#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s GLU 2 N 0.00 4.55 0.16 0.03 2.02 -1.26 -4.97 118.70 119.23 1k9m s GLU 2 Ca 0.00 1.61 -0.34 0.00 0.02 0.00 0.00 54.97 56.26 1k9m s GLU 2 Cb 0.00 -2.99 -0.15 0.00 0.10 0.00 0.00 34.13 31.09 1k9m s GLU 2 CO 0.00 0.19 1.46 0.00 0.02 0.00 0.00 175.26 176.93 1k9m n ALA 3 N 0.85 0.59 0.22 5.21 0.00 -1.26 -4.85 120.51 121.27 1k9m n ALA 3 Ca 0.01 0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.99 1k9m n ALA 3 Cb 0.47 -2.25 0.51 0.00 0.00 0.00 0.00 19.45 18.19 1k9m n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1k9m h LEU 4 N 5.13 0.00 -0.19 0.00 3.38 -1.93 -3.47 115.31 118.24 1k9m h LEU 4 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 1k9m h LEU 4 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 1k9m h LEU 4 CO 0.83 0.25 -0.08 0.61 0.09 0.00 0.00 178.44 180.13 1k9m n GLY 5 N -0.34 0.47 3.63 0.83 0.00 -1.26 -4.69 105.19 103.83 1k9m n GLY 5 Ca -0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1k9m n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m s ALA 6 N -2.54 -2.11 -0.05 4.61 0.00 -1.26 -4.49 121.76 115.93 1k9m s ALA 6 Ca 0.04 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 1k9m s ALA 6 Cb -0.02 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1k9m s ALA 6 CO 0.04 -0.20 0.50 -0.51 0.00 0.00 0.00 175.76 175.59 1k9m s ASP 7 N -0.42 6.81 -0.02 0.00 1.01 -0.71 -4.94 116.67 118.40 1k9m s ASP 7 Ca 0.06 0.96 0.08 0.00 0.71 0.00 0.00 52.55 54.36 1k9m s ASP 7 Cb -0.03 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 1k9m s ASP 7 CO -0.09 0.12 -0.25 -0.69 0.21 0.00 0.00 175.17 174.47 1k9m s VAL 8 N -0.08 1.96 -0.50 -1.27 1.01 -1.26 -1.30 120.40 118.96 1k9m s VAL 8 Ca 0.27 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1k9m s VAL 8 Cb -0.17 -1.63 0.13 0.00 0.00 0.00 0.00 36.38 34.71 1k9m s VAL 8 CO 0.13 0.55 0.39 -0.89 0.00 0.00 0.00 175.10 175.28 1k9m s THR 9 N -0.59 4.41 -0.06 3.92 2.01 -1.26 -5.03 115.64 119.05 1k9m s THR 9 Ca 0.10 -1.78 -0.39 0.00 0.31 0.00 0.00 61.69 59.92 1k9m s THR 9 Cb -0.10 -3.89 -0.18 0.00 0.01 0.00 0.00 72.50 68.35 1k9m s THR 9 CO -0.01 -0.80 1.33 0.00 -0.69 0.00 0.00 174.62 174.45 1k9m n GLN 10 N 4.91 0.64 -0.06 4.92 3.00 -1.26 -4.80 117.38 124.73 1k9m n GLN 10 Ca -0.08 0.23 0.07 0.00 -0.01 0.00 0.00 57.00 57.21 1k9m n GLN 10 Cb 0.41 -1.82 0.10 0.00 0.00 0.00 0.00 30.24 28.93 1k9m n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k9m n GLY 11 N 2.56 0.76 3.30 1.08 0.00 -1.05 -4.89 105.19 106.95 1k9m n GLY 11 Ca 0.21 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1k9m n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9m s LEU 12 N -1.14 2.41 0.15 0.99 1.43 0.48 -4.92 118.68 118.08 1k9m s LEU 12 Ca 0.20 -0.83 0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1k9m s LEU 12 Cb 0.13 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1k9m s LEU 12 CO 0.19 -0.06 -0.14 -1.61 0.23 0.00 0.00 176.35 174.96 1k9m s GLU 13 N -2.67 1.10 0.18 1.70 2.02 -1.26 0.23 118.70 119.99 1k9m s GLU 13 Ca 0.12 -1.36 -0.33 0.00 0.02 0.00 0.00 54.97 53.42 1k9m s GLU 13 Cb -0.06 -0.91 -0.14 0.00 0.10 0.00 0.00 34.13 33.12 1k9m s GLU 13 CO 0.05 0.16 1.41 1.17 0.02 0.00 0.00 175.26 178.07 1k9m n LYS 14 N 0.19 1.78 -0.09 1.61 4.81 -0.40 -0.68 118.16 125.38 1k9m n LYS 14 Ca -0.13 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1k9m n LYS 14 Cb 0.58 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1k9m n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k9m n GLY 15 N 2.60 0.59 3.74 3.14 0.00 0.59 -4.96 105.19 110.89 1k9m n GLY 15 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1k9m n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k9m s SER 16 N -2.67 7.33 -0.27 1.61 0.01 0.15 -4.77 113.70 115.10 1k9m s SER 16 Ca 0.00 2.03 -0.16 0.00 1.31 0.00 0.00 55.95 59.14 1k9m s SER 16 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1k9m s SER 16 CO 0.00 -0.17 0.41 -0.76 0.41 0.00 0.00 173.24 173.12 1k9m s LEU 17 N -0.36 4.04 0.38 2.44 1.43 -1.26 -1.65 118.68 123.69 1k9m s LEU 17 Ca 0.48 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1k9m s LEU 17 Cb -0.28 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1k9m s LEU 17 CO 0.34 -0.21 0.08 0.27 0.23 0.00 0.00 176.35 177.06 1k9m s ILE 18 N 2.12 1.02 0.21 -0.59 -4.36 0.38 -4.96 121.20 115.02 1k9m s ILE 18 Ca 0.16 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.35 1k9m s ILE 18 Cb -0.16 -2.59 -0.08 0.00 1.25 0.00 0.00 42.46 40.88 1k9m s ILE 18 CO 0.10 0.00 0.73 -0.89 0.24 0.00 0.00 174.94 175.12 1k9m s THR 19 N -3.20 4.54 -0.67 8.37 2.01 -0.46 -0.85 115.64 125.38 1k9m s THR 19 Ca 0.29 1.34 -0.16 0.00 0.31 0.00 0.00 61.69 63.47 1k9m s THR 19 Cb 0.06 -3.89 0.15 0.00 0.01 0.00 0.00 72.50 68.83 1k9m s THR 19 CO 0.14 0.25 0.68 0.00 -0.69 0.00 0.00 174.62 175.01 1k9m n ALA 21 N 5.20 6.69 -3.82 0.00 0.00 -0.72 -4.79 120.51 123.07 1k9m n ALA 21 Ca -0.01 -2.95 -0.08 0.00 0.00 0.00 0.00 53.44 50.40 1k9m n ALA 21 Cb 0.43 -3.17 0.02 0.00 0.00 0.00 0.00 19.45 16.74 1k9m n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k9m s ASP 22 N 2.46 -0.01 -0.47 0.00 1.47 -1.26 -2.38 116.67 116.49 1k9m s ASP 22 Ca 0.61 -1.04 0.03 0.00 1.18 0.00 0.00 52.55 53.34 1k9m s ASP 22 Cb 0.17 0.78 0.50 0.00 -0.34 0.00 0.00 42.92 44.04 1k9m s ASP 22 CO -0.05 -1.55 1.71 -0.46 0.68 0.00 0.00 175.17 175.50 1k9m n ASN 23 N -1.33 5.26 0.21 2.11 6.94 -0.90 -4.62 115.26 122.93 1k9m n ASN 23 Ca -0.07 -3.75 0.09 0.00 -0.02 0.00 0.00 54.58 50.83 1k9m n ASN 23 Cb 0.60 -0.74 0.39 0.00 -2.36 0.00 0.00 39.78 37.66 1k9m n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1k9m h THR 24 N 1.26 0.52 0.00 5.53 1.35 -1.93 -3.45 112.91 116.19 1k9m h THR 24 Ca 0.48 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1k9m h THR 24 Cb 1.52 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1k9m h THR 24 CO 1.07 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 177.18 1k9m n GLY 25 N 0.38 0.85 3.59 5.82 0.00 -1.26 -5.02 105.19 109.55 1k9m n GLY 25 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1k9m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m s ALA 26 N -2.00 3.47 -0.21 4.61 0.00 -1.26 -1.04 121.76 125.33 1k9m s ALA 26 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 1k9m s ALA 26 Cb 0.00 -2.28 -0.12 0.00 0.00 0.00 0.00 23.12 20.71 1k9m s ALA 26 CO 0.00 -0.34 -0.09 0.54 0.00 0.00 0.00 175.76 175.88 1k9m n ARG 27 N 4.61 0.54 -4.55 0.00 1.74 -0.25 -4.55 116.66 114.19 1k9m n ARG 27 Ca -0.15 0.44 -0.34 0.00 -0.77 0.00 0.00 57.85 57.03 1k9m n ARG 27 Cb 0.52 -1.63 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 1k9m n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1k9m s GLU 28 N -2.44 3.30 0.05 5.56 2.12 -1.03 -0.73 118.70 125.53 1k9m s GLU 28 Ca -0.29 -0.56 0.09 0.00 0.36 0.00 0.00 54.97 54.57 1k9m s GLU 28 Cb 0.07 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 1k9m s GLU 28 CO 0.47 0.38 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.81 1k9m s LEU 29 N -0.04 2.27 -0.20 2.70 1.43 -0.03 -1.24 118.68 123.56 1k9m s LEU 29 Ca 0.00 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1k9m s LEU 29 Cb -0.13 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1k9m s LEU 29 CO 0.03 0.25 -0.11 -0.75 0.23 0.00 0.00 176.35 176.00 1k9m s LYS 30 N -1.34 3.23 0.22 1.70 2.20 0.33 -0.47 119.74 125.61 1k9m s LYS 30 Ca 0.12 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 1k9m s LYS 30 Cb -0.10 -2.82 -0.10 0.00 -1.51 0.00 0.00 37.83 33.30 1k9m s LYS 30 CO 0.03 -0.18 1.45 0.08 -0.36 0.00 0.00 175.35 176.37 1k9m s VAL 31 N 1.34 2.72 -0.01 4.02 1.01 -0.66 -1.36 120.40 127.46 1k9m s VAL 31 Ca 0.04 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1k9m s VAL 31 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1k9m s VAL 31 CO -0.06 0.08 0.00 -0.38 0.00 0.00 0.00 175.10 174.74 1k9m n ILE 32 N 2.73 0.05 -3.46 2.22 5.41 -0.41 -0.30 119.36 125.60 1k9m n ILE 32 Ca 0.08 -0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.70 1k9m n ILE 32 Cb 0.40 -0.89 -0.02 0.00 -0.71 0.00 0.00 39.64 38.42 1k9m n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1k9m s SER 33 N -3.28 -0.47 -0.19 4.38 0.01 -1.16 -4.82 113.70 108.16 1k9m s SER 33 Ca -0.01 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 1k9m s SER 33 Cb 0.00 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.72 1k9m s SER 33 CO 0.03 -0.79 -0.09 -0.69 0.41 0.00 0.00 173.24 172.11 1k9m s VAL 34 N -3.34 3.12 0.34 3.43 1.01 -1.26 0.09 120.40 123.80 1k9m s VAL 34 Ca 0.02 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1k9m s VAL 34 Cb -0.01 -2.38 -0.12 0.00 0.00 0.00 0.00 36.38 33.87 1k9m s VAL 34 CO -0.10 0.47 1.31 1.57 0.00 0.00 0.00 175.10 178.34 1k9m n HIS 35 N 4.38 2.34 -1.56 5.22 -0.00 -0.01 -2.54 115.22 123.04 1k9m n HIS 35 Ca -0.19 0.54 -0.13 0.00 0.46 0.00 0.00 57.72 58.41 1k9m n HIS 35 Cb 0.51 -2.42 -0.05 0.00 -0.12 0.00 0.00 29.99 27.91 1k9m n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1k9m n GLY 36 N 0.75 0.98 3.70 1.57 0.00 -1.26 -4.85 105.19 106.09 1k9m n GLY 36 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1k9m n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k9m s TYR 37 N -2.22 3.19 -0.04 1.61 5.04 -1.05 -5.09 117.35 118.79 1k9m s TYR 37 Ca 0.00 0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.83 1k9m s TYR 37 Cb 0.00 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.55 1k9m s TYR 37 CO 0.00 0.49 0.04 -1.54 -1.34 0.00 0.00 175.55 173.21 1k9m s SER 38 N -0.94 0.86 0.00 4.32 1.04 -1.26 -4.92 113.70 112.80 1k9m s SER 38 Ca 0.14 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1k9m s SER 38 Cb -0.11 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1k9m s SER 38 CO 0.03 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1k9m n GLY 39 N 4.94 0.76 3.56 7.32 0.00 -1.26 -5.12 105.19 115.39 1k9m n GLY 39 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1k9m n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k9m s THR 40 N 1.15 0.00 -0.10 2.61 -1.32 -1.26 -5.05 115.64 111.66 1k9m s THR 40 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1k9m s THR 40 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1k9m s THR 40 CO 0.00 0.00 0.77 1.17 -2.21 0.00 0.00 174.62 174.35 1k9m n LYS 41 N 0.76 0.00 0.00 7.08 4.81 -1.26 -0.06 118.16 129.49 1k9m n LYS 41 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1k9m n LYS 41 Cb 0.58 -0.93 0.00 0.00 0.02 0.00 0.00 35.03 34.69 1k9m n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1k9m n ASN 42 N 1.43 0.00 -4.68 3.14 3.02 -1.26 -4.99 115.26 111.92 1k9m n ASN 42 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 1k9m n ASN 42 Cb 0.02 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 1k9m n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1k9m s ARG 43 N 0.00 4.34 0.02 3.52 3.52 0.91 -4.99 118.95 126.28 1k9m s ARG 43 Ca 0.00 1.65 -0.30 0.00 -0.13 0.00 0.00 55.73 56.95 1k9m s ARG 43 Cb 0.00 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1k9m s ARG 43 CO 0.00 -0.47 1.40 -1.01 -0.81 0.00 0.00 175.30 174.41 1k9m s HIS 44 N 2.36 2.92 0.05 5.12 3.76 -1.26 -4.52 115.29 123.72 1k9m s HIS 44 Ca 0.55 0.84 -0.33 0.00 -0.15 0.00 0.00 55.06 55.97 1k9m s HIS 44 Cb -0.24 -3.67 -0.12 0.00 1.11 0.00 0.00 32.58 29.66 1k9m s HIS 44 CO 0.21 -2.45 1.78 -0.35 -0.85 0.00 0.00 174.74 173.08 1k9m n PRO 45 N 5.09 2.38 -4.08 8.40 -0.04 -1.26 -4.83 135.00 140.66 1k9m n PRO 45 Ca 0.13 0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 64.13 1k9m n PRO 45 Cb 0.43 -2.71 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 1k9m n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1k9m s LYS 46 N 2.78 3.03 0.06 0.54 -2.85 -1.26 -1.28 119.74 120.75 1k9m s LYS 46 Ca 0.85 -0.53 0.02 0.00 -1.00 0.00 0.00 55.97 55.31 1k9m s LYS 46 Cb -0.61 -2.83 -0.03 0.00 -2.06 0.00 0.00 37.83 32.30 1k9m s LYS 46 CO 0.43 0.63 -0.08 0.00 0.10 0.00 0.00 175.35 176.43 1k9m s ALA 47 N -1.25 0.68 0.00 0.59 0.00 0.13 -4.91 121.76 117.00 1k9m s ALA 47 Ca 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1k9m s ALA 47 Cb -0.12 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1k9m s ALA 47 CO 0.16 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1k9m n GLY 48 N 1.12 2.90 3.57 0.00 0.00 -1.26 -0.39 105.19 111.13 1k9m n GLY 48 Ca -0.20 -1.22 -0.47 0.00 0.00 0.00 0.00 46.02 44.13 1k9m n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9m n LEU 49 N 0.00 1.42 0.00 0.99 4.77 -1.26 -1.67 117.00 121.24 1k9m n LEU 49 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1k9m n LEU 49 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1k9m n LEU 49 CO 0.00 -1.48 0.00 0.61 -1.33 0.00 0.00 177.39 175.19 1k9m n GLY 50 N 1.66 1.82 3.83 -0.72 0.00 -0.63 -4.99 105.19 106.17 1k9m n GLY 50 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1k9m n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9m s ASP 51 N -3.35 6.92 -0.25 1.61 1.01 -0.67 -4.84 116.67 117.09 1k9m s ASP 51 Ca 0.00 1.33 -0.15 0.00 0.71 0.00 0.00 52.55 54.44 1k9m s ASP 51 Cb 0.00 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1k9m s ASP 51 CO 0.00 -0.06 0.35 -0.75 0.21 0.00 0.00 175.17 174.93 1k9m s LYS 52 N -2.39 4.05 0.23 8.23 2.20 -1.26 -1.92 119.74 128.88 1k9m s LYS 52 Ca 0.47 0.04 0.11 0.00 -0.36 0.00 0.00 55.97 56.23 1k9m s LYS 52 Cb -0.14 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1k9m s LYS 52 CO 0.19 -0.19 -0.21 0.96 -0.36 0.00 0.00 175.35 175.75 1k9m s ILE 53 N 1.80 2.30 0.10 5.43 -4.36 -0.60 -0.83 121.20 125.04 1k9m s ILE 53 Ca 0.15 -2.22 -0.09 0.00 -0.26 0.00 0.00 60.65 58.23 1k9m s ILE 53 Cb -0.15 -2.17 -0.06 0.00 1.25 0.00 0.00 42.46 41.33 1k9m s ILE 53 CO 0.09 -0.32 0.41 -0.89 0.24 0.00 0.00 174.94 174.47 1k9m s THR 54 N -2.24 5.09 0.10 8.37 2.01 0.11 -1.13 115.64 127.96 1k9m s THR 54 Ca 0.25 0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 1k9m s THR 54 Cb -0.06 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1k9m s THR 54 CO 0.12 0.23 0.19 -0.69 -0.69 0.00 0.00 174.62 173.78 1k9m s VAL 55 N -1.46 0.13 0.07 3.82 1.01 0.89 -1.28 120.40 123.58 1k9m s VAL 55 Ca 0.35 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 61.14 1k9m s VAL 55 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1k9m s VAL 55 CO 0.19 -0.60 -0.22 -0.94 0.00 0.00 0.00 175.10 173.54 1k9m s SER 56 N -2.89 2.65 -0.33 3.32 1.04 -0.47 -0.06 113.70 116.97 1k9m s SER 56 Ca 0.08 -0.61 -0.22 0.00 0.48 0.00 0.00 55.95 55.68 1k9m s SER 56 Cb 0.05 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1k9m s SER 56 CO -0.08 0.14 0.74 -0.69 0.98 0.00 0.00 173.24 174.32 1k9m s VAL 57 N -0.96 4.81 -0.08 5.02 1.01 -0.93 -0.51 120.40 128.76 1k9m s VAL 57 Ca 0.08 0.96 -0.10 0.00 0.00 0.00 0.00 61.98 62.92 1k9m s VAL 57 Cb -0.09 -4.13 -0.29 0.00 0.00 0.00 0.00 36.38 31.87 1k9m s VAL 57 CO 0.03 -0.29 0.53 0.74 0.00 0.00 0.00 175.10 176.11 1k9m h THR 58 N 5.64 0.81 -3.98 3.92 2.02 -1.51 -1.75 112.91 118.07 1k9m h THR 58 Ca -0.25 -2.43 -0.41 0.00 0.77 0.00 0.00 66.41 64.09 1k9m h THR 58 Cb 1.10 2.65 -0.23 0.00 -1.74 0.00 0.00 68.15 69.94 1k9m h THR 58 CO 0.87 0.87 -0.78 -0.54 0.37 0.00 0.00 175.52 176.31 1k9m s LYS 59 N -2.56 0.82 0.00 6.66 1.02 -1.14 -4.90 119.74 119.64 1k9m s LYS 59 Ca -0.19 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1k9m s LYS 59 Cb 0.06 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 1k9m s LYS 59 CO 0.81 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1k9m n GLY 60 N 1.52 0.94 3.75 -3.33 0.00 -1.26 -1.09 105.19 105.72 1k9m n GLY 60 Ca -0.20 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1k9m n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k9m s THR 61 N -2.69 2.27 0.34 2.61 -4.23 -0.20 -4.74 115.64 109.00 1k9m s THR 61 Ca 0.00 0.23 0.14 0.00 -1.18 0.00 0.00 61.69 60.88 1k9m s THR 61 Cb 0.00 -3.15 0.37 0.00 1.34 0.00 0.00 72.50 71.06 1k9m s THR 61 CO 0.00 0.04 1.54 -2.65 -0.54 0.00 0.00 174.62 173.00 1k9m n PRO 62 N 2.18 -0.07 0.15 3.99 -0.02 -1.26 0.20 135.00 140.18 1k9m n PRO 62 Ca 0.07 1.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.95 1k9m n PRO 62 Cb 0.38 -2.38 0.26 0.00 -0.02 0.00 0.00 33.50 31.74 1k9m n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1k9m h GLU 63 N 0.00 0.03 0.00 -0.52 4.39 -1.98 -3.07 114.58 113.43 1k9m h GLU 63 Ca 0.74 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 60.32 1k9m h GLU 63 Cb 1.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.47 1k9m h GLU 63 CO -0.81 0.51 -0.99 0.52 -1.16 0.00 0.00 179.01 177.07 1k9m h MET 64 N 0.02 0.00 -6.98 2.33 2.86 -0.59 -3.45 114.93 109.12 1k9m h MET 64 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.10 1k9m h MET 64 Cb 0.86 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.62 1k9m h MET 64 CO 0.06 0.26 0.63 1.03 1.06 0.00 0.00 176.91 179.96 1k9m s ARG 65 N -3.05 3.77 0.00 1.72 0.52 -0.49 -2.75 118.95 118.68 1k9m s ARG 65 Ca 0.00 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1k9m s ARG 65 Cb 0.08 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.91 1k9m s ARG 65 CO 0.78 -0.68 0.00 0.54 0.02 0.00 0.00 175.30 175.96 1k9m n ARG 66 N -0.14 0.00 -2.73 3.54 1.74 -0.66 -4.95 116.66 113.46 1k9m n ARG 66 Ca 0.05 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 1k9m n ARG 66 Cb 0.43 -3.09 -0.05 0.00 -1.02 0.00 0.00 32.46 28.73 1k9m n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1k9m s GLN 67 N -0.29 4.80 -0.46 5.56 -0.21 -1.11 -4.76 119.66 123.20 1k9m s GLN 67 Ca 0.00 1.49 -0.18 0.00 0.02 0.00 0.00 55.36 56.70 1k9m s GLN 67 Cb 0.00 -3.31 0.04 0.00 1.00 0.00 0.00 33.01 30.75 1k9m s GLN 67 CO 0.00 0.42 0.50 0.08 -2.12 0.00 0.00 175.29 174.16 1k9m s VAL 68 N -0.83 5.04 0.36 1.09 1.01 -1.26 -2.20 120.40 123.61 1k9m s VAL 68 Ca 0.43 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1k9m s VAL 68 Cb -0.25 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1k9m s VAL 68 CO 0.32 -0.58 0.00 0.18 0.00 0.00 0.00 175.10 175.02 1k9m n LEU 69 N 5.73 0.00 -4.63 3.92 4.77 0.92 -4.93 117.00 122.78 1k9m n LEU 69 Ca -0.08 -2.25 -0.25 0.00 -0.03 0.00 0.00 56.01 53.41 1k9m n LEU 69 Cb 0.46 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 1k9m n LEU 69 CO 0.49 -0.32 -0.35 -0.70 -1.33 0.00 0.00 177.39 175.18 1k9m s GLU 70 N -3.30 2.25 0.36 3.23 2.12 -1.26 -0.08 118.70 122.03 1k9m s GLU 70 Ca 0.00 -1.30 -0.17 0.00 0.36 0.00 0.00 54.97 53.87 1k9m s GLU 70 Cb -0.00 -2.21 0.05 0.00 0.26 0.00 0.00 34.13 32.23 1k9m s GLU 70 CO 0.00 0.41 0.77 0.00 -0.54 0.00 0.00 175.26 175.90 1k9m s ALA 71 N -2.00 -0.82 -0.02 6.30 0.00 -0.28 -0.76 121.76 124.18 1k9m s ALA 71 Ca 0.28 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.60 1k9m s ALA 71 Cb -0.08 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1k9m s ALA 71 CO 0.18 -0.99 -0.09 0.08 0.00 0.00 0.00 175.76 174.94 1k9m s VAL 72 N -2.65 0.77 -0.42 0.00 1.01 -0.84 -1.55 120.40 116.72 1k9m s VAL 72 Ca 0.15 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1k9m s VAL 72 Cb -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1k9m s VAL 72 CO 0.11 0.24 1.14 -0.69 0.00 0.00 0.00 175.10 175.90 1k9m s VAL 73 N 0.13 4.28 -0.11 2.92 1.01 -0.81 -0.45 120.40 127.37 1k9m s VAL 73 Ca -0.02 1.37 0.20 0.00 0.00 0.00 0.00 61.98 63.53 1k9m s VAL 73 Cb -0.08 -4.51 -0.25 0.00 0.00 0.00 0.00 36.38 31.55 1k9m s VAL 73 CO 0.00 -0.81 0.48 0.52 0.00 0.00 0.00 175.10 175.29 1k9m n VAL 74 N 6.52 0.63 -3.66 2.92 0.31 0.15 -1.60 118.33 123.60 1k9m n VAL 74 Ca 0.12 -0.63 -0.15 0.00 -0.01 0.00 0.00 64.34 63.67 1k9m n VAL 74 Cb 0.48 -0.28 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 1k9m n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1k9m s ARG 75 N -3.13 0.81 -0.01 5.55 0.52 -0.82 -3.39 118.95 118.48 1k9m s ARG 75 Ca -0.07 0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.06 1k9m s ARG 75 Cb 0.11 0.38 0.03 0.00 0.52 0.00 0.00 34.95 35.98 1k9m s ARG 75 CO 0.86 -0.23 0.33 1.14 0.02 0.00 0.00 175.30 177.42 1k9m s GLN 76 N -1.11 0.69 0.22 3.54 -2.07 -1.16 0.19 119.66 119.96 1k9m s GLN 76 Ca -0.11 -0.18 0.04 0.00 -1.82 0.00 0.00 55.36 53.29 1k9m s GLN 76 Cb -0.03 0.31 0.21 0.00 -1.09 0.00 0.00 33.01 32.41 1k9m s GLN 76 CO 0.06 -0.19 1.53 0.00 -1.32 0.00 0.00 175.29 175.37 1k9m h ARG 77 N 3.81 0.26 -6.80 9.60 3.08 -1.71 -2.23 114.38 120.39 1k9m h ARG 77 Ca -0.30 -0.19 -0.51 0.00 0.07 0.00 0.00 59.98 59.05 1k9m h ARG 77 Cb 1.18 0.03 0.03 0.00 0.08 0.00 0.00 29.97 31.29 1k9m h ARG 77 CO 0.40 0.81 0.56 0.21 -1.07 0.00 0.00 179.97 180.87 1k9m s LYS 78 N -3.72 4.50 0.86 0.04 2.47 -1.26 -4.33 119.74 118.30 1k9m s LYS 78 Ca -0.04 1.97 -0.12 0.00 -1.56 0.00 0.00 55.97 56.22 1k9m s LYS 78 Cb 0.12 -3.16 0.09 0.00 -1.46 0.00 0.00 37.83 33.42 1k9m s LYS 78 CO 0.80 -0.01 1.04 -2.30 0.16 0.00 0.00 175.35 175.05 1k9m n PRO 79 N 1.39 -0.08 -3.92 4.03 -0.02 -1.26 -4.75 135.00 130.39 1k9m n PRO 79 Ca 0.01 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.42 1k9m n PRO 79 Cb 0.44 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 1k9m n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1k9m s ILE 80 N -2.31 0.06 -0.23 4.25 -4.36 -0.46 -4.07 121.20 114.08 1k9m s ILE 80 Ca 0.69 -0.30 -0.13 0.00 -0.26 0.00 0.00 60.65 60.65 1k9m s ILE 80 Cb -0.27 -0.11 -0.05 0.00 1.25 0.00 0.00 42.46 43.29 1k9m s ILE 80 CO 0.56 -0.15 0.25 -0.60 0.24 0.00 0.00 174.94 175.24 1k9m s ARG 81 N -0.47 4.11 0.25 0.37 3.52 -0.42 -0.89 118.95 125.42 1k9m s ARG 81 Ca -0.05 -0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.40 1k9m s ARG 81 Cb -0.03 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 1k9m s ARG 81 CO -0.00 0.02 0.53 1.03 -0.81 0.00 0.00 175.30 176.06 1k9m s ARG 82 N 1.17 3.69 0.37 5.12 0.52 -0.40 -1.73 118.95 127.69 1k9m s ARG 82 Ca 0.12 0.09 0.28 0.00 -0.52 0.00 0.00 55.73 55.70 1k9m s ARG 82 Cb -0.14 -2.67 1.25 0.00 0.52 0.00 0.00 34.95 33.91 1k9m s ARG 82 CO 0.06 0.28 1.29 -2.30 0.02 0.00 0.00 175.30 174.65 1k9m n PRO 83 N -0.52 -0.03 -0.12 3.54 -0.02 -1.26 0.11 135.00 136.71 1k9m n PRO 83 Ca -0.01 1.02 0.02 0.00 -2.02 0.00 0.00 63.50 62.51 1k9m n PRO 83 Cb 0.53 -2.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.05 1k9m n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1k9m n ASP 84 N -4.26 1.21 0.00 2.55 5.75 -1.26 -4.90 116.55 115.64 1k9m n ASP 84 Ca 0.34 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1k9m n ASP 84 Cb 1.34 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 1k9m n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k9m n GLY 85 N 0.59 2.95 3.71 6.12 0.00 0.31 -5.03 105.19 113.83 1k9m n GLY 85 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1k9m n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s THR 86 N -1.48 2.13 0.13 2.61 2.01 -1.25 -4.65 115.64 115.14 1k9m s THR 86 Ca 0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1k9m s THR 86 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1k9m s THR 86 CO 0.00 -0.04 0.03 -0.13 -0.69 0.00 0.00 174.62 173.79 1k9m s ARG 87 N -4.06 2.59 -0.02 4.92 1.81 -1.26 -1.27 118.95 121.65 1k9m s ARG 87 Ca 0.74 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.84 1k9m s ARG 87 Cb -0.29 -2.52 0.02 0.00 -0.45 0.00 0.00 34.95 31.71 1k9m s ARG 87 CO 0.49 0.51 -0.02 0.08 -0.68 0.00 0.00 175.30 175.68 1k9m s VAL 88 N -1.51 0.26 0.01 3.52 1.01 -0.07 -4.89 120.40 118.73 1k9m s VAL 88 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1k9m s VAL 88 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1k9m s VAL 88 CO 0.20 0.13 0.04 -1.59 0.00 0.00 0.00 175.10 173.88 1k9m s LYS 89 N 0.63 0.39 0.37 2.72 -2.85 -1.26 -1.35 119.74 118.38 1k9m s LYS 89 Ca -0.07 -0.53 0.08 0.00 -1.00 0.00 0.00 55.97 54.45 1k9m s LYS 89 Cb -0.10 0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.80 1k9m s LYS 89 CO -0.01 -0.08 0.34 -0.06 0.10 0.00 0.00 175.35 175.64 1k9m s PHE 90 N -1.48 2.82 0.14 1.78 0.40 -0.84 -5.02 117.98 115.77 1k9m s PHE 90 Ca -0.15 -0.38 0.28 0.00 -0.60 0.00 0.00 56.93 56.08 1k9m s PHE 90 Cb -0.09 -1.97 1.14 0.00 0.51 0.00 0.00 43.02 42.61 1k9m s PHE 90 CO -0.00 0.03 1.91 1.49 0.70 0.00 0.00 175.22 179.35 1k9m h GLU 91 N 1.13 0.00 0.00 0.44 4.22 -1.94 -3.36 114.58 115.07 1k9m h GLU 91 Ca -0.43 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.85 1k9m h GLU 91 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1k9m h GLU 91 CO 0.57 0.12 0.05 -0.40 -2.18 0.00 0.00 179.01 177.17 1k9m n ASP 92 N -3.28 -1.71 -4.47 1.04 5.75 -1.26 -4.94 116.55 107.69 1k9m n ASP 92 Ca 0.00 -2.66 -0.35 0.00 -0.01 0.00 0.00 54.79 51.77 1k9m n ASP 92 Cb 0.36 2.98 -0.12 0.00 -1.03 0.00 0.00 41.12 43.31 1k9m n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1k9m s ASN 93 N -3.01 4.88 0.02 -1.12 0.01 -1.26 -2.98 114.94 111.48 1k9m s ASN 93 Ca 0.22 -0.17 -0.07 0.00 -0.71 0.00 0.00 52.86 52.13 1k9m s ASN 93 Cb -0.03 -1.83 -0.00 0.00 0.41 0.00 0.00 41.25 39.80 1k9m s ASN 93 CO 0.16 0.09 0.12 0.00 -1.51 0.00 0.00 177.10 175.96 1k9m s ALA 94 N 0.85 -0.21 0.03 0.60 0.00 0.13 -1.36 121.76 121.80 1k9m s ALA 94 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1k9m s ALA 94 Cb -0.14 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1k9m s ALA 94 CO 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 175.76 175.47 1k9m s ALA 95 N -2.01 0.32 -0.19 0.00 0.00 0.08 0.33 121.76 120.29 1k9m s ALA 95 Ca -0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1k9m s ALA 95 Cb -0.04 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1k9m s ALA 95 CO -0.02 -0.20 -0.13 0.08 0.00 0.00 0.00 175.76 175.49 1k9m s VAL 96 N -2.19 2.71 0.22 0.00 1.01 0.40 -1.76 120.40 120.79 1k9m s VAL 96 Ca -0.08 -0.73 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 1k9m s VAL 96 Cb -0.05 -2.18 -0.14 0.00 0.00 0.00 0.00 36.38 34.02 1k9m s VAL 96 CO -0.03 0.49 1.43 -0.38 0.00 0.00 0.00 175.10 176.61 1k9m n ILE 97 N 4.52 0.76 -4.38 2.22 5.41 -1.26 -1.98 119.36 124.64 1k9m n ILE 97 Ca -0.19 -0.19 -0.19 0.00 1.00 0.00 0.00 62.75 63.17 1k9m n ILE 97 Cb 0.51 -1.46 -0.10 0.00 -0.71 0.00 0.00 39.64 37.88 1k9m n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1k9m s VAL 98 N 0.12 1.50 0.07 1.39 0.11 0.06 -2.05 120.40 121.60 1k9m s VAL 98 Ca 0.70 -2.12 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 1k9m s VAL 98 Cb -0.67 -2.31 0.01 0.00 -1.53 0.00 0.00 36.38 31.88 1k9m s VAL 98 CO 0.47 -0.39 0.06 -0.90 -3.33 0.00 0.00 175.10 171.01 1k9m n ASP 99 N -0.49 1.12 -0.33 3.54 5.68 -1.14 -3.98 116.55 120.95 1k9m n ASP 99 Ca -0.06 -1.23 0.11 0.00 -0.50 0.00 0.00 54.79 53.11 1k9m n ASP 99 Cb 0.63 -0.01 0.29 0.00 -1.14 0.00 0.00 41.12 40.89 1k9m n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1k9m h GLU 100 N 0.00 0.69 -0.00 0.11 5.08 -1.99 0.62 114.58 119.09 1k9m h GLU 100 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1k9m h GLU 100 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k9m h GLU 100 CO 0.07 0.46 -0.13 0.09 -1.00 0.00 0.00 179.01 178.49 1k9m n ASN 101 N -4.81 0.41 -0.13 1.42 3.02 -1.26 -4.92 115.26 108.99 1k9m n ASN 101 Ca 0.21 -0.42 -0.01 0.00 -0.03 0.00 0.00 54.58 54.33 1k9m n ASN 101 Cb 0.53 -0.09 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1k9m n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k9m n GLU 102 N -1.07 -0.10 -3.62 3.52 1.02 0.21 -5.03 120.64 115.57 1k9m n GLU 102 Ca 0.13 0.22 -0.36 0.00 -0.02 0.00 0.00 57.16 57.12 1k9m n GLU 102 Cb 0.29 -3.78 -0.08 0.00 -0.02 0.00 0.00 31.44 27.85 1k9m n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1k9m s ASP 103 N -2.96 6.27 0.10 1.62 1.01 -1.26 -4.46 116.67 116.99 1k9m s ASP 103 Ca 0.00 0.30 -0.36 0.00 0.71 0.00 0.00 52.55 53.20 1k9m s ASP 103 Cb 0.00 -2.13 -0.17 0.00 1.01 0.00 0.00 42.92 41.63 1k9m s ASP 103 CO 0.00 0.10 1.30 -0.81 0.21 0.00 0.00 175.17 175.97 1k9m n PRO 104 N 3.85 1.12 0.25 8.23 -0.04 -1.26 -2.89 135.00 144.26 1k9m n PRO 104 Ca -0.14 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1k9m n PRO 104 Cb 0.52 -2.01 0.68 0.00 -0.04 0.00 0.00 33.50 32.65 1k9m n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1k9m h ARG 105 N 4.28 0.00 0.00 0.54 2.43 -1.72 -3.44 114.38 116.46 1k9m h ARG 105 Ca -0.47 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.31 1k9m h ARG 105 Cb 1.34 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.93 1k9m h ARG 105 CO 0.76 0.14 0.01 0.41 -1.51 0.00 0.00 179.97 179.77 1k9m n GLY 106 N -0.70 1.43 0.08 2.80 0.00 -1.26 -4.96 105.19 102.58 1k9m n GLY 106 Ca -0.02 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.79 1k9m n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9m n THR 107 N -2.27 1.17 -4.16 2.61 -1.04 -1.26 -5.00 114.28 104.34 1k9m n THR 107 Ca 0.14 -0.75 -0.16 0.00 -2.04 0.00 0.00 64.05 61.24 1k9m n THR 107 Cb 0.49 -0.49 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1k9m n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1k9m s GLU 108 N -2.48 0.59 -0.23 -2.82 2.02 -1.26 -5.04 118.70 109.47 1k9m s GLU 108 Ca -0.09 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.25 1k9m s GLU 108 Cb 0.06 -0.48 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 1k9m s GLU 108 CO 0.74 0.11 0.09 -0.51 0.02 0.00 0.00 175.26 175.71 1k9m s LEU 109 N -1.00 3.68 -0.11 1.80 1.43 -1.26 -2.12 118.68 121.10 1k9m s LEU 109 Ca -0.03 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 1k9m s LEU 109 Cb -0.07 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1k9m s LEU 109 CO 0.00 0.04 0.58 -0.54 0.23 0.00 0.00 176.35 176.67 1k9m s LYS 110 N 1.15 4.36 0.00 1.70 1.02 -1.00 -4.51 119.74 122.46 1k9m s LYS 110 Ca 0.05 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1k9m s LYS 110 Cb -0.14 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1k9m s LYS 110 CO 0.04 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1k9m n GLY 111 N 3.26 -0.71 3.74 -3.33 0.00 -1.26 -4.66 105.19 102.23 1k9m n GLY 111 Ca -0.04 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1k9m n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k9m s PRO 112 N -1.79 0.71 -0.04 1.61 0.04 -1.26 -4.48 135.00 129.78 1k9m s PRO 112 Ca 0.00 0.32 -0.09 0.00 0.04 0.00 0.00 61.00 61.27 1k9m s PRO 112 Cb 0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1k9m s PRO 112 CO 0.00 -2.50 0.22 0.42 0.04 0.00 0.00 177.00 175.18 1k9m s ILE 113 N -3.17 0.04 0.29 0.56 1.01 -0.75 -4.87 121.20 114.31 1k9m s ILE 113 Ca 0.65 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1k9m s ILE 113 Cb -0.16 -0.42 -0.10 0.00 0.01 0.00 0.00 42.46 41.79 1k9m s ILE 113 CO 0.55 -0.18 1.17 0.00 0.00 0.00 0.00 174.94 176.48 1k9m s ALA 114 N -0.67 3.44 0.27 9.38 0.00 -1.22 -1.01 121.76 131.95 1k9m s ALA 114 Ca -0.08 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 1k9m s ALA 114 Cb -0.04 -3.38 0.41 0.00 0.00 0.00 0.00 23.12 20.11 1k9m s ALA 114 CO 0.02 -0.31 1.88 0.07 0.00 0.00 0.00 175.76 177.41 1k9m h ARG 115 N 3.74 1.15 -0.59 0.00 0.11 -1.86 -2.30 114.38 114.64 1k9m h ARG 115 Ca -0.47 -0.07 0.17 0.00 0.10 0.00 0.00 59.98 59.71 1k9m h ARG 115 Cb 1.22 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 1k9m h ARG 115 CO 0.67 0.76 0.42 0.93 0.10 0.00 0.00 179.97 182.85 1k9m h GLU 116 N 1.18 0.01 0.00 0.08 3.07 -1.88 0.40 114.58 117.44 1k9m h GLU 116 Ca 0.43 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.26 1k9m h GLU 116 Cb 0.16 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1k9m h GLU 116 CO -0.17 0.01 -0.16 0.28 -1.40 0.00 0.00 179.01 177.57 1k9m h VAL 117 N 0.02 0.94 0.50 3.13 2.07 -1.74 -2.91 116.25 118.26 1k9m h VAL 117 Ca 0.28 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1k9m h VAL 117 Cb 1.10 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1k9m h VAL 117 CO -0.01 0.15 -0.39 0.00 0.02 0.00 0.00 177.57 177.35 1k9m h ALA 118 N 1.84 -0.91 0.00 1.67 0.00 -1.05 -0.21 119.26 120.60 1k9m h ALA 118 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1k9m h ALA 118 Cb 0.31 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1k9m h ALA 118 CO 0.02 -1.04 0.00 1.04 0.00 0.00 0.00 179.25 179.27 1k9m n GLN 119 N -5.51 0.00 0.00 0.00 6.02 -1.10 -2.21 117.38 114.59 1k9m n GLN 119 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1k9m n GLN 119 Cb 0.40 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1k9m n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1k9m n ARG 120 N -0.69 0.00 -3.88 -1.09 1.74 -0.87 -4.84 116.66 107.03 1k9m n ARG 120 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1k9m n ARG 120 Cb 0.00 -0.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.80 1k9m n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1k9m s PHE 121 N -1.79 3.11 0.09 -1.55 0.40 -0.14 -4.98 117.98 113.11 1k9m s PHE 121 Ca 0.00 -3.12 -0.35 0.00 -0.60 0.00 0.00 56.93 52.86 1k9m s PHE 121 Cb 0.00 -2.59 -0.17 0.00 0.51 0.00 0.00 43.02 40.77 1k9m s PHE 121 CO 0.00 -0.67 1.57 0.78 0.70 0.00 0.00 175.22 177.60 1k9m h GLY 122 N 6.06 -1.21 1.21 4.36 0.00 -1.81 -0.44 103.07 111.24 1k9m h GLY 122 Ca 0.03 0.57 0.10 0.00 0.00 0.00 0.00 47.33 48.03 1k9m h GLY 122 CO 0.66 -0.36 0.30 1.48 0.00 0.00 0.00 176.54 178.62 1k9m h SER 123 N -0.97 0.00 -0.08 0.19 4.64 -1.93 0.74 113.55 116.14 1k9m h SER 123 Ca -0.05 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 1k9m h SER 123 Cb 0.85 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1k9m h SER 123 CO -0.08 0.00 -0.63 0.58 -0.87 0.00 0.00 176.83 175.83 1k9m h VAL 124 N 0.00 1.35 -0.05 0.95 2.07 -1.66 -3.23 116.25 115.68 1k9m h VAL 124 Ca 0.17 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 1k9m h VAL 124 Cb 0.76 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1k9m h VAL 124 CO -0.00 0.59 0.00 0.00 0.02 0.00 0.00 177.57 178.18 1k9m h ALA 125 N 0.45 0.07 0.00 1.67 0.00 0.11 -2.62 119.26 118.95 1k9m h ALA 125 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1k9m h ALA 125 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1k9m h ALA 125 CO 0.13 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 1k9m n SER 126 N -4.88 0.17 0.00 0.00 3.41 0.22 -0.35 113.62 112.20 1k9m n SER 126 Ca -0.07 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1k9m n SER 126 Cb 0.18 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1k9m n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k9m n ALA 127 N -0.06 1.70 -1.79 7.33 0.00 -0.99 -5.02 120.51 121.68 1k9m n ALA 127 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1k9m n ALA 127 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1k9m n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9m s ALA 128 N -0.20 3.15 -0.18 0.00 0.00 0.53 -4.03 121.76 121.04 1k9m s ALA 128 Ca 0.00 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1k9m s ALA 128 Cb 0.00 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 1k9m s ALA 128 CO 0.00 0.06 0.27 1.15 0.00 0.00 0.00 175.76 177.24 1k9m h THR 129 N 2.38 0.94 -3.67 0.00 2.02 -1.82 -3.47 112.91 109.29 1k9m h THR 129 Ca -0.48 -1.99 -0.55 0.00 0.77 0.00 0.00 66.41 64.16 1k9m h THR 129 Cb 1.20 2.06 -0.32 0.00 -1.74 0.00 0.00 68.15 69.34 1k9m h THR 129 CO 0.64 0.32 -0.83 -0.04 0.37 0.00 0.00 175.52 175.97 1k9m s MET 130 N -2.27 1.82 -0.27 6.66 -1.94 -1.26 -5.10 119.30 116.94 1k9m s MET 130 Ca -0.23 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1k9m s MET 130 Cb 0.03 -1.52 0.07 0.00 2.01 0.00 0.00 34.83 35.42 1k9m s MET 130 CO 0.53 0.15 -0.02 0.42 -0.01 0.00 0.00 175.02 176.09 1k9m s ILE 131 N 0.30 1.65 -2.60 2.53 1.01 -1.26 -1.82 121.20 121.01 1k9m s ILE 131 Ca -0.09 -1.49 0.27 0.00 0.00 0.00 0.00 60.65 59.34 1k9m s ILE 131 Cb -0.13 -1.99 0.48 0.00 0.01 0.00 0.00 42.46 40.83 1k9m s ILE 131 CO 0.03 -0.25 1.65 0.52 0.00 0.00 0.00 174.94 176.89