#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgc s ALA 17 N 0.00 4.29 0.33 1.51 0.00 -1.26 -3.27 121.76 123.37 1sgc s ALA 17 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 1sgc s ALA 17 Cb 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 23.12 22.46 1sgc s ALA 17 CO 0.00 -0.32 1.27 0.41 0.00 0.00 0.00 175.76 177.12 1sgc n GLY 18 N -1.61 0.52 2.89 0.00 0.00 0.13 -2.51 105.19 104.62 1sgc n GLY 18 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1sgc n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgc n GLY 19 N 0.89 0.86 3.93 -0.02 0.00 0.87 -0.84 105.19 110.88 1sgc n GLY 19 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1sgc n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sgc s GLU 29 N -0.08 3.04 0.33 1.61 2.02 -1.04 -2.36 118.70 122.22 1sgc s GLU 29 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 54.97 54.46 1sgc s GLU 29 Cb 0.00 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.70 1sgc s GLU 29 CO 0.00 -0.43 1.26 0.00 0.02 0.00 0.00 175.26 176.11 1sgc s ALA 30 N -2.74 3.45 -0.02 5.21 0.00 -1.26 -0.07 121.76 126.32 1sgc s ALA 30 Ca 0.50 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.67 1sgc s ALA 30 Cb -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1sgc s ALA 30 CO 0.41 -0.55 -0.09 0.96 0.00 0.00 0.00 175.76 176.48 1sgc s ILE 31 N -1.16 0.80 0.22 0.00 -4.36 -0.66 -4.80 121.20 111.24 1sgc s ILE 31 Ca 0.49 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.52 1sgc s ILE 31 Cb -0.38 -0.70 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 1sgc s ILE 31 CO 0.50 0.25 0.04 0.42 0.24 0.00 0.00 174.94 176.39 1sgc s THR 32 N 0.12 0.71 -0.17 8.37 -4.23 -1.26 -1.66 115.64 117.52 1sgc s THR 32 Ca -0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1sgc s THR 32 Cb -0.08 -2.40 0.09 0.00 1.34 0.00 0.00 72.50 71.45 1sgc s THR 32 CO 0.00 -0.24 0.28 0.28 -0.54 0.00 0.00 174.62 174.41 1sgc s THR 33 N -3.64 -0.44 0.00 3.99 -1.32 -0.02 -1.05 115.64 113.16 1sgc s THR 33 Ca 0.31 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 1sgc s THR 33 Cb 0.07 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1sgc s THR 33 CO 0.09 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1sgc n GLY 34 N 5.35 3.36 0.14 6.08 0.00 -1.26 0.50 105.19 119.36 1sgc n GLY 34 Ca -0.06 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 45.98 1sgc n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgc n GLY 39 N 0.00 -0.68 3.85 -0.02 0.00 -1.26 -4.91 105.19 102.18 1sgc n GLY 39 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1sgc n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgc s SER 40 N -1.56 6.74 -0.03 1.61 0.01 0.18 -5.09 113.70 115.56 1sgc s SER 40 Ca 0.28 0.92 0.03 0.00 1.31 0.00 0.00 55.95 58.49 1sgc s SER 40 Cb 0.14 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1sgc s SER 40 CO 0.22 0.18 -0.10 -0.60 0.41 0.00 0.00 173.24 173.35 1sgc s ARG 41 N -1.76 1.10 0.34 12.44 3.52 -1.26 -0.84 118.95 132.49 1sgc s ARG 41 Ca 0.33 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 1sgc s ARG 41 Cb -0.15 -1.00 -0.02 0.00 -1.56 0.00 0.00 34.95 32.22 1sgc s ARG 41 CO 0.18 0.11 0.18 0.00 -0.81 0.00 0.00 175.30 174.96 1sgc s SER 43 N -3.18 3.39 0.26 0.00 0.01 0.85 -1.66 113.70 113.38 1sgc s SER 43 Ca 0.25 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 1sgc s SER 43 Cb 0.01 -0.24 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 1sgc s SER 43 CO 0.18 0.15 1.10 -0.22 0.41 0.00 0.00 173.24 174.85 1sgc s LEU 44 N -2.40 4.55 0.00 2.44 0.20 0.90 -3.40 118.68 120.96 1sgc s LEU 44 Ca 0.18 2.24 0.00 0.00 0.69 0.00 0.00 54.13 57.24 1sgc s LEU 44 Cb -0.09 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 1sgc s LEU 44 CO 0.08 -0.15 0.00 0.61 -0.29 0.00 0.00 176.35 176.61 1sgc n GLY 45 N 1.33 -0.28 3.17 7.98 0.00 0.11 -0.09 105.19 117.41 1sgc n GLY 45 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1sgc n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgc s PHE 46 N -0.83 -0.20 -0.06 1.61 0.08 -1.12 -4.02 117.98 113.44 1sgc s PHE 46 Ca 0.00 0.44 -0.25 0.00 0.12 0.00 0.00 56.93 57.24 1sgc s PHE 46 Cb 0.00 0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.49 1sgc s PHE 46 CO 0.00 -0.24 0.77 -0.80 -0.10 0.00 0.00 175.22 174.85 1sgc s ASN 47 N -0.56 7.08 0.33 1.36 0.01 -1.26 -0.60 114.94 121.29 1sgc s ASN 47 Ca -0.07 1.30 0.04 0.00 -0.71 0.00 0.00 52.86 53.42 1sgc s ASN 47 Cb -0.04 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 1sgc s ASN 47 CO 0.02 -0.17 0.18 0.68 -1.51 0.00 0.00 177.10 176.30 1sgc s VAL 48 N 0.93 0.27 -0.02 1.60 -7.23 0.14 -2.22 120.40 113.87 1sgc s VAL 48 Ca 0.41 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1sgc s VAL 48 Cb -0.18 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1sgc s VAL 48 CO 0.20 0.00 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.26 1sgc s SER 48 N -3.41 2.14 -0.25 4.85 0.15 0.14 -1.18 113.70 116.15 1sgc s SER 48 Ca 0.35 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1sgc s SER 48 Cb 0.04 -0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.12 1sgc s SER 48 CO 0.19 0.21 -0.07 -0.69 1.20 0.00 0.00 173.24 174.09 1sgc s VAL 48 N -0.36 1.77 -1.55 4.45 1.01 0.08 -0.83 120.40 124.97 1sgc s VAL 48 Ca 0.05 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.50 1sgc s VAL 48 Cb -0.08 -1.99 0.09 0.00 0.00 0.00 0.00 36.38 34.40 1sgc s VAL 48 CO -0.00 -0.11 0.85 0.59 0.00 0.00 0.00 175.10 176.43 1sgc n ASN 48 N 4.57 -3.59 0.00 3.32 4.13 -1.26 -1.00 115.26 121.43 1sgc n ASN 48 Ca -0.12 -0.87 0.00 0.00 1.68 0.00 0.00 54.58 55.27 1sgc n ASN 48 Cb 0.43 -3.49 0.00 0.00 -1.54 0.00 0.00 39.78 35.18 1sgc n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sgc n GLY 48 N -1.63 2.45 3.69 7.41 0.00 -1.26 -5.00 105.19 110.85 1sgc n GLY 48 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1sgc n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgc s VAL 49 N -3.21 5.10 0.02 1.61 1.01 -0.17 -5.02 120.40 119.73 1sgc s VAL 49 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 1sgc s VAL 49 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1sgc s VAL 49 CO 0.00 0.22 1.20 0.00 0.00 0.00 0.00 175.10 176.52 1sgc s ALA 50 N 1.22 3.42 0.21 5.51 0.00 -1.26 -0.74 121.76 130.12 1sgc s ALA 50 Ca 0.29 0.77 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 1sgc s ALA 50 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1sgc s ALA 50 CO 0.12 -0.55 0.14 -1.01 0.00 0.00 0.00 175.76 174.45 1sgc s HIS 51 N 1.49 1.20 -0.02 0.00 3.76 -0.32 -2.15 115.29 119.26 1sgc s HIS 51 Ca 0.58 -1.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.11 1sgc s HIS 51 Cb -0.28 -0.57 -0.00 0.00 1.11 0.00 0.00 32.58 32.84 1sgc s HIS 51 CO 0.27 -0.66 -0.09 0.00 -0.85 0.00 0.00 174.74 173.41 1sgc s ALA 52 N -4.11 0.80 0.13 -1.40 0.00 0.15 0.24 121.76 117.57 1sgc s ALA 52 Ca 0.39 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 1sgc s ALA 52 Cb 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 1sgc s ALA 52 CO 0.13 0.16 0.42 -0.51 0.00 0.00 0.00 175.76 175.97 1sgc s LEU 53 N -0.03 4.29 0.00 0.00 1.02 0.23 -1.33 118.68 122.86 1sgc s LEU 53 Ca 0.01 0.75 -0.03 0.00 0.02 0.00 0.00 54.13 54.88 1sgc s LEU 53 Cb -0.06 -3.23 0.01 0.00 0.02 0.00 0.00 46.19 42.94 1sgc s LEU 53 CO -0.00 0.09 0.18 1.07 0.02 0.00 0.00 176.35 177.70 1sgc n THR 54 N 0.44 0.00 -2.58 5.49 5.66 -0.71 0.07 114.28 122.64 1sgc n THR 54 Ca -0.04 -0.30 -0.33 0.00 -3.05 0.00 0.00 64.05 60.33 1sgc n THR 54 Cb 0.52 0.25 -0.05 0.00 -1.55 0.00 0.00 70.33 69.50 1sgc n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgc s ALA 55 N -1.43 3.04 0.24 1.79 0.00 -1.26 -1.93 121.76 122.21 1sgc s ALA 55 Ca 0.05 0.29 0.14 0.00 0.00 0.00 0.00 51.96 52.44 1sgc s ALA 55 Cb -0.01 -3.14 0.54 0.00 0.00 0.00 0.00 23.12 20.51 1sgc s ALA 55 CO 0.04 -0.09 1.69 0.78 0.00 0.00 0.00 175.76 178.17 1sgc h GLY 56 N 1.35 0.00 2.00 0.00 0.00 -1.57 -2.22 103.07 102.63 1sgc h GLY 56 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1sgc h GLY 56 CO 0.61 0.00 0.00 1.12 0.00 0.00 0.00 176.54 178.27 1sgc h HIS 57 N 0.00 0.00 0.03 5.60 2.07 -1.87 -0.04 115.15 120.94 1sgc h HIS 57 Ca -0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1sgc h HIS 57 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 1sgc h HIS 57 CO 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1sgc h THR 59 N -0.96 0.00 0.00 0.00 1.35 -1.16 -2.08 112.91 110.06 1sgc h THR 59 Ca -0.00 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1sgc h THR 59 Cb 0.60 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1sgc h THR 59 CO 0.01 0.00 -0.09 0.78 -0.25 0.00 0.00 175.52 175.97 1sgc h ASN 62 N 0.00 0.00 0.22 5.36 4.21 -1.12 -3.14 115.58 121.11 1sgc h ASN 62 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1sgc h ASN 62 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1sgc h ASN 62 CO 0.00 0.09 -0.10 0.40 -1.29 0.00 0.00 177.43 176.52 1sgc h ILE 63 N 0.00 0.80 -3.38 2.81 2.04 -1.53 -3.47 117.51 114.77 1sgc h ILE 63 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1sgc h ILE 63 Cb 0.32 0.84 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 1sgc h ILE 63 CO 0.01 0.02 -0.01 -0.55 0.00 0.00 0.00 178.15 177.62 1sgc s SER 64 N -4.96 -0.21 0.05 1.72 0.15 -1.19 -5.02 113.70 104.24 1sgc s SER 64 Ca -0.15 -0.58 0.23 0.00 0.70 0.00 0.00 55.95 56.16 1sgc s SER 64 Cb 0.05 0.57 0.17 0.00 -1.71 0.00 0.00 66.02 65.11 1sgc s SER 64 CO 0.64 -1.06 1.15 0.00 1.20 0.00 0.00 173.24 175.17 1sgc n ALA 65 N -0.34 3.42 -3.31 5.45 0.00 -1.26 -4.77 120.51 119.70 1sgc n ALA 65 Ca -0.08 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.62 1sgc n ALA 65 Cb 0.62 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 1sgc n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sgc s SER 65 N -3.76 4.74 0.16 0.00 0.15 -1.26 -0.62 113.70 113.11 1sgc s SER 65 Ca 0.06 -0.43 0.09 0.00 0.70 0.00 0.00 55.95 56.37 1sgc s SER 65 Cb 0.15 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1sgc s SER 65 CO 0.77 -0.07 -0.20 0.26 1.20 0.00 0.00 173.24 175.20 1sgc s TRP 66 N 1.52 1.96 0.40 3.44 0.52 -0.52 -4.61 118.94 121.66 1sgc s TRP 66 Ca 0.05 -0.43 0.20 0.00 0.02 0.00 0.00 56.10 55.94 1sgc s TRP 66 Cb -0.15 -0.99 1.14 0.00 -1.15 0.00 0.00 33.47 32.31 1sgc s TRP 66 CO 0.00 0.36 1.76 0.66 0.02 0.00 0.00 176.95 179.75 1sgc h SER 84 N 3.37 0.42 0.06 2.95 4.64 -1.47 -1.71 113.55 121.80 1sgc h SER 84 Ca -0.44 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1sgc h SER 84 Cb 1.20 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1sgc h SER 84 CO 0.48 0.07 -0.26 2.30 -0.87 0.00 0.00 176.83 178.54 1sgc n ILE 85 N -4.62 0.00 -3.26 0.95 -5.35 -1.26 -5.00 119.36 100.82 1sgc n ILE 85 Ca 0.26 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1sgc n ILE 85 Cb 0.92 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.76 1sgc n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sgc n GLY 86 N 1.35 -0.25 3.55 3.28 0.00 -0.65 -1.19 105.19 111.28 1sgc n GLY 86 Ca 0.12 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1sgc n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgc s THR 87 N -2.99 3.85 0.34 2.61 2.01 -0.98 -1.43 115.64 119.05 1sgc s THR 87 Ca 0.00 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1sgc s THR 87 Cb 0.00 -2.63 -0.11 0.00 0.01 0.00 0.00 72.50 69.77 1sgc s THR 87 CO 0.00 0.55 1.41 -0.60 -0.69 0.00 0.00 174.62 175.29 1sgc s ARG 88 N -0.25 4.23 0.00 4.92 3.52 0.21 0.36 118.95 131.94 1sgc s ARG 88 Ca 0.04 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 1sgc s ARG 88 Cb -0.13 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1sgc s ARG 88 CO 0.02 -0.37 0.66 0.25 -0.81 0.00 0.00 175.30 175.05 1sgc n THR 89 N 0.80 0.43 -3.60 4.11 -2.24 0.11 -4.84 114.28 109.04 1sgc n THR 89 Ca 0.01 -0.52 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1sgc n THR 89 Cb 0.40 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1sgc n THR 89 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sgc s GLY 90 N -0.43 -0.14 -0.08 3.38 0.00 -1.09 -4.95 107.32 104.01 1sgc s GLY 90 Ca 0.00 2.35 -0.25 0.00 0.00 0.00 0.00 44.72 46.82 1sgc s GLY 90 CO 0.00 1.16 0.58 -1.08 0.00 0.00 0.00 173.10 173.76 1sgc s THR 91 N -0.92 0.01 -0.31 0.90 -1.32 -1.26 -1.14 115.64 111.60 1sgc s THR 91 Ca 0.02 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.40 1sgc s THR 91 Cb -0.01 -0.88 0.15 0.00 -1.51 0.00 0.00 72.50 70.25 1sgc s THR 91 CO -0.02 -0.06 0.37 -0.55 -2.21 0.00 0.00 174.62 172.15 1sgc s SER 93 N -0.92 0.93 -0.26 8.08 0.15 0.06 -4.96 113.70 116.78 1sgc s SER 93 Ca -0.09 -0.78 -0.23 0.00 0.70 0.00 0.00 55.95 55.55 1sgc s SER 93 Cb -0.02 0.82 0.07 0.00 -1.71 0.00 0.00 66.02 65.17 1sgc s SER 93 CO 0.07 -0.34 0.70 0.12 1.20 0.00 0.00 173.24 174.98 1sgc s PHE 94 N 2.22 -0.82 0.00 3.44 5.36 -1.26 -2.25 117.98 124.68 1sgc s PHE 94 Ca 0.11 1.92 0.00 0.00 -0.96 0.00 0.00 56.93 58.00 1sgc s PHE 94 Cb -0.13 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 1sgc s PHE 94 CO -0.25 -0.40 0.00 -0.35 -1.46 0.00 0.00 175.22 172.77 1sgc n PRO 99 N 2.99 2.14 0.00 10.12 -0.04 -1.26 -4.96 135.00 143.98 1sgc n PRO 99 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1sgc n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1sgc n PRO 99 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1sgc n ASN 100 N 0.00 0.00 -5.03 3.54 5.15 -0.36 -4.73 115.26 113.83 1sgc n ASN 100 Ca 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.78 1sgc n ASN 100 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 1sgc n ASN 100 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1sgc s ASN 101 N 0.00 5.08 -0.42 1.20 0.02 -1.26 -1.92 114.94 117.64 1sgc s ASN 101 Ca 0.00 -0.87 0.08 0.00 -1.02 0.00 0.00 52.86 51.06 1sgc s ASN 101 Cb 0.00 0.30 0.29 0.00 0.02 0.00 0.00 41.25 41.86 1sgc s ASN 101 CO 0.00 -1.32 0.77 -0.67 0.02 0.00 0.00 177.10 175.90 1sgc n ASP 102 N -2.21 -0.72 -3.93 -1.22 4.64 -1.17 -4.14 116.55 107.79 1sgc n ASP 102 Ca 0.15 -3.10 -0.09 0.00 -1.38 0.00 0.00 54.79 50.37 1sgc n ASP 102 Cb 0.62 0.35 -0.09 0.00 -1.04 0.00 0.00 41.12 40.96 1sgc n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1sgc s TYR 103 N -0.90 0.25 0.23 -0.67 -0.00 -0.95 -3.41 117.35 111.90 1sgc s TYR 103 Ca 0.33 -0.66 -0.21 0.00 -0.00 0.00 0.00 57.07 56.53 1sgc s TYR 103 Cb 0.26 -0.16 0.04 0.00 -0.00 0.00 0.00 41.96 42.09 1sgc s TYR 103 CO -0.12 -0.45 0.65 0.20 -0.00 0.00 0.00 175.55 175.84 1sgc s GLY 104 N -2.62 -0.25 -0.01 5.49 0.00 -0.81 -0.76 107.32 108.35 1sgc s GLY 104 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.67 1sgc s GLY 104 CO -0.09 -0.04 0.04 -1.50 0.00 0.00 0.00 173.10 171.51 1sgc s ILE 105 N -3.86 0.00 -0.09 0.90 2.07 -0.29 -1.74 121.20 118.19 1sgc s ILE 105 Ca 0.08 -0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1sgc s ILE 105 Cb -0.04 -0.08 0.01 0.00 0.13 0.00 0.00 42.46 42.49 1sgc s ILE 105 CO -0.01 -0.02 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.21 1sgc s ILE 106 N -0.05 1.52 -0.01 2.00 1.01 -0.44 0.03 121.20 125.27 1sgc s ILE 106 Ca -0.01 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 1sgc s ILE 106 Cb -0.01 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1sgc s ILE 106 CO 0.00 0.44 0.81 -0.60 0.00 0.00 0.00 174.94 175.59 1sgc s ARG 107 N 0.67 4.50 0.20 2.79 3.52 0.16 0.34 118.95 131.13 1sgc s ARG 107 Ca -0.13 1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 56.27 1sgc s ARG 107 Cb -0.16 -3.43 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 1sgc s ARG 107 CO 0.04 0.10 1.35 -1.01 -0.81 0.00 0.00 175.30 174.96 1sgc s HIS 108 N 0.60 3.19 0.31 5.12 3.76 -0.91 -2.31 115.29 125.05 1sgc s HIS 108 Ca 0.42 1.13 0.13 0.00 -0.15 0.00 0.00 55.06 56.59 1sgc s HIS 108 Cb -0.20 -3.67 0.59 0.00 1.11 0.00 0.00 32.58 30.41 1sgc s HIS 108 CO 0.23 -2.15 1.74 0.77 -0.85 0.00 0.00 174.74 174.47 1sgc h SER 109 N 5.47 0.00 -3.62 1.40 0.02 -1.51 -3.39 113.55 111.92 1sgc h SER 109 Ca -0.45 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.87 1sgc h SER 109 Cb 1.21 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.35 1sgc h SER 109 CO 0.79 0.46 -0.72 0.21 -1.14 0.00 0.00 176.83 176.43 1sgc s ASN 110 N -6.82 4.46 0.53 3.07 2.47 -1.26 -5.00 114.94 112.39 1sgc s ASN 110 Ca -0.02 -2.16 0.20 0.00 0.42 0.00 0.00 52.86 51.31 1sgc s ASN 110 Cb 0.13 -1.40 1.36 0.00 -1.45 0.00 0.00 41.25 39.89 1sgc s ASN 110 CO 0.73 -0.36 2.10 -0.65 -3.72 0.00 0.00 177.10 175.20 1sgc h PRO 111 N 7.54 0.00 0.00 0.43 0.11 -1.94 -0.53 132.00 137.62 1sgc h PRO 111 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1sgc h PRO 111 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sgc h PRO 111 CO 0.52 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 1sgc n ALA 112 N -2.56 1.71 1.13 -0.75 0.00 -1.26 -1.99 120.51 116.79 1sgc n ALA 112 Ca 0.02 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1sgc n ALA 112 Cb 0.28 -1.36 0.47 0.00 0.00 0.00 0.00 19.45 18.84 1sgc n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sgc n ALA 113 N -1.71 2.93 -2.46 0.00 0.00 -0.20 -4.67 120.51 114.40 1sgc n ALA 113 Ca 0.03 -0.25 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1sgc n ALA 113 Cb 0.23 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1sgc n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sgc s ALA 114 N -2.83 2.81 -0.48 0.00 0.00 -0.84 -1.83 121.76 118.59 1sgc s ALA 114 Ca 0.18 -2.53 -0.24 0.00 0.00 0.00 0.00 51.96 49.37 1sgc s ALA 114 Cb 0.19 -4.62 0.03 0.00 0.00 0.00 0.00 23.12 18.72 1sgc s ALA 114 CO 0.58 -3.79 0.88 0.34 0.00 0.00 0.00 175.76 173.76 1sgc s ASP 115 N 5.05 6.43 0.00 0.00 -1.08 -1.20 -4.95 116.67 120.92 1sgc s ASP 115 Ca 0.55 -0.08 -0.02 0.00 -0.52 0.00 0.00 52.55 52.48 1sgc s ASP 115 Cb 0.01 -2.42 -0.09 0.00 -1.46 0.00 0.00 42.92 38.96 1sgc s ASP 115 CO 0.03 -1.04 1.67 0.61 0.52 0.00 0.00 175.17 176.97 1sgc n GLY 116 N 5.00 1.80 3.32 2.66 0.00 -1.26 -4.52 105.19 112.19 1sgc n GLY 116 Ca 0.04 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1sgc n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgc s ARG 117 N 1.71 1.77 -0.08 1.61 0.52 -1.26 -2.10 118.95 121.11 1sgc s ARG 117 Ca 0.22 -1.95 0.03 0.00 -0.52 0.00 0.00 55.73 53.50 1sgc s ARG 117 Cb 0.10 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.93 1sgc s ARG 117 CO 0.00 -0.67 -0.16 0.08 0.02 0.00 0.00 175.30 174.57 1sgc s VAL 118 N -3.39 1.43 0.00 3.52 1.01 0.00 0.23 120.40 123.20 1sgc s VAL 118 Ca 0.39 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1sgc s VAL 118 Cb 0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1sgc s VAL 118 CO 0.26 0.42 0.94 -0.47 0.00 0.00 0.00 175.10 176.25 1sgc s TYR 119 N 0.64 3.66 -2.51 5.22 5.04 -0.02 0.28 117.35 129.66 1sgc s TYR 119 Ca -0.14 1.65 0.24 0.00 -2.44 0.00 0.00 57.07 56.37 1sgc s TYR 119 Cb -0.16 -3.07 0.67 0.00 0.35 0.00 0.00 41.96 39.75 1sgc s TYR 119 CO 0.04 0.03 1.52 1.28 -1.34 0.00 0.00 175.55 177.08 1sgc n LEU 120 N 3.78 2.20 -1.53 6.97 4.77 0.43 -4.83 117.00 128.78 1sgc n LEU 120 Ca 0.05 -0.84 -0.17 0.00 -0.03 0.00 0.00 56.01 55.02 1sgc n LEU 120 Cb 0.51 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1sgc n LEU 120 CO 0.51 0.42 -0.18 -1.22 -1.33 0.00 0.00 177.39 175.59 1sgc n TYR 120 N 0.69 -0.33 -1.91 -1.77 4.01 -1.26 -4.47 117.16 112.12 1sgc n TYR 120 Ca 0.17 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.94 1sgc n TYR 120 Cb 0.44 -3.08 0.04 0.00 -0.31 0.00 0.00 39.34 36.43 1sgc n TYR 120 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1sgc n ASN 120 N -0.88 0.74 0.00 7.72 0.23 -1.26 -4.95 115.26 116.85 1sgc n ASN 120 Ca -0.18 -2.32 0.00 0.00 -0.53 0.00 0.00 54.58 51.55 1sgc n ASN 120 Cb 0.59 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1sgc n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sgc n GLY 120 N -0.23 0.72 3.58 4.83 0.00 -1.26 -5.01 105.19 107.83 1sgc n GLY 120 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1sgc n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgc s SER 120 N -2.43 3.86 0.09 1.61 0.15 -1.26 -5.04 113.70 110.68 1sgc s SER 120 Ca 0.00 -1.20 0.03 0.00 0.70 0.00 0.00 55.95 55.48 1sgc s SER 120 Cb 0.00 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1sgc s SER 120 CO 0.00 -0.28 -0.09 -0.31 1.20 0.00 0.00 173.24 173.76 1sgc s TYR 121 N -2.62 0.95 -0.19 3.44 1.51 -1.26 -0.43 117.35 118.75 1sgc s TYR 121 Ca 0.34 -0.68 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 1sgc s TYR 121 Cb 0.04 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.33 1sgc s TYR 121 CO 0.18 -0.05 0.00 -1.14 -1.11 0.00 0.00 175.55 173.43 1sgc s GLN 122 N -2.77 3.67 0.25 -0.62 2.00 0.14 -4.91 119.66 117.43 1sgc s GLN 122 Ca 0.04 -0.50 -0.30 0.00 -2.00 0.00 0.00 55.36 52.60 1sgc s GLN 122 Cb -0.03 -3.06 -0.09 0.00 0.80 0.00 0.00 33.01 30.63 1sgc s GLN 122 CO -0.01 0.09 1.06 0.34 -0.50 0.00 0.00 175.29 176.27 1sgc s ASP 123 N 0.79 7.36 -0.09 6.67 2.15 -1.26 -0.82 116.67 131.47 1sgc s ASP 123 Ca 0.00 2.16 -0.04 0.00 0.43 0.00 0.00 52.55 55.11 1sgc s ASP 123 Cb -0.14 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 1sgc s ASP 123 CO 0.02 -0.09 0.06 -0.63 -0.17 0.00 0.00 175.17 174.37 1sgc s ILE 124 N -1.00 4.82 0.00 4.11 -1.09 -0.89 -4.12 121.20 123.03 1sgc s ILE 124 Ca 0.44 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 1sgc s ILE 124 Cb -0.30 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1sgc s ILE 124 CO 0.38 0.59 0.00 0.35 -1.23 0.00 0.00 174.94 175.03 1sgc n THR 125 N 2.01 0.00 -4.16 2.92 -2.24 0.62 -4.83 114.28 108.59 1sgc n THR 125 Ca -0.19 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1sgc n THR 125 Cb 0.54 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1sgc n THR 125 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sgc s THR 126 N -1.08 0.00 0.06 4.28 -1.32 -1.07 -4.94 115.64 111.58 1sgc s THR 126 Ca 0.00 -1.81 0.09 0.00 -1.21 0.00 0.00 61.69 58.76 1sgc s THR 126 Cb 0.00 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.47 1sgc s THR 126 CO 0.00 0.00 -0.26 0.00 -2.21 0.00 0.00 174.62 172.15 1sgc s ALA 127 N -3.66 2.22 0.11 11.08 0.00 -1.26 -0.97 121.76 129.28 1sgc s ALA 127 Ca 0.35 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1sgc s ALA 127 Cb 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1sgc s ALA 127 CO 0.18 0.52 0.13 0.41 0.00 0.00 0.00 175.76 177.00 1sgc n GLY 128 N 1.64 3.12 3.47 0.00 0.00 0.23 -4.81 105.19 108.84 1sgc n GLY 128 Ca -0.17 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1sgc n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sgc s ASN 129 N -1.71 4.05 0.60 1.61 0.01 -1.26 -4.53 114.94 113.71 1sgc s ASN 129 Ca 0.10 -0.21 -0.15 0.00 -0.71 0.00 0.00 52.86 51.90 1sgc s ASN 129 Cb 0.00 -0.96 -0.03 0.00 0.41 0.00 0.00 41.25 40.66 1sgc s ASN 129 CO 0.07 0.32 1.05 0.00 -1.51 0.00 0.00 177.10 177.03 1sgc s ALA 130 N -0.59 2.79 0.02 0.60 0.00 -1.26 -5.08 121.76 118.23 1sgc s ALA 130 Ca 0.08 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1sgc s ALA 130 Cb -0.11 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1sgc s ALA 130 CO 0.01 -0.80 -0.05 -0.59 0.00 0.00 0.00 175.76 174.34 1sgc s PHE 131 N -2.60 0.41 0.11 0.00 -0.71 -1.26 -5.08 117.98 108.85 1sgc s PHE 131 Ca 0.62 -0.40 -0.31 0.00 -1.04 0.00 0.00 56.93 55.80 1sgc s PHE 131 Cb -0.15 -0.26 -0.09 0.00 -1.21 0.00 0.00 43.02 41.31 1sgc s PHE 131 CO 0.40 -0.10 1.69 0.08 -1.34 0.00 0.00 175.22 175.95 1sgc s VAL 132 N -1.09 2.76 0.00 -2.49 1.01 -1.26 -1.63 120.40 117.71 1sgc s VAL 132 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1sgc s VAL 132 Cb -0.08 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1sgc s VAL 132 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1sgc n GLY 133 N 4.02 0.63 3.75 4.51 0.00 0.69 -5.00 105.19 113.80 1sgc n GLY 133 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1sgc n GLY 133 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgc s GLN 134 N -0.76 4.42 -0.12 1.61 0.74 -0.64 -4.73 119.66 120.18 1sgc s GLN 134 Ca 0.00 2.07 -0.29 0.00 0.05 0.00 0.00 55.36 57.19 1sgc s GLN 134 Cb 0.00 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 1sgc s GLN 134 CO 0.00 -0.15 1.43 0.00 -0.55 0.00 0.00 175.29 176.01 1sgc s ALA 135 N -0.56 3.64 0.22 1.58 0.00 -1.26 -1.29 121.76 124.10 1sgc s ALA 135 Ca 0.52 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1sgc s ALA 135 Cb -0.37 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 1sgc s ALA 135 CO 0.44 -1.26 0.02 0.14 0.00 0.00 0.00 175.76 175.09 1sgc s VAL 136 N 3.71 0.86 0.12 0.00 -7.23 -0.28 -4.76 120.40 112.82 1sgc s VAL 136 Ca 0.63 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1sgc s VAL 136 Cb -0.27 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1sgc s VAL 136 CO 0.21 -0.30 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.49 1sgc s GLN 137 N -3.91 0.97 -0.01 4.82 -0.21 -0.62 -1.55 119.66 119.15 1sgc s GLN 137 Ca 0.29 -1.27 0.01 0.00 0.02 0.00 0.00 55.36 54.42 1sgc s GLN 137 Cb 0.06 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.38 1sgc s GLN 137 CO 0.08 0.11 -0.04 0.50 -2.12 0.00 0.00 175.29 173.83 1sgc s ARG 138 N -3.00 0.39 -0.06 2.91 3.52 0.11 -1.84 118.95 120.98 1sgc s ARG 138 Ca 0.10 -0.12 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 1sgc s ARG 138 Cb -0.02 -0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1sgc s ARG 138 CO 0.01 0.05 -0.22 0.45 -0.81 0.00 0.00 175.30 174.78 1sgc s SER 139 N 0.15 2.69 0.14 -2.12 0.15 -0.68 -1.22 113.70 112.81 1sgc s SER 139 Ca -0.01 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 55.97 1sgc s SER 139 Cb -0.05 -0.80 0.06 0.00 -1.71 0.00 0.00 66.02 63.52 1sgc s SER 139 CO -0.00 0.20 0.55 -0.83 1.20 0.00 0.00 173.24 174.35 1sgc s GLY 140 N -0.02 -0.53 0.07 9.45 0.00 0.57 -2.79 107.32 114.07 1sgc s GLY 140 Ca -0.05 0.38 0.24 0.00 0.00 0.00 0.00 44.72 45.28 1sgc s GLY 140 CO 0.04 0.07 1.74 -1.14 0.00 0.00 0.00 173.10 173.80 1sgc n SER 141 N -0.29 0.24 -0.10 1.64 3.41 -0.99 0.40 113.62 117.92 1sgc n SER 141 Ca -0.17 0.54 -0.17 0.00 -0.26 0.00 0.00 58.87 58.80 1sgc n SER 141 Cb 0.64 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1sgc n SER 141 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1sgc n THR 142 N -1.74 1.50 0.84 6.66 -1.04 -1.26 -4.60 114.28 114.65 1sgc n THR 142 Ca 0.05 -0.04 0.12 0.00 -2.04 0.00 0.00 64.05 62.14 1sgc n THR 142 Cb 0.29 -2.15 0.21 0.00 -1.82 0.00 0.00 70.33 66.86 1sgc n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sgc n THR 143 N -4.42 0.19 -3.41 12.58 -2.24 -1.25 -5.08 114.28 110.66 1sgc n THR 143 Ca -0.29 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1sgc n THR 143 Cb 0.62 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1sgc n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgc n GLY 156 N 1.37 1.00 3.68 3.38 0.00 0.16 -4.74 105.19 110.04 1sgc n GLY 156 Ca 0.17 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1sgc n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sgc s LEU 157 N 0.00 4.06 0.11 0.99 2.96 -1.26 -0.32 118.68 125.23 1sgc s LEU 157 Ca 0.00 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1sgc s LEU 157 Cb 0.00 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1sgc s LEU 157 CO 0.00 0.14 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.94 1sgc s ARG 158 N 0.58 0.91 0.12 1.98 1.81 -0.35 -4.96 118.95 119.03 1sgc s ARG 158 Ca 0.07 -1.26 0.03 0.00 -1.72 0.00 0.00 55.73 52.85 1sgc s ARG 158 Cb -0.12 -0.54 -0.04 0.00 -0.45 0.00 0.00 34.95 33.79 1sgc s ARG 158 CO 0.00 0.07 -0.08 -1.54 -0.68 0.00 0.00 175.30 173.07 1sgc s SER 159 N -2.70 1.43 0.00 0.23 1.04 -1.26 0.07 113.70 112.51 1sgc s SER 159 Ca 0.09 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1sgc s SER 159 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1sgc s SER 159 CO -0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1sgc n GLY 160 N 0.01 1.14 3.09 7.32 0.00 -0.60 -4.75 105.19 111.40 1sgc n GLY 160 Ca -0.12 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1sgc n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgc s SER 161 N 2.00 0.28 -0.02 1.61 1.04 -1.26 -1.13 113.70 116.23 1sgc s SER 161 Ca 0.00 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.45 1sgc s SER 161 Cb 0.00 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1sgc s SER 161 CO 0.00 -0.51 1.20 -0.69 0.98 0.00 0.00 173.24 174.22 1sgc s VAL 162 N -2.87 4.18 -0.52 5.02 1.01 -0.41 -2.33 120.40 124.48 1sgc s VAL 162 Ca -0.03 1.53 0.08 0.00 0.00 0.00 0.00 61.98 63.56 1sgc s VAL 162 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1sgc s VAL 162 CO -0.06 0.04 0.43 0.35 0.00 0.00 0.00 175.10 175.85 1sgc n THR 163 N 4.40 0.00 -3.53 3.92 -2.24 0.16 -0.22 114.28 116.77 1sgc n THR 163 Ca 0.10 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.44 1sgc n THR 163 Cb 0.46 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 1sgc n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sgc s GLY 164 N -1.46 -0.43 0.16 3.38 0.00 -0.95 -4.93 107.32 103.10 1sgc s GLY 164 Ca 0.05 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.95 1sgc s GLY 164 CO 0.26 0.37 -0.11 1.08 0.00 0.00 0.00 173.10 174.70 1sgc s LEU 165 N -2.42 2.54 -1.45 0.66 1.43 -1.26 -0.21 118.68 117.96 1sgc s LEU 165 Ca 0.06 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1sgc s LEU 165 Cb -0.01 -0.45 0.05 0.00 0.03 0.00 0.00 46.19 45.82 1sgc s LEU 165 CO -0.08 -0.28 0.75 -3.20 0.23 0.00 0.00 176.35 173.77 1sgc n ASN 166 N -0.24 -4.97 -4.77 2.29 4.05 -0.85 -4.89 115.26 105.88 1sgc n ASN 166 Ca -0.10 -0.51 -0.39 0.00 0.45 0.00 0.00 54.58 54.03 1sgc n ASN 166 Cb 0.60 -4.01 -0.06 0.00 1.23 0.00 0.00 39.78 37.54 1sgc n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sgc s ALA 167 N -3.16 3.39 -0.16 5.20 0.00 0.12 -4.38 121.76 122.78 1sgc s ALA 167 Ca 0.49 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1sgc s ALA 167 Cb -0.24 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1sgc s ALA 167 CO 0.60 0.26 0.37 0.99 0.00 0.00 0.00 175.76 177.98 1sgc s THR 168 N -1.23 5.25 -0.11 0.00 2.01 -1.26 -1.27 115.64 119.02 1sgc s THR 168 Ca 0.39 0.71 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1sgc s THR 168 Cb -0.23 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1sgc s THR 168 CO 0.27 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.74 1sgc s VAL 169 N 0.69 1.25 -0.38 3.82 1.01 0.43 -4.98 120.40 122.23 1sgc s VAL 169 Ca 0.20 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1sgc s VAL 169 Cb -0.14 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1sgc s VAL 169 CO 0.07 0.40 0.32 0.21 0.00 0.00 0.00 175.10 176.10 1sgc s ASN 170 N 1.37 6.13 -0.37 3.32 3.84 -1.26 -0.11 114.94 127.86 1sgc s ASN 170 Ca -0.00 -0.63 0.08 0.00 0.21 0.00 0.00 52.86 52.52 1sgc s ASN 170 Cb -0.13 -2.17 0.73 0.00 -0.55 0.00 0.00 41.25 39.12 1sgc s ASN 170 CO -0.06 -0.41 1.86 -1.22 -2.79 0.00 0.00 177.10 174.48 1sgc n TYR 171 N 5.27 2.70 0.00 0.43 0.53 0.83 -5.00 117.16 121.92 1sgc n TYR 171 Ca -0.10 -1.41 0.00 0.00 -1.02 0.00 0.00 57.90 55.37 1sgc n TYR 171 Cb 0.48 -0.78 0.00 0.00 -1.03 0.00 0.00 39.34 38.01 1sgc n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1sgc n GLY 172 N -0.45 3.92 0.33 2.72 0.00 -1.25 -2.47 105.19 107.97 1sgc n GLY 172 Ca 0.47 0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.70 1sgc n GLY 172 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sgc h SER 173 N 0.00 0.00 1.36 1.61 4.64 -2.05 -1.13 113.55 117.98 1sgc h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgc h SER 173 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sgc h SER 173 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1sgc n SER 174 N -3.51 0.65 0.00 4.97 7.64 -1.03 -5.04 113.62 117.29 1sgc n SER 174 Ca -0.02 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1sgc n SER 174 Cb 0.18 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1sgc n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgc n GLY 175 N 1.31 -2.76 3.49 0.23 0.00 -0.43 -4.65 105.19 102.38 1sgc n GLY 175 Ca 0.06 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 1sgc n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgc s ILE 176 N -0.84 3.59 0.10 -0.61 1.09 -1.26 -0.12 121.20 123.15 1sgc s ILE 176 Ca 0.00 -0.49 0.06 0.00 -1.10 0.00 0.00 60.65 59.13 1sgc s ILE 176 Cb 0.00 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 1sgc s ILE 176 CO 0.00 0.54 -0.07 0.68 -0.10 0.00 0.00 174.94 175.99 1sgc s VAL 177 N -0.07 3.57 0.17 2.92 -7.23 0.84 -1.23 120.40 119.37 1sgc s VAL 177 Ca 0.00 -1.19 0.09 0.00 -1.81 0.00 0.00 61.98 59.07 1sgc s VAL 177 Cb -0.13 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1sgc s VAL 177 CO 0.03 0.11 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.44 1sgc s TYR 178 N -1.25 1.85 -1.12 2.82 1.51 -0.81 -0.43 117.35 119.93 1sgc s TYR 178 Ca 0.23 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1sgc s TYR 178 Cb -0.11 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1sgc s TYR 178 CO 0.15 0.35 0.95 0.41 -1.11 0.00 0.00 175.55 176.30 1sgc n GLY 179 N 0.26 -0.31 3.83 0.71 0.00 -1.06 -4.79 105.19 103.83 1sgc n GLY 179 Ca -0.13 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1sgc n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sgc s MET 180 N -5.54 3.99 0.21 1.61 -1.94 -0.40 -4.36 119.30 112.87 1sgc s MET 180 Ca 0.18 0.49 -0.30 0.00 -1.71 0.00 0.00 55.69 54.36 1sgc s MET 180 Cb -0.08 -3.15 -0.08 0.00 2.01 0.00 0.00 34.83 33.53 1sgc s MET 180 CO 0.65 0.62 1.05 0.42 -0.01 0.00 0.00 175.02 177.76 1sgc s ILE 181 N -1.20 3.88 -0.11 2.53 1.01 0.25 -0.70 121.20 126.85 1sgc s ILE 181 Ca 0.29 1.73 -0.01 0.00 0.00 0.00 0.00 60.65 62.66 1sgc s ILE 181 Cb -0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1sgc s ILE 181 CO 0.17 0.35 -0.09 -1.58 0.00 0.00 0.00 174.94 173.78 1sgc s GLN 182 N -0.77 3.23 0.20 2.79 0.74 0.70 -0.21 119.66 126.34 1sgc s GLN 182 Ca 0.46 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 55.26 1sgc s GLN 182 Cb -0.29 -2.68 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1sgc s GLN 182 CO 0.35 0.37 0.10 0.95 -0.55 0.00 0.00 175.29 176.52 1sgc s THR 183 N -0.04 0.18 -0.32 -0.34 -4.23 0.27 -0.66 115.64 110.49 1sgc s THR 183 Ca -0.01 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1sgc s THR 183 Cb -0.14 -2.44 0.72 0.00 1.34 0.00 0.00 72.50 71.99 1sgc s THR 183 CO 0.03 -0.10 1.78 -0.46 -0.54 0.00 0.00 174.62 175.33 1sgc n ASN 184 N -0.28 4.60 -4.82 3.99 0.23 -0.98 -1.34 115.26 116.65 1sgc n ASN 184 Ca -0.00 -3.27 -0.38 0.00 -0.53 0.00 0.00 54.58 50.40 1sgc n ASN 184 Cb 0.66 -0.74 -0.06 0.00 -2.08 0.00 0.00 39.78 37.56 1sgc n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sgc s VAL 190 N -3.02 4.81 0.51 3.53 1.01 -1.26 -4.72 120.40 121.26 1sgc s VAL 190 Ca 0.54 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1sgc s VAL 190 Cb 0.44 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1sgc s VAL 190 CO 0.12 0.50 0.85 0.00 0.00 0.00 0.00 175.10 176.58 1sgc s ALA 192 N -2.81 -0.82 0.19 0.00 0.00 -1.26 -4.93 121.76 112.13 1sgc s ALA 192 Ca 0.50 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1sgc s ALA 192 Cb -0.10 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1sgc s ALA 192 CO 0.46 -0.87 0.14 -0.65 0.00 0.00 0.00 175.76 174.84 1sgc s GLN 192 N -3.92 1.17 0.29 0.00 -0.21 -1.26 -4.32 119.66 111.41 1sgc s GLN 192 Ca 0.13 -1.55 -0.30 0.00 0.02 0.00 0.00 55.36 53.66 1sgc s GLN 192 Cb -0.02 0.28 -0.12 0.00 1.00 0.00 0.00 33.01 34.15 1sgc s GLN 192 CO 0.03 -0.38 1.41 -2.30 -2.12 0.00 0.00 175.29 171.92 1sgc n PRO 192 N -0.24 2.24 0.00 2.91 -0.02 -1.26 -0.96 135.00 137.67 1sgc n PRO 192 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1sgc n PRO 192 Cb 0.65 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1sgc n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgc n GLY 193 N 1.58 3.03 0.09 -1.23 0.00 -1.26 -4.73 105.19 102.66 1sgc n GLY 193 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1sgc n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sgc h ASP 194 N 0.12 0.00 -3.76 1.61 3.45 -1.36 -3.28 116.42 113.21 1sgc h ASP 194 Ca 0.00 -0.10 -0.55 0.00 0.43 0.00 0.00 57.03 56.82 1sgc h ASP 194 Cb 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 38.88 1sgc h ASP 194 CO 0.00 0.05 0.70 -1.20 -1.57 0.00 0.00 179.24 177.22 1sgc n SER 195 N -2.24 3.52 0.00 6.45 7.64 -1.26 -2.31 113.62 125.43 1sgc n SER 195 Ca 0.04 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1sgc n SER 195 Cb 0.44 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1sgc n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgc n GLY 196 N 0.53 1.88 3.72 0.23 0.00 0.39 -0.11 105.19 111.85 1sgc n GLY 196 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1sgc n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgc s GLY 197 N -1.99 1.59 0.14 -0.02 0.00 -0.98 -1.19 107.32 104.87 1sgc s GLY 197 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 1sgc s GLY 197 CO 0.00 0.25 1.22 -0.56 0.00 0.00 0.00 173.10 174.01 1sgc s SER 198 N -3.61 7.05 -0.19 1.64 0.01 -1.12 -1.65 113.70 115.84 1sgc s SER 198 Ca 0.64 2.18 -0.01 0.00 1.31 0.00 0.00 55.95 60.07 1sgc s SER 198 Cb -0.17 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1sgc s SER 198 CO 0.56 -0.43 -0.13 -0.22 0.41 0.00 0.00 173.24 173.43 1sgc s LEU 199 N 0.28 2.48 0.19 2.44 2.96 -0.40 -1.69 118.68 124.94 1sgc s LEU 199 Ca 0.56 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1sgc s LEU 199 Cb -0.32 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1sgc s LEU 199 CO 0.34 0.01 0.29 0.72 -1.32 0.00 0.00 176.35 176.39 1sgc s PHE 200 N 1.24 0.55 -0.31 5.38 -0.12 -0.77 -0.53 117.98 123.42 1sgc s PHE 200 Ca 0.03 -0.89 -0.02 0.00 -0.05 0.00 0.00 56.93 55.99 1sgc s PHE 200 Cb -0.14 -0.12 0.11 0.00 -0.63 0.00 0.00 43.02 42.24 1sgc s PHE 200 CO -0.06 -0.76 0.15 0.00 -0.05 0.00 0.00 175.22 174.50 1sgc s ALA 201 N -4.02 0.89 0.00 1.99 0.00 -0.17 -1.59 121.76 118.86 1sgc s ALA 201 Ca 0.23 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1sgc s ALA 201 Cb 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1sgc s ALA 201 CO 0.04 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.44 1sgc n GLY 202 N 4.85 2.01 1.30 0.00 0.00 -1.26 -1.91 105.19 110.19 1sgc n GLY 202 Ca -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1sgc n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sgc n SER 207 N 3.55 3.79 -4.42 1.61 3.41 -1.26 -4.80 113.62 115.51 1sgc n SER 207 Ca 0.00 -2.47 -0.35 0.00 -0.26 0.00 0.00 58.87 55.78 1sgc n SER 207 Cb 0.00 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.27 1sgc n SER 207 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sgc s THR 208 N -1.98 3.91 0.08 6.66 2.01 -0.80 -0.28 115.64 125.25 1sgc s THR 208 Ca 0.35 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1sgc s THR 208 Cb 0.25 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1sgc s THR 208 CO 0.13 0.40 1.05 0.00 -0.69 0.00 0.00 174.62 175.51 1sgc s ALA 209 N 1.26 3.28 0.00 7.40 0.00 -0.14 -1.00 121.76 132.56 1sgc s ALA 209 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1sgc s ALA 209 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1sgc s ALA 209 CO 0.01 -0.21 0.00 1.28 0.00 0.00 0.00 175.76 176.84 1sgc n LEU 210 N 3.24 0.62 -3.83 0.00 4.77 0.31 0.74 117.00 122.85 1sgc n LEU 210 Ca 0.05 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1sgc n LEU 210 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1sgc n LEU 210 CO 0.53 0.10 0.65 -0.83 -1.33 0.00 0.00 177.39 176.52 1sgc s GLY 211 N -2.72 0.10 -0.07 -0.72 0.00 -0.55 -1.61 107.32 101.75 1sgc s GLY 211 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.39 1sgc s GLY 211 CO 0.00 0.67 -0.20 1.08 0.00 0.00 0.00 173.10 174.65 1sgc s LEU 212 N -3.13 1.94 0.18 0.66 1.43 -0.06 -1.28 118.68 118.42 1sgc s LEU 212 Ca 0.16 -0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 52.50 1sgc s LEU 212 Cb -0.04 -1.16 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 1sgc s LEU 212 CO 0.07 0.14 1.63 -0.89 0.23 0.00 0.00 176.35 177.53 1sgc s THR 213 N 0.27 2.40 -0.07 5.49 2.01 -0.66 -0.19 115.64 124.89 1sgc s THR 213 Ca -0.12 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 1sgc s THR 213 Cb -0.15 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1sgc s THR 213 CO 0.05 0.02 -0.14 -0.24 -0.69 0.00 0.00 174.62 173.63 1sgc n SER 214 N 4.03 0.98 -0.40 3.53 2.88 -0.44 -0.46 113.62 123.74 1sgc n SER 214 Ca 0.15 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1sgc n SER 214 Cb 0.37 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sgc n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sgc n GLY 215 N 2.46 0.89 0.00 0.46 0.00 -1.19 -4.89 105.19 102.93 1sgc n GLY 215 Ca -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1sgc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgc n GLY 216 N 0.00 -0.45 3.07 -0.02 0.00 -1.26 -0.00 105.19 106.53 1sgc n GLY 216 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1sgc n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgc s SER 217 N -4.00 0.38 0.00 1.61 1.04 -0.50 -4.99 113.70 107.23 1sgc s SER 217 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1sgc s SER 217 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1sgc s SER 217 CO 0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1sgc n GLY 218 N 0.57 -1.24 2.25 7.32 0.00 -1.26 -2.12 105.19 110.71 1sgc n GLY 218 Ca -0.17 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1sgc n GLY 218 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sgc n ASN 219 N 0.22 -1.30 -0.11 1.61 0.23 -0.94 -4.85 115.26 110.13 1sgc n ASN 219 Ca 0.00 -1.86 0.13 0.00 -0.53 0.00 0.00 54.58 52.32 1sgc n ASN 219 Cb 0.00 2.16 0.73 0.00 -2.08 0.00 0.00 39.78 40.59 1sgc n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sgc n ARG 221 N -0.67 0.56 0.07 0.00 -4.01 -1.26 -4.44 116.66 106.90 1sgc n ARG 221 Ca 0.20 0.15 0.12 0.00 -1.04 0.00 0.00 57.85 57.27 1sgc n ARG 221 Cb 0.15 -1.44 0.09 0.00 -3.04 0.00 0.00 32.46 28.22 1sgc n ARG 221 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1sgc n THR 222 N -3.33 0.40 0.00 8.89 -2.24 -1.24 -5.07 114.28 111.69 1sgc n THR 222 Ca -0.42 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1sgc n THR 222 Cb 0.91 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1sgc n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgc n GLY 223 N 1.29 -1.38 0.00 3.38 0.00 0.20 -4.89 105.19 103.80 1sgc n GLY 223 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1sgc n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgc n GLY 224 N -1.62 0.77 3.48 -0.02 0.00 -1.23 -2.21 105.19 104.36 1sgc n GLY 224 Ca 0.00 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1sgc n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgc s THR 225 N -2.22 3.40 0.06 2.61 2.01 -0.90 -4.10 115.64 116.50 1sgc s THR 225 Ca 0.00 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.48 1sgc s THR 225 Cb 0.00 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1sgc s THR 225 CO 0.00 0.55 -0.13 0.42 -0.69 0.00 0.00 174.62 174.77 1sgc s THR 226 N -0.22 1.03 -0.01 -0.82 -4.23 -0.45 -1.42 115.64 109.53 1sgc s THR 226 Ca 0.02 -1.21 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1sgc s THR 226 Cb -0.13 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 1sgc s THR 226 CO 0.03 -0.20 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.30 1sgc s PHE 227 N -1.19 2.36 0.07 3.99 0.40 1.00 -0.56 117.98 124.04 1sgc s PHE 227 Ca -0.02 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.96 1sgc s PHE 227 Cb -0.09 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1sgc s PHE 227 CO 0.02 0.00 -0.18 0.71 0.70 0.00 0.00 175.22 176.47 1sgc s TYR 228 N -0.65 1.57 -0.06 0.36 2.02 0.70 -1.33 117.35 119.96 1sgc s TYR 228 Ca 0.10 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.12 1sgc s TYR 228 Cb -0.10 -0.90 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1sgc s TYR 228 CO -0.00 0.11 0.94 -1.14 -1.57 0.00 0.00 175.55 173.89 1sgc s GLN 229 N -1.50 4.47 0.09 -0.62 2.00 0.73 -0.59 119.66 124.24 1sgc s GLN 229 Ca 0.04 1.30 -0.32 0.00 -2.00 0.00 0.00 55.36 54.39 1sgc s GLN 229 Cb -0.09 -3.50 -0.11 0.00 0.80 0.00 0.00 33.01 30.11 1sgc s GLN 229 CO 0.03 -0.16 1.82 -2.30 -0.50 0.00 0.00 175.29 174.17 1sgc n PRO 230 N 4.41 2.62 0.11 1.67 -0.02 -1.26 -0.88 135.00 141.65 1sgc n PRO 230 Ca 0.06 0.95 -0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1sgc n PRO 230 Cb 0.50 -2.83 0.29 0.00 -0.02 0.00 0.00 33.50 31.44 1sgc n PRO 230 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1sgc h VAL 231 N 4.68 1.27 -0.17 -1.45 3.04 -1.59 -3.11 116.25 118.92 1sgc h VAL 231 Ca -0.47 -1.27 -0.04 0.00 -1.01 0.00 0.00 66.70 63.91 1sgc h VAL 231 Cb 1.23 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 1sgc h VAL 231 CO 0.94 0.38 -0.06 0.71 -1.01 0.00 0.00 177.57 178.53 1sgc h THR 232 N 0.19 1.15 -0.31 3.17 1.35 -1.81 0.01 112.91 116.66 1sgc h THR 232 Ca 0.02 -0.63 -0.14 0.00 -0.55 0.00 0.00 66.41 65.12 1sgc h THR 232 Cb 0.67 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1sgc h THR 232 CO 0.05 0.20 -0.37 -0.08 -0.25 0.00 0.00 175.52 175.07 1sgc h GLU 233 N 0.25 0.70 -0.42 4.72 4.81 -1.94 -1.40 114.58 121.30 1sgc h GLU 233 Ca 0.06 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1sgc h GLU 233 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1sgc h GLU 233 CO 0.01 0.96 -0.13 0.00 -0.73 0.00 0.00 179.01 179.12 1sgc h ALA 234 N 1.00 0.59 -0.31 2.92 0.00 -1.52 -1.96 119.26 119.98 1sgc h ALA 234 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1sgc h ALA 234 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sgc h ALA 234 CO 0.08 0.49 0.16 -0.07 0.00 0.00 0.00 179.25 179.91 1sgc h LEU 235 N 0.66 0.40 -1.03 0.00 3.38 -0.86 -2.69 115.31 115.16 1sgc h LEU 235 Ca 0.10 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1sgc h LEU 235 Cb 0.67 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1sgc h LEU 235 CO 0.05 0.39 -0.28 0.77 0.09 0.00 0.00 178.44 179.46 1sgc h SER 235 N 0.37 0.35 -0.49 -0.43 4.64 -1.26 0.39 113.55 117.12 1sgc h SER 235 Ca 0.11 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1sgc h SER 235 Cb 0.09 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1sgc h SER 235 CO -0.02 0.63 0.33 0.00 -0.87 0.00 0.00 176.83 176.90 1sgc h ALA 236 N 1.40 1.85 -0.05 5.18 0.00 -1.02 -3.08 119.26 123.54 1sgc h ALA 236 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sgc h ALA 236 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sgc h ALA 236 CO 0.05 0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.04 1sgc n TYR 237 N -4.48 0.06 -3.39 0.00 4.01 -1.09 -4.99 117.16 107.28 1sgc n TYR 237 Ca 0.06 -0.13 -0.19 0.00 -0.16 0.00 0.00 57.90 57.48 1sgc n TYR 237 Cb 0.20 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.29 1sgc n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sgc n GLY 238 N 0.27 -0.28 3.86 2.72 0.00 -0.06 -4.95 105.19 106.75 1sgc n GLY 238 Ca 0.04 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1sgc n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgc s ALA 239 N -3.27 3.67 -0.01 4.61 0.00 -0.15 -4.38 121.76 122.23 1sgc s ALA 239 Ca 0.45 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1sgc s ALA 239 Cb -0.20 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1sgc s ALA 239 CO 0.60 0.25 -0.09 0.95 0.00 0.00 0.00 175.76 177.47 1sgc s THR 240 N -2.09 0.75 0.39 0.00 -4.23 -0.01 -4.67 115.64 105.78 1sgc s THR 240 Ca 0.33 -0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 60.16 1sgc s THR 240 Cb -0.08 -0.63 -0.09 0.00 1.34 0.00 0.00 72.50 73.04 1sgc s THR 240 CO 0.26 0.20 1.25 0.68 -0.54 0.00 0.00 174.62 176.47 1sgc s VAL 241 N -0.24 2.83 -2.52 2.29 -7.23 -1.26 0.25 120.40 114.51 1sgc s VAL 241 Ca 0.03 0.74 0.28 0.00 -1.81 0.00 0.00 61.98 61.22 1sgc s VAL 241 Cb -0.04 -3.44 0.54 0.00 0.56 0.00 0.00 36.38 34.00 1sgc s VAL 241 CO -0.00 0.11 1.73 0.18 -0.31 0.00 0.00 175.10 176.80