#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s GLU 2 N 0.00 4.09 0.15 0.03 2.02 -1.26 -4.96 118.70 118.77 1n8r s GLU 2 Ca 0.00 1.69 -0.34 0.00 0.02 0.00 0.00 54.97 56.34 1n8r s GLU 2 Cb 0.00 -2.61 -0.15 0.00 0.10 0.00 0.00 34.13 31.47 1n8r s GLU 2 CO 0.00 -0.25 1.40 0.00 0.02 0.00 0.00 175.26 176.43 1n8r n ALA 3 N -0.01 0.13 0.18 5.21 0.00 -1.26 -4.86 120.51 119.90 1n8r n ALA 3 Ca 0.05 0.47 0.04 0.00 0.00 0.00 0.00 53.44 54.00 1n8r n ALA 3 Cb 0.48 -2.19 0.31 0.00 0.00 0.00 0.00 19.45 18.06 1n8r n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n8r h LEU 4 N 4.74 0.00 0.00 0.00 3.38 -1.92 -3.47 115.31 118.04 1n8r h LEU 4 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1n8r h LEU 4 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1n8r h LEU 4 CO 0.80 0.41 -0.00 0.61 0.09 0.00 0.00 178.44 180.35 1n8r n GLY 5 N 0.17 0.37 3.61 0.83 0.00 -1.26 -4.67 105.19 104.24 1n8r n GLY 5 Ca -0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1n8r n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 6 N -2.00 -1.98 0.04 4.61 0.00 -1.26 -4.41 121.76 116.76 1n8r s ALA 6 Ca 0.00 1.71 -0.18 0.00 0.00 0.00 0.00 51.96 53.49 1n8r s ALA 6 Cb 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 1n8r s ALA 6 CO 0.00 -0.27 0.53 -0.51 0.00 0.00 0.00 175.76 175.51 1n8r s ASP 7 N -0.60 6.98 0.05 0.00 1.01 -0.56 -4.95 116.67 118.60 1n8r s ASP 7 Ca 0.01 1.17 0.07 0.00 0.71 0.00 0.00 52.55 54.51 1n8r s ASP 7 Cb -0.02 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1n8r s ASP 7 CO -0.03 0.27 -0.20 -0.69 0.21 0.00 0.00 175.17 174.73 1n8r s VAL 8 N -1.00 1.65 -0.58 -1.27 1.01 -1.26 -1.56 120.40 117.38 1n8r s VAL 8 Ca 0.28 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1n8r s VAL 8 Cb -0.19 -1.44 0.15 0.00 0.00 0.00 0.00 36.38 34.90 1n8r s VAL 8 CO 0.17 0.16 0.39 -0.89 0.00 0.00 0.00 175.10 174.94 1n8r s THR 9 N -0.85 3.69 -0.06 3.92 2.01 -1.26 -5.04 115.64 118.05 1n8r s THR 9 Ca 0.07 -2.71 -0.35 0.00 0.31 0.00 0.00 61.69 59.01 1n8r s THR 9 Cb -0.09 -3.43 -0.17 0.00 0.01 0.00 0.00 72.50 68.82 1n8r s THR 9 CO 0.02 -0.84 0.97 0.00 -0.69 0.00 0.00 174.62 174.08 1n8r n GLN 10 N 3.79 0.00 -0.24 4.92 3.00 -1.26 -4.80 117.38 122.79 1n8r n GLN 10 Ca 0.05 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.11 1n8r n GLN 10 Cb 0.39 -1.27 0.17 0.00 0.00 0.00 0.00 30.24 29.53 1n8r n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n8r n GLY 11 N 1.58 3.62 3.06 1.08 0.00 -0.95 -4.88 105.19 108.69 1n8r n GLY 11 Ca 0.18 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1n8r n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8r s LEU 12 N -2.00 2.34 0.33 0.99 1.43 -0.08 -4.89 118.68 116.81 1n8r s LEU 12 Ca 0.29 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1n8r s LEU 12 Cb 0.22 0.00 -0.06 0.00 0.03 0.00 0.00 46.19 46.38 1n8r s LEU 12 CO 0.09 -0.36 0.06 -1.61 0.23 0.00 0.00 176.35 174.76 1n8r s GLU 13 N -2.42 1.67 0.24 1.70 2.02 -1.26 0.70 118.70 121.36 1n8r s GLU 13 Ca -0.04 -1.93 -0.30 0.00 0.02 0.00 0.00 54.97 52.71 1n8r s GLU 13 Cb -0.04 -0.85 -0.10 0.00 0.10 0.00 0.00 34.13 33.24 1n8r s GLU 13 CO -0.03 -0.21 1.46 0.21 0.02 0.00 0.00 175.26 176.71 1n8r s LYS 14 N -3.88 4.25 0.00 1.61 2.20 -0.57 -1.90 119.74 121.45 1n8r s LYS 14 Ca 0.36 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1n8r s LYS 14 Cb 0.08 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1n8r s LYS 14 CO 0.15 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 1n8r n GLY 15 N 2.37 0.94 3.77 5.54 0.00 0.12 -4.96 105.19 112.97 1n8r n GLY 15 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1n8r n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8r s SER 16 N -1.80 6.84 -0.25 1.61 0.01 -0.80 -4.71 113.70 114.61 1n8r s SER 16 Ca 0.00 2.58 -0.11 0.00 1.31 0.00 0.00 55.95 59.73 1n8r s SER 16 Cb 0.00 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 1n8r s SER 16 CO 0.00 -0.48 0.17 -0.76 0.41 0.00 0.00 173.24 172.59 1n8r s LEU 17 N -1.80 4.09 0.22 2.44 1.43 -1.26 -0.93 118.68 122.87 1n8r s LEU 17 Ca 0.49 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1n8r s LEU 17 Cb -0.37 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1n8r s LEU 17 CO 0.49 0.03 0.01 0.27 0.23 0.00 0.00 176.35 177.39 1n8r s ILE 18 N 1.24 0.88 0.30 -0.59 -4.36 0.87 -4.96 121.20 114.57 1n8r s ILE 18 Ca 0.08 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.17 1n8r s ILE 18 Cb -0.14 -2.33 -0.09 0.00 1.25 0.00 0.00 42.46 41.15 1n8r s ILE 18 CO 0.06 -0.32 0.98 -0.89 0.24 0.00 0.00 174.94 175.01 1n8r s THR 19 N -3.52 3.98 -0.76 8.37 2.01 -0.36 -0.07 115.64 125.29 1n8r s THR 19 Ca 0.28 1.80 -0.16 0.00 0.31 0.00 0.00 61.69 63.92 1n8r s THR 19 Cb 0.06 -4.07 0.16 0.00 0.01 0.00 0.00 72.50 68.66 1n8r s THR 19 CO 0.08 0.29 0.80 0.00 -0.69 0.00 0.00 174.62 175.10 1n8r n ALA 21 N 5.24 4.69 -3.64 0.00 0.00 0.40 -4.78 120.51 122.42 1n8r n ALA 21 Ca 0.07 -3.24 0.04 0.00 0.00 0.00 0.00 53.44 50.31 1n8r n ALA 21 Cb 0.45 -3.46 0.02 0.00 0.00 0.00 0.00 19.45 16.47 1n8r n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n8r n ASP 22 N 6.01 -1.43 -1.66 0.00 5.68 -1.26 -2.65 116.55 121.25 1n8r n ASP 22 Ca 0.53 -1.84 -0.16 0.00 -0.50 0.00 0.00 54.79 52.81 1n8r n ASP 22 Cb 0.33 2.35 0.12 0.00 -1.14 0.00 0.00 41.12 42.78 1n8r n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1n8r n ASN 23 N -1.21 4.16 0.25 -1.12 6.94 -1.03 -4.66 115.26 118.59 1n8r n ASN 23 Ca -0.03 -3.78 0.15 0.00 -0.02 0.00 0.00 54.58 50.90 1n8r n ASN 23 Cb 0.44 -0.61 0.47 0.00 -2.36 0.00 0.00 39.78 37.72 1n8r n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1n8r h THR 24 N 1.35 0.00 0.00 5.53 1.35 -1.93 -3.45 112.91 115.77 1n8r h THR 24 Ca 0.35 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1n8r h THR 24 Cb 1.49 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1n8r h THR 24 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1n8r n GLY 25 N 0.48 0.92 3.42 5.82 0.00 -1.26 -5.00 105.19 109.56 1n8r n GLY 25 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1n8r n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 26 N -2.00 3.11 -0.23 4.61 0.00 -1.26 -0.55 121.76 125.44 1n8r s ALA 26 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1n8r s ALA 26 Cb 0.00 -2.05 -0.17 0.00 0.00 0.00 0.00 23.12 20.90 1n8r s ALA 26 CO 0.00 -0.53 -0.06 0.54 0.00 0.00 0.00 175.76 175.71 1n8r n ARG 27 N 4.90 0.62 -4.72 0.00 1.74 0.21 -4.52 116.66 114.89 1n8r n ARG 27 Ca -0.16 0.33 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 1n8r n ARG 27 Cb 0.51 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 1n8r n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1n8r s GLU 28 N -2.48 3.28 0.03 5.56 2.12 -0.85 -1.70 118.70 124.66 1n8r s GLU 28 Ca -0.33 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.32 1n8r s GLU 28 Cb 0.10 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1n8r s GLU 28 CO 0.58 0.13 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.82 1n8r s LEU 29 N 0.54 3.01 -0.20 2.70 1.43 0.90 0.23 118.68 127.29 1n8r s LEU 29 Ca -0.10 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1n8r s LEU 29 Cb -0.16 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1n8r s LEU 29 CO 0.04 0.26 -0.12 -0.75 0.23 0.00 0.00 176.35 176.01 1n8r s LYS 30 N -1.54 3.16 0.16 1.70 2.20 -0.16 -0.09 119.74 125.16 1n8r s LYS 30 Ca 0.17 -0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 54.73 1n8r s LYS 30 Cb -0.11 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.33 1n8r s LYS 30 CO 0.08 -0.21 1.42 0.08 -0.36 0.00 0.00 175.35 176.35 1n8r s VAL 31 N 1.38 3.07 -0.08 4.02 1.01 -0.11 -1.77 120.40 127.92 1n8r s VAL 31 Ca 0.05 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 1n8r s VAL 31 Cb -0.14 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1n8r s VAL 31 CO -0.08 0.08 -0.08 -0.38 0.00 0.00 0.00 175.10 174.64 1n8r n ILE 32 N 3.48 0.46 -3.67 2.22 5.41 -0.49 0.14 119.36 126.90 1n8r n ILE 32 Ca 0.10 -0.17 -0.10 0.00 1.00 0.00 0.00 62.75 63.58 1n8r n ILE 32 Cb 0.41 -0.90 -0.05 0.00 -0.71 0.00 0.00 39.64 38.40 1n8r n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1n8r s SER 33 N -4.92 -0.19 -0.26 4.38 0.01 -1.14 -4.78 113.70 106.81 1n8r s SER 33 Ca -0.11 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1n8r s SER 33 Cb 0.03 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.75 1n8r s SER 33 CO 0.18 -0.85 -0.04 -0.69 0.41 0.00 0.00 173.24 172.25 1n8r s VAL 34 N -3.82 3.04 0.22 3.43 1.01 -1.26 0.32 120.40 123.33 1n8r s VAL 34 Ca 0.04 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 1n8r s VAL 34 Cb 0.02 -2.56 -0.15 0.00 0.00 0.00 0.00 36.38 33.69 1n8r s VAL 34 CO -0.11 0.17 1.06 1.57 0.00 0.00 0.00 175.10 177.78 1n8r n HIS 35 N 4.69 1.16 -1.39 5.22 -0.00 0.21 -2.02 115.22 123.09 1n8r n HIS 35 Ca -0.16 0.71 -0.14 0.00 0.46 0.00 0.00 57.72 58.59 1n8r n HIS 35 Cb 0.47 -2.24 -0.06 0.00 -0.12 0.00 0.00 29.99 28.03 1n8r n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n8r n GLY 36 N 1.70 1.37 3.68 1.57 0.00 -1.26 -4.82 105.19 107.43 1n8r n GLY 36 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1n8r n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n8r s TYR 37 N -2.19 3.26 -0.03 1.61 5.04 -0.86 -5.10 117.35 119.09 1n8r s TYR 37 Ca 0.00 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 1n8r s TYR 37 Cb 0.00 -1.94 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1n8r s TYR 37 CO 0.00 0.35 -0.07 -1.54 -1.34 0.00 0.00 175.55 172.95 1n8r s SER 38 N -0.32 1.06 0.00 4.32 1.04 -1.26 -4.91 113.70 113.63 1n8r s SER 38 Ca 0.08 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1n8r s SER 38 Cb -0.12 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1n8r s SER 38 CO 0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1n8r n GLY 39 N 3.42 0.73 3.54 7.32 0.00 -1.26 -5.10 105.19 113.84 1n8r n GLY 39 Ca -0.19 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1n8r n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n8r s THR 40 N 3.15 0.00 0.05 2.61 -1.32 -1.26 -5.07 115.64 113.80 1n8r s THR 40 Ca 0.00 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 1n8r s THR 40 Cb 0.00 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 1n8r s THR 40 CO 0.00 0.00 0.57 1.17 -2.21 0.00 0.00 174.62 174.15 1n8r n LYS 41 N 0.93 0.00 0.00 7.08 4.81 -1.26 -0.73 118.16 129.00 1n8r n LYS 41 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1n8r n LYS 41 Cb 0.57 -0.87 0.00 0.00 0.02 0.00 0.00 35.03 34.75 1n8r n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1n8r n ASN 42 N 1.12 0.00 -4.72 3.14 3.02 -1.26 -4.98 115.26 111.59 1n8r n ASN 42 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1n8r n ASN 42 Cb 0.10 -0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 1n8r n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1n8r s ARG 43 N 0.00 4.59 -0.23 3.52 3.52 0.10 -5.01 118.95 125.44 1n8r s ARG 43 Ca 0.00 1.41 -0.29 0.00 -0.13 0.00 0.00 55.73 56.72 1n8r s ARG 43 Cb 0.00 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1n8r s ARG 43 CO 0.00 0.03 1.24 -1.01 -0.81 0.00 0.00 175.30 174.74 1n8r s HIS 44 N 0.72 2.87 -0.11 5.12 3.76 -1.26 -4.61 115.29 121.78 1n8r s HIS 44 Ca 0.50 1.03 -0.39 0.00 -0.15 0.00 0.00 55.06 56.05 1n8r s HIS 44 Cb -0.22 -3.64 -0.17 0.00 1.11 0.00 0.00 32.58 29.67 1n8r s HIS 44 CO 0.28 -1.49 1.51 -0.35 -0.85 0.00 0.00 174.74 173.84 1n8r n PRO 45 N 6.85 1.00 -4.15 8.40 -0.04 -1.26 -4.76 135.00 141.03 1n8r n PRO 45 Ca 0.14 0.36 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 1n8r n PRO 45 Cb 0.46 -2.00 -0.08 0.00 -0.04 0.00 0.00 33.50 31.84 1n8r n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1n8r s LYS 46 N 1.90 2.86 0.06 0.54 -2.85 -1.26 -1.51 119.74 119.47 1n8r s LYS 46 Ca 0.92 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.27 1n8r s LYS 46 Cb -1.06 -2.72 -0.03 0.00 -2.06 0.00 0.00 37.83 31.96 1n8r s LYS 46 CO 0.58 0.61 -0.05 0.00 0.10 0.00 0.00 175.35 176.58 1n8r s ALA 47 N -1.22 0.56 0.16 0.59 0.00 0.22 -4.91 121.76 117.16 1n8r s ALA 47 Ca 0.24 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1n8r s ALA 47 Cb -0.12 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1n8r s ALA 47 CO 0.15 -0.23 0.30 0.41 0.00 0.00 0.00 175.76 176.40 1n8r n GLY 48 N 0.61 1.79 3.50 0.00 0.00 -1.26 -0.90 105.19 108.92 1n8r n GLY 48 Ca -0.17 -1.18 -0.58 0.00 0.00 0.00 0.00 46.02 44.08 1n8r n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n8r n LEU 49 N 0.00 -0.02 0.00 0.99 0.00 -1.26 -1.29 117.00 115.42 1n8r n LEU 49 Ca -0.03 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.14 1n8r n LEU 49 Cb 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 43.42 42.74 1n8r n LEU 49 CO 0.12 -1.94 0.00 0.61 0.00 0.00 0.00 177.39 176.18 1n8r n GLY 50 N 1.55 1.65 3.87 -3.96 0.00 -0.59 -5.00 105.19 102.71 1n8r n GLY 50 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1n8r n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n8r s ASP 51 N -3.26 6.41 -0.29 1.61 1.01 -0.41 -4.85 116.67 116.90 1n8r s ASP 51 Ca 0.00 1.25 -0.07 0.00 0.71 0.00 0.00 52.55 54.44 1n8r s ASP 51 Cb 0.00 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1n8r s ASP 51 CO 0.00 -0.59 0.08 -0.75 0.21 0.00 0.00 175.17 174.11 1n8r s LYS 52 N -4.42 3.09 0.25 8.23 2.20 -1.26 -1.94 119.74 125.88 1n8r s LYS 52 Ca 0.53 -0.86 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1n8r s LYS 52 Cb -0.10 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1n8r s LYS 52 CO 0.40 -0.44 -0.03 0.96 -0.36 0.00 0.00 175.35 175.88 1n8r s ILE 53 N 1.49 3.35 0.03 5.43 -4.36 -0.26 -0.62 121.20 126.26 1n8r s ILE 53 Ca 0.02 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 58.44 1n8r s ILE 53 Cb -0.17 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 40.72 1n8r s ILE 53 CO 0.02 -0.31 0.36 -0.89 0.24 0.00 0.00 174.94 174.36 1n8r s THR 54 N -2.19 5.13 0.09 8.37 2.01 0.15 -1.22 115.64 127.99 1n8r s THR 54 Ca 0.30 0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.80 1n8r s THR 54 Cb -0.07 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1n8r s THR 54 CO 0.19 0.41 0.01 -0.69 -0.69 0.00 0.00 174.62 173.85 1n8r s VAL 55 N -1.26 0.21 0.10 3.82 1.01 0.32 -1.39 120.40 123.20 1n8r s VAL 55 Ca 0.28 -1.87 0.09 0.00 0.00 0.00 0.00 61.98 60.48 1n8r s VAL 55 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1n8r s VAL 55 CO 0.15 -0.73 -0.24 -0.94 0.00 0.00 0.00 175.10 173.35 1n8r s SER 56 N -2.99 2.88 -0.37 3.32 1.04 -0.73 0.88 113.70 117.72 1n8r s SER 56 Ca 0.16 -0.67 -0.23 0.00 0.48 0.00 0.00 55.95 55.69 1n8r s SER 56 Cb 0.08 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1n8r s SER 56 CO -0.04 0.14 0.76 -0.69 0.98 0.00 0.00 173.24 174.39 1n8r s VAL 57 N -1.03 4.75 -0.13 5.02 1.01 -0.79 -0.99 120.40 128.24 1n8r s VAL 57 Ca 0.10 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.63 1n8r s VAL 57 Cb -0.10 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 31.83 1n8r s VAL 57 CO 0.04 -0.45 0.62 0.74 0.00 0.00 0.00 175.10 176.06 1n8r h THR 58 N 5.77 1.40 -3.94 3.92 2.02 -0.55 -2.05 112.91 119.48 1n8r h THR 58 Ca -0.25 -2.35 -0.47 0.00 0.77 0.00 0.00 66.41 64.11 1n8r h THR 58 Cb 1.10 2.97 -0.22 0.00 -1.74 0.00 0.00 68.15 70.26 1n8r h THR 58 CO 0.90 0.58 -0.80 -0.54 0.37 0.00 0.00 175.52 176.03 1n8r s LYS 59 N -2.34 0.94 0.00 6.66 1.02 -1.09 -4.85 119.74 120.08 1n8r s LYS 59 Ca -0.20 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1n8r s LYS 59 Cb 0.01 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 1n8r s LYS 59 CO 0.71 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.78 1n8r n GLY 60 N 1.22 0.79 3.75 -3.33 0.00 -1.26 -0.62 105.19 105.74 1n8r n GLY 60 Ca -0.21 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1n8r n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8r s THR 61 N -3.02 2.74 0.33 2.61 -4.23 0.29 -4.77 115.64 109.60 1n8r s THR 61 Ca 0.00 0.67 0.10 0.00 -1.18 0.00 0.00 61.69 61.28 1n8r s THR 61 Cb 0.00 -3.43 0.38 0.00 1.34 0.00 0.00 72.50 70.79 1n8r s THR 61 CO 0.00 0.13 1.58 -0.65 -0.54 0.00 0.00 174.62 175.14 1n8r h PRO 62 N 4.35 0.03 0.00 3.99 0.11 -1.95 0.36 132.00 138.89 1n8r h PRO 62 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1n8r h PRO 62 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n8r h PRO 62 CO 0.72 0.02 -0.31 0.93 -0.21 0.00 0.00 178.00 179.16 1n8r h GLU 63 N 0.04 0.00 0.01 1.05 4.39 -1.97 -3.06 114.58 115.04 1n8r h GLU 63 Ca 0.70 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 60.13 1n8r h GLU 63 Cb 1.64 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.25 1n8r h GLU 63 CO -0.83 0.31 -1.49 0.52 -1.16 0.00 0.00 179.01 176.35 1n8r h MET 64 N 0.00 0.02 -6.83 2.33 2.86 -0.67 -3.46 114.93 109.18 1n8r h MET 64 Ca -0.00 -0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.04 1n8r h MET 64 Cb 0.58 0.01 0.14 0.00 0.06 0.00 0.00 31.60 32.39 1n8r h MET 64 CO 0.04 0.69 0.36 0.54 1.06 0.00 0.00 176.91 179.61 1n8r n ARG 65 N -3.17 1.54 -0.62 1.72 1.74 -0.55 -2.32 116.66 115.00 1n8r n ARG 65 Ca -0.12 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1n8r n ARG 65 Cb 1.02 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1n8r n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n8r n ARG 66 N -0.37 0.00 -2.76 5.56 1.74 -0.77 -4.93 116.66 115.12 1n8r n ARG 66 Ca 0.09 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.77 1n8r n ARG 66 Cb 0.42 -3.70 -0.06 0.00 -1.02 0.00 0.00 32.46 28.11 1n8r n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1n8r s GLN 67 N -0.57 4.83 -0.50 5.56 -0.21 -0.98 -4.78 119.66 123.01 1n8r s GLN 67 Ca 0.00 1.47 -0.17 0.00 0.02 0.00 0.00 55.36 56.68 1n8r s GLN 67 Cb 0.00 -3.29 0.08 0.00 1.00 0.00 0.00 33.01 30.81 1n8r s GLN 67 CO 0.00 0.50 0.49 0.08 -2.12 0.00 0.00 175.29 174.24 1n8r s VAL 68 N -1.08 5.12 0.35 1.09 1.01 -1.26 -1.89 120.40 123.75 1n8r s VAL 68 Ca 0.41 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1n8r s VAL 68 Cb -0.26 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.89 1n8r s VAL 68 CO 0.31 -0.73 0.06 0.18 0.00 0.00 0.00 175.10 174.92 1n8r n LEU 69 N 5.50 0.00 -4.53 3.92 4.77 0.25 -4.90 117.00 122.02 1n8r n LEU 69 Ca -0.11 -2.11 -0.31 0.00 -0.03 0.00 0.00 56.01 53.45 1n8r n LEU 69 Cb 0.43 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1n8r n LEU 69 CO 0.51 -0.34 -0.44 -0.70 -1.33 0.00 0.00 177.39 175.08 1n8r s GLU 70 N -3.30 2.18 0.29 3.23 2.12 -1.26 0.12 118.70 122.08 1n8r s GLU 70 Ca 0.05 -0.95 -0.11 0.00 0.36 0.00 0.00 54.97 54.31 1n8r s GLU 70 Cb -0.00 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 32.10 1n8r s GLU 70 CO 0.03 0.54 0.55 0.00 -0.54 0.00 0.00 175.26 175.84 1n8r s ALA 71 N -1.04 -0.16 -0.09 6.30 0.00 -0.36 0.11 121.76 126.52 1n8r s ALA 71 Ca 0.17 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1n8r s ALA 71 Cb -0.11 1.01 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1n8r s ALA 71 CO 0.09 -0.88 -0.17 0.08 0.00 0.00 0.00 175.76 174.88 1n8r s VAL 72 N -3.51 1.58 -0.17 0.00 1.01 -0.71 -1.11 120.40 117.50 1n8r s VAL 72 Ca 0.22 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 1n8r s VAL 72 Cb -0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1n8r s VAL 72 CO 0.12 0.45 1.47 -0.69 0.00 0.00 0.00 175.10 176.45 1n8r s VAL 73 N 0.68 3.91 -0.11 2.92 1.01 -0.82 -1.38 120.40 126.63 1n8r s VAL 73 Ca -0.13 1.08 0.18 0.00 0.00 0.00 0.00 61.98 63.11 1n8r s VAL 73 Cb -0.16 -3.79 -0.27 0.00 0.00 0.00 0.00 36.38 32.16 1n8r s VAL 73 CO 0.03 -0.20 0.43 0.52 0.00 0.00 0.00 175.10 175.88 1n8r n VAL 74 N 5.79 0.00 -3.52 2.92 0.31 0.98 -1.55 118.33 123.26 1n8r n VAL 74 Ca 0.16 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 1n8r n VAL 74 Cb 0.45 0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.52 1n8r n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1n8r s ARG 75 N -3.19 1.12 0.05 5.55 0.52 -0.93 -3.26 118.95 118.80 1n8r s ARG 75 Ca -0.05 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 54.70 1n8r s ARG 75 Cb 0.12 0.51 0.04 0.00 0.52 0.00 0.00 34.95 36.14 1n8r s ARG 75 CO 0.75 -0.43 0.47 1.14 0.02 0.00 0.00 175.30 177.25 1n8r s GLN 76 N -2.74 0.98 0.12 3.54 -2.07 -1.19 -1.71 119.66 116.60 1n8r s GLN 76 Ca -0.04 -0.30 0.01 0.00 -1.82 0.00 0.00 55.36 53.21 1n8r s GLN 76 Cb -0.00 0.44 -0.17 0.00 -1.09 0.00 0.00 33.01 32.19 1n8r s GLN 76 CO -0.04 -0.35 1.26 0.00 -1.32 0.00 0.00 175.29 174.84 1n8r h ARG 77 N 2.88 0.18 -6.93 9.60 3.08 -1.76 -2.14 114.38 119.29 1n8r h ARG 77 Ca -0.31 -0.26 -0.52 0.00 0.07 0.00 0.00 59.98 58.96 1n8r h ARG 77 Cb 1.21 0.09 0.08 0.00 0.08 0.00 0.00 29.97 31.43 1n8r h ARG 77 CO 0.42 1.07 0.61 0.21 -1.07 0.00 0.00 179.97 181.22 1n8r s LYS 78 N -2.86 4.05 0.63 0.04 2.47 -1.26 -4.23 119.74 118.58 1n8r s LYS 78 Ca -0.02 2.15 -0.17 0.00 -1.56 0.00 0.00 55.97 56.36 1n8r s LYS 78 Cb 0.09 -2.81 -0.02 0.00 -1.46 0.00 0.00 37.83 33.63 1n8r s LYS 78 CO 0.85 -0.42 1.17 -2.14 0.16 0.00 0.00 175.35 174.97 1n8r s PRO 79 N -2.16 2.82 -0.01 4.03 0.02 -1.26 -4.71 135.00 133.73 1n8r s PRO 79 Ca 0.55 1.67 0.04 0.00 0.02 0.00 0.00 61.00 63.29 1n8r s PRO 79 Cb -0.38 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.20 1n8r s PRO 79 CO 0.49 -1.29 -0.13 0.96 -0.33 0.00 0.00 177.00 176.70 1n8r s ILE 80 N -1.88 1.01 -0.17 2.83 -4.36 0.58 -4.08 121.20 115.13 1n8r s ILE 80 Ca 0.74 -0.58 -0.16 0.00 -0.26 0.00 0.00 60.65 60.39 1n8r s ILE 80 Cb -0.27 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 1n8r s ILE 80 CO 0.37 0.26 0.40 -0.60 0.24 0.00 0.00 174.94 175.61 1n8r s ARG 81 N -0.37 4.23 0.21 0.37 3.52 -0.60 -1.06 118.95 125.25 1n8r s ARG 81 Ca 0.05 0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1n8r s ARG 81 Cb -0.05 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1n8r s ARG 81 CO -0.00 0.05 0.43 1.03 -0.81 0.00 0.00 175.30 176.00 1n8r s ARG 82 N 1.00 3.56 0.40 5.12 0.52 -0.63 -1.50 118.95 127.43 1n8r s ARG 82 Ca 0.20 -0.21 0.29 0.00 -0.52 0.00 0.00 55.73 55.49 1n8r s ARG 82 Cb -0.14 -2.79 1.35 0.00 0.52 0.00 0.00 34.95 33.88 1n8r s ARG 82 CO 0.08 0.37 1.42 -2.30 0.02 0.00 0.00 175.30 174.89 1n8r n PRO 83 N -0.60 -0.03 -0.25 3.54 -0.02 -1.26 0.11 135.00 136.49 1n8r n PRO 83 Ca -0.04 1.15 0.01 0.00 -2.02 0.00 0.00 63.50 62.61 1n8r n PRO 83 Cb 0.53 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.87 1n8r n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1n8r n ASP 84 N -4.56 2.35 0.00 2.55 5.75 -1.26 -4.87 116.55 116.50 1n8r n ASP 84 Ca 0.37 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1n8r n ASP 84 Cb 1.42 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 1n8r n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n8r n GLY 85 N 0.16 1.93 3.78 6.12 0.00 0.31 -5.00 105.19 112.50 1n8r n GLY 85 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1n8r n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s THR 86 N -2.26 3.37 0.11 2.61 2.01 -1.25 -4.72 115.64 115.52 1n8r s THR 86 Ca 0.00 0.83 0.02 0.00 0.31 0.00 0.00 61.69 62.85 1n8r s THR 86 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1n8r s THR 86 CO 0.00 -0.21 0.21 -0.13 -0.69 0.00 0.00 174.62 173.81 1n8r s ARG 87 N -3.35 3.31 -0.01 4.92 1.81 -1.26 -1.60 118.95 122.77 1n8r s ARG 87 Ca 0.70 -0.58 0.01 0.00 -1.72 0.00 0.00 55.73 54.15 1n8r s ARG 87 Cb -0.21 -2.93 -0.00 0.00 -0.45 0.00 0.00 34.95 31.36 1n8r s ARG 87 CO 0.26 0.56 -0.05 0.08 -0.68 0.00 0.00 175.30 175.47 1n8r s VAL 88 N -1.61 0.38 0.08 3.52 1.01 -0.22 -4.90 120.40 118.65 1n8r s VAL 88 Ca 0.34 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1n8r s VAL 88 Cb -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1n8r s VAL 88 CO 0.27 0.12 0.12 -1.59 0.00 0.00 0.00 175.10 174.02 1n8r s LYS 89 N 0.02 0.79 0.47 2.72 -2.85 -1.26 -0.30 119.74 119.33 1n8r s LYS 89 Ca 0.00 -1.06 0.05 0.00 -1.00 0.00 0.00 55.97 53.96 1n8r s LYS 89 Cb -0.03 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1n8r s LYS 89 CO -0.00 -0.22 0.17 -0.06 0.10 0.00 0.00 175.35 175.33 1n8r s PHE 90 N -3.89 2.13 -0.58 1.78 0.40 -0.81 -5.03 117.98 111.98 1n8r s PHE 90 Ca 0.07 -0.77 0.24 0.00 -0.60 0.00 0.00 56.93 55.87 1n8r s PHE 90 Cb 0.06 -1.83 0.48 0.00 0.51 0.00 0.00 43.02 42.24 1n8r s PHE 90 CO -0.10 0.06 1.53 1.49 0.70 0.00 0.00 175.22 178.90 1n8r h GLU 91 N 1.27 0.00 -3.41 0.44 4.22 -1.93 -3.39 114.58 111.78 1n8r h GLU 91 Ca -0.42 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 58.94 1n8r h GLU 91 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1n8r h GLU 91 CO 0.69 0.00 0.08 0.16 -2.18 0.00 0.00 179.01 177.77 1n8r s ASP 92 N -4.94 0.23 -0.20 1.04 -4.77 -1.26 -4.95 116.67 101.82 1n8r s ASP 92 Ca 0.07 -1.15 -0.08 0.00 -3.30 0.00 0.00 52.55 48.09 1n8r s ASP 92 Cb 0.11 0.75 -0.04 0.00 -1.09 0.00 0.00 42.92 42.65 1n8r s ASP 92 CO 0.67 -1.47 0.07 0.20 0.70 0.00 0.00 175.17 175.35 1n8r s ASN 93 N -3.09 5.57 -0.00 2.11 0.01 -1.26 -3.14 114.94 115.13 1n8r s ASN 93 Ca 0.20 0.02 -0.10 0.00 -0.71 0.00 0.00 52.86 52.27 1n8r s ASN 93 Cb -0.03 -1.97 0.01 0.00 0.41 0.00 0.00 41.25 39.67 1n8r s ASN 93 CO 0.13 0.12 0.20 0.00 -1.51 0.00 0.00 177.10 176.04 1n8r s ALA 94 N 0.70 -0.49 0.05 0.60 0.00 -0.69 -1.22 121.76 120.72 1n8r s ALA 94 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 1n8r s ALA 94 Cb -0.13 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1n8r s ALA 94 CO 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 175.76 175.51 1n8r s ALA 95 N -1.41 0.54 -0.16 0.00 0.00 0.32 -0.01 121.76 121.05 1n8r s ALA 95 Ca -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1n8r s ALA 95 Cb -0.07 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1n8r s ALA 95 CO 0.02 -0.30 -0.17 0.08 0.00 0.00 0.00 175.76 175.39 1n8r s VAL 96 N -3.43 1.78 0.32 0.00 1.01 -0.48 -0.45 120.40 119.15 1n8r s VAL 96 Ca 0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1n8r s VAL 96 Cb 0.04 -1.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.67 1n8r s VAL 96 CO -0.07 0.49 1.47 -0.38 0.00 0.00 0.00 175.10 176.61 1n8r n ILE 97 N 4.67 1.48 -4.38 2.22 5.41 -1.26 -1.73 119.36 125.76 1n8r n ILE 97 Ca -0.19 -0.37 -0.19 0.00 1.00 0.00 0.00 62.75 63.00 1n8r n ILE 97 Cb 0.50 -1.81 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 1n8r n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1n8r s VAL 98 N -0.54 1.01 0.00 1.39 0.11 0.12 -1.55 120.40 120.94 1n8r s VAL 98 Ca 0.60 -2.01 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1n8r s VAL 98 Cb -0.53 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1n8r s VAL 98 CO 0.56 -0.10 0.00 -0.90 -3.33 0.00 0.00 175.10 171.33 1n8r n ASP 99 N -0.56 0.96 -0.31 3.54 5.68 -1.06 -4.10 116.55 120.70 1n8r n ASP 99 Ca -0.03 -0.42 0.04 0.00 -0.50 0.00 0.00 54.79 53.89 1n8r n ASP 99 Cb 0.66 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.87 1n8r n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1n8r h GLU 100 N 0.00 1.01 -0.03 0.11 5.08 -1.98 -1.13 114.58 117.64 1n8r h GLU 100 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n8r h GLU 100 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1n8r h GLU 100 CO 0.00 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.77 1n8r n ASN 101 N -4.49 1.32 -0.85 1.42 3.02 -1.26 -4.92 115.26 109.50 1n8r n ASN 101 Ca 0.14 -1.47 -0.08 0.00 -0.03 0.00 0.00 54.58 53.14 1n8r n ASN 101 Cb 0.20 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1n8r n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n8r n GLU 102 N 0.04 -0.63 -3.64 3.52 1.02 -0.43 -5.01 120.64 115.51 1n8r n GLU 102 Ca 0.19 0.51 -0.36 0.00 -0.02 0.00 0.00 57.16 57.48 1n8r n GLU 102 Cb 0.32 -4.43 -0.07 0.00 -0.02 0.00 0.00 31.44 27.23 1n8r n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1n8r s ASP 103 N -2.71 6.39 0.21 1.62 1.01 -1.26 -4.45 116.67 117.48 1n8r s ASP 103 Ca 0.00 0.45 -0.31 0.00 0.71 0.00 0.00 52.55 53.40 1n8r s ASP 103 Cb 0.00 -2.14 -0.15 0.00 1.01 0.00 0.00 42.92 41.64 1n8r s ASP 103 CO 0.00 0.18 1.17 -0.81 0.21 0.00 0.00 175.17 175.92 1n8r n PRO 104 N 3.23 1.37 0.04 8.23 -0.04 -1.26 -2.57 135.00 144.00 1n8r n PRO 104 Ca -0.14 0.49 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1n8r n PRO 104 Cb 0.52 -1.98 0.26 0.00 -0.04 0.00 0.00 33.50 32.26 1n8r n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1n8r h ARG 105 N 3.21 0.41 0.00 0.54 2.43 -1.58 -3.45 114.38 115.94 1n8r h ARG 105 Ca -0.43 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1n8r h ARG 105 Cb 1.33 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1n8r h ARG 105 CO 0.69 0.59 0.00 0.41 -1.51 0.00 0.00 179.97 180.15 1n8r n GLY 106 N -0.56 0.23 0.06 2.80 0.00 -1.26 -4.97 105.19 101.48 1n8r n GLY 106 Ca -0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.09 1n8r n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n8r n THR 107 N -1.44 0.74 -4.38 2.61 -1.04 -1.26 -5.02 114.28 104.50 1n8r n THR 107 Ca 0.00 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.05 61.37 1n8r n THR 107 Cb 0.00 -0.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.63 1n8r n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1n8r s GLU 108 N -2.26 0.96 -0.23 -2.82 2.02 -1.26 -5.04 118.70 110.06 1n8r s GLU 108 Ca -0.07 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.08 1n8r s GLU 108 Cb 0.03 -0.97 -0.04 0.00 0.10 0.00 0.00 34.13 33.25 1n8r s GLU 108 CO 0.43 0.24 0.12 -0.51 0.02 0.00 0.00 175.26 175.55 1n8r s LEU 109 N -1.10 3.92 -0.12 1.80 1.43 -1.26 -2.45 118.68 120.90 1n8r s LEU 109 Ca 0.02 0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 1n8r s LEU 109 Cb -0.08 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1n8r s LEU 109 CO 0.01 0.08 0.56 -0.54 0.23 0.00 0.00 176.35 176.69 1n8r s LYS 110 N 0.97 4.34 0.00 1.70 1.02 -1.08 -4.59 119.74 122.10 1n8r s LYS 110 Ca 0.06 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1n8r s LYS 110 Cb -0.14 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1n8r s LYS 110 CO 0.03 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 1n8r n GLY 111 N 3.32 -1.22 3.80 -3.33 0.00 -1.26 -4.70 105.19 101.81 1n8r n GLY 111 Ca -0.05 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1n8r n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n8r s PRO 112 N -1.25 2.04 0.02 1.61 0.04 -1.26 -4.44 135.00 131.75 1n8r s PRO 112 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1n8r s PRO 112 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1n8r s PRO 112 CO 0.00 -1.65 -0.03 0.42 0.04 0.00 0.00 177.00 175.78 1n8r s ILE 113 N -3.15 0.12 0.23 0.56 1.01 -0.63 -4.90 121.20 114.43 1n8r s ILE 113 Ca 0.61 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1n8r s ILE 113 Cb -0.14 -0.22 -0.09 0.00 0.01 0.00 0.00 42.46 42.01 1n8r s ILE 113 CO 0.54 -0.37 1.17 0.00 0.00 0.00 0.00 174.94 176.29 1n8r s ALA 114 N -1.09 3.43 0.24 9.38 0.00 -1.20 -1.41 121.76 131.10 1n8r s ALA 114 Ca -0.12 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1n8r s ALA 114 Cb -0.08 -3.39 0.36 0.00 0.00 0.00 0.00 23.12 20.02 1n8r s ALA 114 CO -0.01 -0.32 1.83 0.07 0.00 0.00 0.00 175.76 177.34 1n8r h ARG 115 N 4.62 0.85 -0.91 0.00 0.11 -1.86 -1.38 114.38 115.81 1n8r h ARG 115 Ca -0.46 -0.05 0.23 0.00 0.10 0.00 0.00 59.98 59.80 1n8r h ARG 115 Cb 1.21 -0.19 -0.06 0.00 1.11 0.00 0.00 29.97 32.04 1n8r h ARG 115 CO 0.71 0.56 0.62 0.93 0.10 0.00 0.00 179.97 182.89 1n8r h GLU 116 N 0.87 0.25 0.00 0.08 3.07 -1.88 0.29 114.58 117.25 1n8r h GLU 116 Ca 0.38 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1n8r h GLU 116 Cb 0.26 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1n8r h GLU 116 CO -0.21 0.16 -0.07 0.28 -1.40 0.00 0.00 179.01 177.78 1n8r h VAL 117 N 0.25 0.57 -0.12 3.13 2.07 -1.57 -2.47 116.25 118.11 1n8r h VAL 117 Ca 0.47 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1n8r h VAL 117 Cb 1.40 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1n8r h VAL 117 CO -0.13 0.07 0.03 0.00 0.02 0.00 0.00 177.57 177.56 1n8r h ALA 118 N 1.93 0.16 0.00 1.67 0.00 -0.54 -1.62 119.26 120.86 1n8r h ALA 118 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n8r h ALA 118 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n8r h ALA 118 CO 0.01 -0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.08 1n8r n GLN 119 N -4.86 0.00 0.00 0.00 6.02 -0.93 -3.03 117.38 114.58 1n8r n GLN 119 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1n8r n GLN 119 Cb 0.15 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1n8r n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1n8r n ARG 120 N -0.73 0.00 -3.83 -1.09 1.74 -1.05 -4.83 116.66 106.88 1n8r n ARG 120 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1n8r n ARG 120 Cb 0.00 -0.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.80 1n8r n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1n8r s PHE 121 N -1.72 2.84 0.10 -1.55 0.40 -0.64 -5.00 117.98 112.42 1n8r s PHE 121 Ca 0.00 -2.97 -0.30 0.00 -0.60 0.00 0.00 56.93 53.05 1n8r s PHE 121 Cb 0.00 -2.39 -0.12 0.00 0.51 0.00 0.00 43.02 41.02 1n8r s PHE 121 CO 0.00 -0.69 1.61 0.78 0.70 0.00 0.00 175.22 177.62 1n8r h GLY 122 N 6.11 -0.76 1.84 4.36 0.00 -1.82 -0.98 103.07 111.82 1n8r h GLY 122 Ca 0.04 0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.79 1n8r h GLY 122 CO 0.62 -0.28 0.06 1.48 0.00 0.00 0.00 176.54 178.42 1n8r h SER 123 N -0.67 0.00 -0.19 0.19 4.64 -1.93 0.51 113.55 116.10 1n8r h SER 123 Ca -0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1n8r h SER 123 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1n8r h SER 123 CO -0.11 0.00 -0.52 0.58 -0.87 0.00 0.00 176.83 175.92 1n8r h VAL 124 N 0.00 1.32 0.03 0.95 2.07 -1.62 -3.25 116.25 115.74 1n8r h VAL 124 Ca 0.03 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1n8r h VAL 124 Cb 0.15 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1n8r h VAL 124 CO -0.00 0.55 -0.01 0.00 0.02 0.00 0.00 177.57 178.12 1n8r h ALA 125 N 0.58 -0.04 0.00 1.67 0.00 0.61 -2.84 119.26 119.24 1n8r h ALA 125 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1n8r h ALA 125 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1n8r h ALA 125 CO 0.11 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 177.87 1n8r n SER 126 N -4.96 0.28 0.00 0.00 3.41 0.15 -0.10 113.62 112.41 1n8r n SER 126 Ca -0.08 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1n8r n SER 126 Cb 0.18 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1n8r n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n8r n ALA 127 N 0.15 1.30 -1.82 7.33 0.00 -1.07 -5.01 120.51 121.37 1n8r n ALA 127 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 1n8r n ALA 127 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 1n8r n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n8r s ALA 128 N -0.12 3.04 -0.16 0.00 0.00 0.86 -4.06 121.76 121.32 1n8r s ALA 128 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 1n8r s ALA 128 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 1n8r s ALA 128 CO 0.00 0.05 -0.05 1.15 0.00 0.00 0.00 175.76 176.91 1n8r h THR 129 N 1.71 0.26 -4.16 0.00 2.02 -1.81 -3.47 112.91 107.47 1n8r h THR 129 Ca -0.49 -1.33 -0.69 0.00 0.77 0.00 0.00 66.41 64.67 1n8r h THR 129 Cb 1.18 0.63 -0.31 0.00 -1.74 0.00 0.00 68.15 67.91 1n8r h THR 129 CO 0.61 0.09 -0.89 -0.04 0.37 0.00 0.00 175.52 175.66 1n8r s MET 130 N -2.24 2.43 -0.30 6.66 -1.94 -1.26 -5.09 119.30 117.56 1n8r s MET 130 Ca -0.18 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 1n8r s MET 130 Cb 0.03 -2.12 0.09 0.00 2.01 0.00 0.00 34.83 34.84 1n8r s MET 130 CO 0.31 0.42 0.06 0.42 -0.01 0.00 0.00 175.02 176.23 1n8r s ILE 131 N -0.27 1.20 -2.15 2.53 1.01 -1.26 -1.61 121.20 120.65 1n8r s ILE 131 Ca -0.00 -1.49 0.31 0.00 0.00 0.00 0.00 60.65 59.46 1n8r s ILE 131 Cb -0.13 -1.83 0.80 0.00 0.01 0.00 0.00 42.46 41.32 1n8r s ILE 131 CO 0.03 -0.55 2.09 0.52 0.00 0.00 0.00 174.94 177.02