET 141 Ca 0.08 -0.06 0.20 0.00 -1.81 0.00 0.00 57.70 56.11 1agr n MET 141 Cb 0.06 -1.65 0.74 0.00 -0.71 0.00 0.00 33.22 31.66 1agr n MET 141 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1agr h LEU 142 N 0.00 0.00 -5.00 4.03 3.38 -1.52 -3.25 115.31 112.95 1agr h LEU 142 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1agr h LEU 142 Cb 1.04 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1agr h LEU 142 CO 0.00 0.00 -0.45 1.21 0.09 0.00 0.00 178.44 179.29 1agr n GLU 143 N -3.69 0.74 -1.32 1.13 4.07 -1.26 -5.15 120.64 115.16 1agr n GLU 143 Ca 0.07 -1.66 -0.43 0.00 -0.06 0.00 0.00 57.16 55.09 1agr n GLU 143 Cb 0.63 -1.36 -0.01 0.00 -0.06 0.00 0.00 31.44 30.64 1agr n GLU 143 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1agr n PRO 144 N 1.59 0.01 -1.70 5.31 -0.02 -1.18 -5.02 135.00 134.00 1agr n PRO 144 Ca 0.08 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1agr n PRO 144 Cb 0.64 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1agr n PRO 144 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1agr n THR 145 N -0.82 0.00 0.81 3.45 -2.24 -1.26 -4.98 114.28 109.24 1agr n THR 145 Ca 0.13 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1agr n THR 145 Cb 0.37 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.74 1agr n THR 145 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1agr n ILE 146 N 0.00 0.62 -0.02 2.28 -5.35 -1.26 -2.91 119.36 112.72 1agr n ILE 146 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1agr n ILE 146 Cb 0.00 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 1agr n ILE 146 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1agr n THR 147 N 0.29 0.00 -0.23 7.28 -2.24 -1.26 -4.89 114.28 113.23 1agr n THR 147 Ca 0.10 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1agr n THR 147 Cb 0.37 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 1agr n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1agr n PHE 149 N -5.01 2.78 0.23 0.00 3.72 -1.26 -4.64 117.46 113.29 1agr n PHE 149 Ca -0.01 -2.67 -0.14 0.00 -0.05 0.00 0.00 57.45 54.58 1agr n PHE 149 Cb 0.27 -1.29 -0.08 0.00 -0.94 0.00 0.00 39.48 37.44 1agr n PHE 149 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1agr h ASP 150 N 1.78 -0.51 -0.37 4.37 5.19 -1.30 -2.34 116.42 123.23 1agr h ASP 150 Ca 0.53 -0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.69 1agr h ASP 150 Cb 0.99 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1agr h ASP 150 CO 1.34 -0.17 -0.39 -0.08 -3.12 0.00 0.00 179.24 176.83 1agr h GLU 151 N -0.90 0.93 0.34 3.56 4.57 -1.82 -2.48 114.58 118.79 1agr h GLU 151 Ca -0.06 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1agr h GLU 151 Cb 0.57 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1agr h GLU 151 CO 0.10 1.15 -0.43 0.00 -1.18 0.00 0.00 179.01 178.65 1agr h ALA 152 N 0.79 -1.05 0.00 2.92 0.00 -1.88 0.23 119.26 120.27 1agr h ALA 152 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1agr h ALA 152 Cb 0.98 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1agr h ALA 152 CO 0.10 -1.10 0.00 0.37 0.00 0.00 0.00 179.25 178.62 1agr h GLN 153 N -0.79 0.00 -0.02 0.00 4.15 -1.49 0.11 115.11 117.06 1agr h GLN 153 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1agr h GLN 153 Cb 0.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1agr h GLN 153 CO -0.10 0.00 -0.06 -0.22 -1.93 0.00 0.00 178.83 176.52 1agr h LYS 154 N 0.00 0.07 0.42 1.69 3.64 -0.79 -2.30 116.57 119.30 1agr h LYS 154 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1agr h LYS 154 Cb 0.19 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1agr h LYS 154 CO 0.00 0.69 -0.24 0.87 -2.27 0.00 0.00 179.45 178.49 1agr h LYS 155 N -0.54 -0.60 -0.25 1.90 1.79 0.93 -1.96 116.57 117.84 1agr h LYS 155 Ca -0.00 0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 1agr h LYS 155 Cb 0.70 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1agr h LYS 155 CO 0.01 -0.40 0.19 0.82 -1.08 0.00 0.00 179.45 179.00 1agr h ILE 156 N -0.62 0.80 -0.43 1.86 5.03 -0.99 0.48 117.51 123.64 1agr h ILE 156 Ca -0.06 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.62 1agr h ILE 156 Cb 0.49 0.86 -0.02 0.00 -3.03 0.00 0.00 36.82 35.13 1agr h ILE 156 CO 0.07 0.00 0.03 0.15 -0.68 0.00 0.00 178.15 177.72 1agr h PHE 157 N 0.00 0.80 -0.61 1.37 3.57 -1.25 -0.02 116.94 120.79 1agr h PHE 157 Ca 0.12 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1agr h PHE 157 Cb 0.50 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1agr h PHE 157 CO 0.00 0.78 0.22 -0.97 -2.23 0.00 0.00 178.31 176.11 1agr h ASN 158 N 0.58 0.87 -0.16 0.41 -1.24 0.58 -1.25 115.58 115.37 1agr h ASN 158 Ca 0.13 -0.19 0.05 0.00 0.71 0.00 0.00 56.30 56.99 1agr h ASN 158 Cb 0.44 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 39.21 1agr h ASN 158 CO 0.02 0.82 -0.15 0.25 -1.29 0.00 0.00 177.43 177.08 1agr h LEU 159 N 0.87 -0.48 -1.58 0.34 5.85 -0.44 -2.02 115.31 117.84 1agr h LEU 159 Ca 0.20 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1agr h LEU 159 Cb 0.24 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1agr h LEU 159 CO -0.01 -0.20 -0.15 0.24 -0.34 0.00 0.00 178.44 177.98 1agr h MET 160 N -0.17 0.08 0.21 1.25 2.86 -0.43 -2.32 114.93 116.42 1agr h MET 160 Ca 0.11 -0.02 -0.30 0.00 -2.06 0.00 0.00 59.70 57.43 1agr h MET 160 Cb 0.33 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 32.01 1agr h MET 160 CO -0.27 0.23 -1.33 1.49 1.06 0.00 0.00 176.91 178.09 1agr h GLU 161 N 0.08 0.45 -0.03 1.72 4.81 -0.87 0.52 114.58 121.26 1agr h GLU 161 Ca 0.02 -0.77 -0.17 0.00 -0.13 0.00 0.00 59.36 58.30 1agr h GLU 161 Cb 0.31 0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.99 1agr h GLU 161 CO 0.02 1.37 -0.66 0.87 -0.73 0.00 0.00 179.01 179.88 1agr h LYS 162 N -0.02 0.50 0.00 1.92 1.57 -1.36 -3.30 116.57 115.88 1agr h LYS 162 Ca -0.24 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 1agr h LYS 162 Cb 2.01 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.45 1agr h LYS 162 CO 0.22 1.14 0.00 -3.47 -0.57 0.00 0.00 179.45 176.77 1agr n ASP 163 N -4.15 0.00 -0.34 0.86 2.03 -0.88 -4.50 116.55 109.57 1agr n ASP 163 Ca -0.10 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.16 1agr n ASP 163 Cb 0.70 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.08 1agr n ASP 163 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1agr n SER 164 N 0.00 -0.70 -0.13 1.67 7.64 -1.22 -2.46 113.62 118.42 1agr n SER 164 Ca 0.00 1.48 -0.05 0.00 1.01 0.00 0.00 58.87 61.31 1agr n SER 164 Cb 0.00 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1agr n SER 164 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1agr h TYR 165 N 0.00 -0.58 -0.58 1.43 3.20 -0.11 0.97 116.97 121.30 1agr h TYR 165 Ca 0.22 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.15 1agr h TYR 165 Cb 0.43 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1agr h TYR 165 CO -0.80 -0.31 0.38 0.00 -1.64 0.00 0.00 178.16 175.80 1agr h ARG 166 N -0.14 0.74 -0.03 1.82 2.47 -1.56 0.08 114.38 117.76 1agr h ARG 166 Ca 0.20 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.72 1agr h ARG 166 Cb 0.46 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1agr h ARG 166 CO -0.52 0.49 -0.69 -0.09 0.56 0.00 0.00 179.97 179.73 1agr h ARG 167 N 0.77 0.14 -0.22 0.04 2.43 -1.10 -3.25 114.38 113.19 1agr h ARG 167 Ca 0.22 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1agr h ARG 167 Cb -0.06 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1agr h ARG 167 CO -0.05 0.77 0.08 0.35 -1.51 0.00 0.00 179.97 179.62 1agr h PHE 168 N 0.10 0.34 0.00 2.20 3.57 0.11 -2.95 116.94 120.31 1agr h PHE 168 Ca -0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1agr h PHE 168 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1agr h PHE 168 CO 0.02 0.39 0.00 1.28 -2.23 0.00 0.00 178.31 177.76 1agr n LEU 169 N -4.80 0.00 -0.00 0.59 4.77 -0.87 -1.03 117.00 115.66 1agr n LEU 169 Ca -0.03 0.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1agr n LEU 169 Cb 0.13 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1agr n LEU 169 CO 0.35 -0.05 -0.21 0.29 -1.33 0.00 0.00 177.39 176.44 1agr n LYS 170 N -1.07 3.57 -1.69 3.23 5.02 -1.14 -4.73 118.16 121.35 1agr n LYS 170 Ca 0.06 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1agr n LYS 170 Cb 0.04 -0.85 0.18 0.00 -0.02 0.00 0.00 35.03 34.38 1agr n LYS 170 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1agr s SER 171 N -1.81 2.76 0.13 4.39 1.04 -0.20 -4.86 113.70 115.15 1agr s SER 171 Ca 0.00 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 1agr s SER 171 Cb 0.03 -0.65 -0.10 0.00 0.10 0.00 0.00 66.02 65.39 1agr s SER 171 CO 0.18 -2.97 1.30 0.08 0.98 0.00 0.00 173.24 172.80 1agr h ARG 172 N -1.80 0.41 -1.17 4.02 0.11 -1.94 -1.40 114.38 112.61 1agr h ARG 172 Ca -0.45 -0.44 0.45 0.00 0.10 0.00 0.00 59.98 59.63 1agr h ARG 172 Cb 1.27 0.13 -0.16 0.00 1.11 0.00 0.00 29.97 32.31 1agr h ARG 172 CO 0.42 1.11 0.70 1.19 0.10 0.00 0.00 179.97 183.49 1agr n PHE 173 N -3.74 0.95 -0.11 4.08 3.01 -1.26 -1.07 117.46 119.31 1agr n PHE 173 Ca -0.07 0.95 -0.22 0.00 1.01 0.00 0.00 57.45 59.13 1agr n PHE 173 Cb 0.84 -1.37 -0.09 0.00 -0.01 0.00 0.00 39.48 38.85 1agr n PHE 173 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1agr n TYR 174 N -4.99 0.46 0.78 1.38 9.36 -1.23 -4.91 117.16 118.01 1agr n TYR 174 Ca 0.39 0.20 0.06 0.00 3.32 0.00 0.00 57.90 61.87 1agr n TYR 174 Cb 1.41 -0.95 0.37 0.00 -0.63 0.00 0.00 39.34 39.54 1agr n TYR 174 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36