#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c s ILE 2 N 0.00 4.62 0.27 3.17 -1.09 0.12 -4.78 121.20 123.50 3i9c s ILE 2 Ca 0.00 1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 59.23 3i9c s ILE 2 Cb 0.00 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3i9c s ILE 2 CO 0.00 -0.58 0.77 0.00 -1.23 0.00 0.00 174.94 173.90 3i9c s GLN 3 N -3.88 1.73 -0.07 2.79 -2.07 -1.26 0.08 119.66 116.98 3i9c s GLN 3 Ca 0.56 -0.98 -0.38 0.00 -1.82 0.00 0.00 55.36 52.74 3i9c s GLN 3 Cb -0.10 0.58 -0.17 0.00 -1.09 0.00 0.00 33.01 32.23 3i9c s GLN 3 CO 0.29 -0.80 1.48 -0.35 -1.32 0.00 0.00 175.29 174.60 3i9c n PRO 4 N -0.47 1.06 0.00 9.60 -0.04 -1.26 -1.67 135.00 142.22 3i9c n PRO 4 Ca -0.05 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 3i9c n PRO 4 Cb 0.59 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3i9c n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i9c n GLN 5 N 3.57 0.00 -2.21 0.54 -0.06 -0.84 -4.98 117.38 113.40 3i9c n GLN 5 Ca 0.22 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.80 3i9c n GLN 5 Cb 0.16 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.31 3i9c n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3i9c s THR 6 N -2.51 3.25 -0.17 1.69 2.01 -0.67 -4.69 115.64 114.55 3i9c s THR 6 Ca 0.00 0.99 -0.18 0.00 0.31 0.00 0.00 61.69 62.81 3i9c s THR 6 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3i9c s THR 6 CO 0.00 0.13 0.48 -0.31 -0.69 0.00 0.00 174.62 174.23 3i9c s TYR 7 N 0.34 3.43 0.32 4.92 1.51 -1.26 -0.91 117.35 125.69 3i9c s TYR 7 Ca 0.58 0.79 0.03 0.00 -1.01 0.00 0.00 57.07 57.46 3i9c s TYR 7 Cb -0.36 -2.60 0.03 0.00 -0.11 0.00 0.00 41.96 38.92 3i9c s TYR 7 CO 0.36 0.02 0.22 1.28 -1.11 0.00 0.00 175.55 176.33 3i9c n LEU 8 N 4.30 0.00 0.00 -1.29 7.99 -0.20 -4.81 117.00 122.98 3i9c n LEU 8 Ca -0.06 -1.68 0.00 0.00 -0.01 0.00 0.00 56.01 54.26 3i9c n LEU 8 Cb 0.51 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 3i9c n LEU 8 CO 0.42 -0.44 0.00 1.21 -1.51 0.00 0.00 177.39 177.07 3i9c n GLU 9 N -1.22 1.47 -3.61 3.23 4.07 -0.58 -3.27 120.64 120.73 3i9c n GLU 9 Ca -0.02 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.80 3i9c n GLU 9 Cb 0.36 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.63 3i9c n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3i9c s VAL 10 N 0.06 1.11 -0.91 6.31 -7.23 -1.19 -3.26 120.40 115.28 3i9c s VAL 10 Ca 0.00 -2.69 -0.16 0.00 -1.81 0.00 0.00 61.98 57.33 3i9c s VAL 10 Cb 0.00 -1.77 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 3i9c s VAL 10 CO 0.00 -1.02 2.04 0.00 -0.31 0.00 0.00 175.10 175.81 3i9c n ALA 11 N 3.21 4.10 0.00 1.32 0.00 -0.38 -4.70 120.51 124.06 3i9c n ALA 11 Ca 0.17 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.66 3i9c n ALA 11 Cb 0.39 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3i9c n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i9c n ASP 12 N 6.17 0.00 -0.98 0.00 3.85 -1.26 -3.09 116.55 121.24 3i9c n ASP 12 Ca 0.49 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.66 3i9c n ASP 12 Cb 0.31 0.00 0.22 0.00 -1.35 0.00 0.00 41.12 40.30 3i9c n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3i9c n ASN 13 N 0.98 3.35 0.32 -1.12 0.23 -1.26 -4.54 115.26 113.23 3i9c n ASN 13 Ca 0.00 -1.97 0.04 0.00 -0.53 0.00 0.00 54.58 52.13 3i9c n ASN 13 Cb 0.00 -0.32 0.22 0.00 -2.08 0.00 0.00 39.78 37.60 3i9c n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3i9c h THR 14 N 3.27 0.00 0.00 5.53 2.02 -1.92 -3.43 112.91 118.38 3i9c h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i9c h THR 14 Cb 0.85 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3i9c h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3i9c n GLY 15 N -1.41 2.81 3.77 2.16 0.00 -1.26 -2.49 105.19 108.76 3i9c n GLY 15 Ca -0.01 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3i9c n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c s ALA 16 N -2.46 3.57 -0.24 4.61 0.00 -1.26 -0.46 121.76 125.53 3i9c s ALA 16 Ca 0.00 1.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.31 3i9c s ALA 16 Cb 0.00 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 3i9c s ALA 16 CO 0.00 -0.96 -0.35 0.54 0.00 0.00 0.00 175.76 174.99 3i9c n ARG 17 N 0.72 0.56 -3.96 0.00 5.12 -0.27 -4.66 116.66 114.17 3i9c n ARG 17 Ca 0.01 0.24 -0.15 0.00 -1.93 0.00 0.00 57.85 56.02 3i9c n ARG 17 Cb 0.40 -1.45 -0.15 0.00 -1.16 0.00 0.00 32.46 30.10 3i9c n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i9c s LYS 18 N -2.65 0.21 0.22 5.56 1.02 -0.72 -3.19 119.74 120.18 3i9c s LYS 18 Ca -0.35 -0.01 0.11 0.00 0.02 0.00 0.00 55.97 55.75 3i9c s LYS 18 Cb 0.11 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.09 3i9c s LYS 18 CO 0.46 -0.03 -0.20 0.96 -0.92 0.00 0.00 175.35 175.62 3i9c s ILE 19 N 0.39 2.53 -0.17 2.17 -4.36 -1.20 -1.03 121.20 119.51 3i9c s ILE 19 Ca -0.04 -2.09 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 3i9c s ILE 19 Cb -0.06 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.39 3i9c s ILE 19 CO -0.01 -0.20 -0.13 -0.32 0.24 0.00 0.00 174.94 174.52 3i9c s MET 20 N -2.95 3.26 0.60 0.37 -2.45 -0.02 -1.04 119.30 117.08 3i9c s MET 20 Ca 0.24 -0.72 -0.19 0.00 -1.25 0.00 0.00 55.69 53.77 3i9c s MET 20 Cb -0.07 -2.72 -0.03 0.00 1.25 0.00 0.00 34.83 33.26 3i9c s MET 20 CO 0.12 -0.03 1.24 0.00 1.05 0.00 0.00 175.02 177.40 3i9c n ILE 22 N -1.59 0.00 -3.70 0.00 2.08 0.28 -1.99 119.36 114.45 3i9c n ILE 22 Ca 0.14 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.35 3i9c n ILE 22 Cb 0.47 -0.40 -0.05 0.00 -0.75 0.00 0.00 39.64 38.91 3i9c n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3i9c s ARG 23 N -1.75 1.17 -0.16 0.38 6.06 -1.05 -4.56 118.95 119.03 3i9c s ARG 23 Ca 0.00 -0.80 -0.00 0.00 -2.50 0.00 0.00 55.73 52.43 3i9c s ARG 23 Cb 0.00 0.48 -0.00 0.00 0.06 0.00 0.00 34.95 35.49 3i9c s ARG 23 CO 0.00 -0.47 -0.15 0.14 -2.50 0.00 0.00 175.30 172.32 3i9c s VAL 24 N -3.84 2.68 -0.87 7.11 -7.23 -1.26 -1.60 120.40 115.38 3i9c s VAL 24 Ca 0.06 -0.76 -0.20 0.00 -1.81 0.00 0.00 61.98 59.27 3i9c s VAL 24 Cb 0.01 -2.14 0.10 0.00 0.56 0.00 0.00 36.38 34.91 3i9c s VAL 24 CO -0.08 0.51 1.13 -0.76 -0.31 0.00 0.00 175.10 175.59 3i9c s LEU 25 N 0.94 4.65 0.00 1.32 1.43 -0.09 -4.73 118.68 122.20 3i9c s LEU 25 Ca -0.03 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.39 3i9c s LEU 25 Cb -0.15 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3i9c s LEU 25 CO -0.02 -1.23 0.00 0.29 0.23 0.00 0.00 176.35 175.62 3i9c n LYS 26 N 7.19 0.00 -0.02 1.70 5.02 -1.26 -4.44 118.16 126.35 3i9c n LYS 26 Ca 0.18 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.46 3i9c n LYS 26 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.50 3i9c n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9c n GLY 27 N 0.00 -1.67 0.25 0.72 0.00 -1.26 -4.82 105.19 98.41 3i9c n GLY 27 Ca 0.00 -0.55 0.16 0.00 0.00 0.00 0.00 46.02 45.63 3i9c n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9c h SER 28 N -1.50 0.00 -0.31 1.61 4.64 -2.01 -3.34 113.55 112.64 3i9c h SER 28 Ca -0.01 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 3i9c h SER 28 Cb 0.03 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.84 3i9c h SER 28 CO 0.00 0.00 -0.73 -0.46 -0.87 0.00 0.00 176.83 174.77 3i9c n ASN 29 N -2.94 -0.00 -4.73 4.97 0.23 -1.26 -5.11 115.26 106.42 3i9c n ASN 29 Ca 0.01 -2.26 -0.42 0.00 -0.53 0.00 0.00 54.58 51.38 3i9c n ASN 29 Cb 0.32 0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 3i9c n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i9c s ALA 30 N -1.77 3.73 0.01 -2.53 0.00 -1.26 -4.92 121.76 115.02 3i9c s ALA 30 Ca 0.20 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 3i9c s ALA 30 Cb 0.40 -3.60 -0.31 0.00 0.00 0.00 0.00 23.12 19.61 3i9c s ALA 30 CO -0.07 -0.78 0.89 0.87 0.00 0.00 0.00 175.76 176.68 3i9c h LYS 31 N 6.14 0.38 -5.00 0.00 1.57 -1.95 -3.45 116.57 114.27 3i9c h LYS 31 Ca -0.44 -0.65 -0.39 0.00 -1.87 0.00 0.00 60.65 57.30 3i9c h LYS 31 Cb 1.21 0.24 -0.24 0.00 0.08 0.00 0.00 32.23 33.52 3i9c h LYS 31 CO 0.86 1.29 -0.77 0.71 -0.57 0.00 0.00 179.45 180.97 3i9c s TYR 32 N -2.61 0.99 -0.05 -1.35 1.51 -1.26 -4.65 117.35 109.93 3i9c s TYR 32 Ca -0.10 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 3i9c s TYR 32 Cb 0.06 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 3i9c s TYR 32 CO 0.89 0.00 -0.17 0.00 -1.11 0.00 0.00 175.55 175.16 3i9c s ALA 33 N -0.87 2.54 0.31 3.71 0.00 0.11 -4.89 121.76 122.68 3i9c s ALA 33 Ca -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3i9c s ALA 33 Cb -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 3i9c s ALA 33 CO 0.01 0.53 0.10 -0.08 0.00 0.00 0.00 175.76 176.32 3i9c s THR 34 N -0.64 0.70 -0.37 0.00 -1.32 -1.26 0.11 115.64 112.85 3i9c s THR 34 Ca 0.10 -2.00 -0.45 0.00 -1.21 0.00 0.00 61.69 58.13 3i9c s THR 34 Cb -0.11 -2.61 -0.19 0.00 -1.51 0.00 0.00 72.50 68.07 3i9c s THR 34 CO 0.01 0.00 1.52 0.52 -2.21 0.00 0.00 174.62 174.45 3i9c n VAL 35 N -0.62 0.04 0.00 5.08 0.31 -1.26 -0.73 118.33 121.15 3i9c n VAL 35 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3i9c n VAL 35 Cb 0.66 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3i9c n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i9c n GLY 36 N 3.56 0.61 3.67 2.92 0.00 -0.34 -4.89 105.19 110.72 3i9c n GLY 36 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 3i9c n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i9c s ASP 37 N -1.99 5.12 0.07 1.61 1.01 0.09 -4.89 116.67 117.70 3i9c s ASP 37 Ca 0.00 0.05 -0.15 0.00 0.71 0.00 0.00 52.55 53.15 3i9c s ASP 37 Cb 0.00 -1.37 -0.06 0.00 1.01 0.00 0.00 42.92 42.49 3i9c s ASP 37 CO 0.00 0.32 0.50 0.68 0.21 0.00 0.00 175.17 176.88 3i9c s VAL 38 N -0.99 4.90 0.25 -1.27 -7.23 -1.26 -1.48 120.40 113.31 3i9c s VAL 38 Ca 0.17 0.91 0.04 0.00 -1.81 0.00 0.00 61.98 61.29 3i9c s VAL 38 Cb -0.11 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 3i9c s VAL 38 CO 0.07 0.44 -0.00 0.27 -0.31 0.00 0.00 175.10 175.56 3i9c s ILE 39 N -1.24 1.13 -0.37 -0.62 -4.36 0.11 -0.91 121.20 114.94 3i9c s ILE 39 Ca 0.31 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.64 3i9c s ILE 39 Cb -0.17 -2.41 0.09 0.00 1.25 0.00 0.00 42.46 41.23 3i9c s ILE 39 CO 0.17 -0.28 0.12 -0.69 0.24 0.00 0.00 174.94 174.49 3i9c s VAL 40 N -3.36 2.96 0.00 8.37 1.01 -0.63 -0.75 120.40 128.00 3i9c s VAL 40 Ca 0.29 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.30 3i9c s VAL 40 Cb 0.06 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3i9c s VAL 40 CO 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 175.10 174.67 3i9c n ALA 41 N 4.51 0.00 -3.65 5.51 0.00 0.10 -0.56 120.51 126.43 3i9c n ALA 41 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 3i9c n ALA 41 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3i9c n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i9c s SER 42 N -1.00 -0.81 0.13 0.00 0.15 -0.42 -3.15 113.70 108.60 3i9c s SER 42 Ca 0.00 1.34 -0.31 0.00 0.70 0.00 0.00 55.95 57.67 3i9c s SER 42 Cb 0.00 1.22 -0.08 0.00 -1.71 0.00 0.00 66.02 65.44 3i9c s SER 42 CO 0.00 -0.23 1.42 -0.69 1.20 0.00 0.00 173.24 174.94 3i9c s VAL 43 N 1.49 3.18 -0.08 4.45 1.01 -0.94 -0.84 120.40 128.67 3i9c s VAL 43 Ca -0.09 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.77 3i9c s VAL 43 Cb -0.06 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 3i9c s VAL 43 CO -0.17 0.07 -0.04 0.29 0.00 0.00 0.00 175.10 175.25 3i9c n LYS 44 N 3.88 1.13 -4.02 2.72 4.76 -0.20 -1.86 118.16 124.57 3i9c n LYS 44 Ca 0.12 0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.43 3i9c n LYS 44 Cb 0.42 -1.17 -0.15 0.00 -1.84 0.00 0.00 35.03 32.28 3i9c n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3i9c s GLU 45 N -2.17 0.35 0.05 1.97 2.12 -1.12 -4.92 118.70 114.99 3i9c s GLU 45 Ca -0.09 -0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 3i9c s GLU 45 Cb 0.03 -0.42 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 3i9c s GLU 45 CO 0.23 -0.02 -0.00 0.00 -0.54 0.00 0.00 175.26 174.92 3i9c s ALA 46 N 0.47 0.39 0.19 6.30 0.00 -1.26 -1.12 121.76 126.73 3i9c s ALA 46 Ca -0.05 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 3i9c s ALA 46 Cb -0.08 0.28 -0.08 0.00 0.00 0.00 0.00 23.12 23.24 3i9c s ALA 46 CO -0.01 -0.37 0.89 -1.50 0.00 0.00 0.00 175.76 174.77 3i9c s ILE 47 N -3.69 4.26 0.00 0.00 1.10 0.40 -4.85 121.20 118.42 3i9c s ILE 47 Ca 0.05 1.95 0.00 0.00 -0.51 0.00 0.00 60.65 62.14 3i9c s ILE 47 Cb 0.06 -4.26 0.00 0.00 0.15 0.00 0.00 42.46 38.41 3i9c s ILE 47 CO -0.09 0.47 0.00 -2.65 -2.11 0.00 0.00 174.94 170.55 3i9c n PRO 48 N 1.82 0.00 -2.56 3.50 -0.02 -1.26 -4.22 135.00 132.27 3i9c n PRO 48 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3i9c n PRO 48 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.93 3i9c n PRO 48 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i9c s ARG 49 N 0.00 4.53 0.32 -0.52 3.03 -1.26 -4.96 118.95 120.09 3i9c s ARG 49 Ca 0.00 1.62 -0.18 0.00 2.03 0.00 0.00 55.73 59.20 3i9c s ARG 49 Cb 0.00 -3.37 0.05 0.00 -1.03 0.00 0.00 34.95 30.60 3i9c s ARG 49 CO 0.00 -0.07 0.80 0.20 -1.13 0.00 0.00 175.30 175.10 3i9c s GLY 50 N 0.66 0.17 0.06 3.88 0.00 -1.26 -5.00 107.32 105.83 3i9c s GLY 50 Ca 0.53 -0.53 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 3i9c s GLY 50 CO 0.30 -0.02 1.44 0.00 0.00 0.00 0.00 173.10 174.83 3i9c h ALA 51 N 2.00 -1.18 -2.57 3.20 0.00 -1.78 -3.43 119.26 115.51 3i9c h ALA 51 Ca -0.27 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 53.90 3i9c h ALA 51 Cb 1.25 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 3i9c h ALA 51 CO 0.34 -1.15 -0.13 0.08 0.00 0.00 0.00 179.25 178.38 3i9c s VAL 52 N -5.30 4.94 0.04 0.00 1.01 -1.11 -5.09 120.40 114.90 3i9c s VAL 52 Ca -0.15 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3i9c s VAL 52 Cb 0.03 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3i9c s VAL 52 CO 0.47 0.05 -0.10 -0.54 0.00 0.00 0.00 175.10 174.99 3i9c s LYS 53 N -2.50 0.64 0.18 2.72 1.02 -1.26 -4.33 119.74 116.20 3i9c s LYS 53 Ca 0.43 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 3i9c s LYS 53 Cb -0.12 -0.51 -0.11 0.00 -0.52 0.00 0.00 37.83 36.57 3i9c s LYS 53 CO 0.21 0.11 0.24 0.39 -0.92 0.00 0.00 175.35 175.37 3i9c n GLU 54 N 1.64 0.00 0.00 1.68 1.02 -1.26 -2.26 120.64 121.46 3i9c n GLU 54 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3i9c n GLU 54 Cb 0.55 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 3i9c n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9c n GLY 55 N 1.39 2.50 3.52 0.62 0.00 -0.78 -4.95 105.19 107.49 3i9c n GLY 55 Ca 0.10 -0.58 -0.54 0.00 0.00 0.00 0.00 46.02 45.00 3i9c n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i9c n ASP 56 N 1.24 0.35 -4.68 1.61 10.43 -0.96 -4.53 116.55 120.01 3i9c n ASP 56 Ca 0.00 1.15 -0.39 0.00 2.57 0.00 0.00 54.79 58.12 3i9c n ASP 56 Cb 0.00 -1.03 -0.06 0.00 1.84 0.00 0.00 41.12 41.87 3i9c n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i9c s VAL 57 N -0.09 5.13 0.07 2.53 1.01 -1.26 -2.21 120.40 125.57 3i9c s VAL 57 Ca 0.83 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 3i9c s VAL 57 Cb -1.09 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 3i9c s VAL 57 CO 0.54 0.22 0.09 0.68 0.00 0.00 0.00 175.10 176.63 3i9c s VAL 58 N 1.36 0.17 0.19 2.92 -7.23 -1.19 -5.01 120.40 111.62 3i9c s VAL 58 Ca 0.25 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3i9c s VAL 58 Cb -0.15 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 3i9c s VAL 58 CO 0.10 -0.79 0.39 -0.54 -0.31 0.00 0.00 175.10 173.95 3i9c s LYS 59 N -3.78 3.53 0.14 4.82 1.02 -1.26 0.02 119.74 124.23 3i9c s LYS 59 Ca 0.05 -0.32 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 3i9c s LYS 59 Cb 0.06 -2.84 0.07 0.00 -0.52 0.00 0.00 37.83 34.60 3i9c s LYS 59 CO -0.10 0.41 0.65 0.00 -0.92 0.00 0.00 175.35 175.39 3i9c s ALA 60 N -1.84 -1.63 -0.09 5.17 0.00 0.07 -1.69 121.76 121.75 3i9c s ALA 60 Ca 0.39 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.94 3i9c s ALA 60 Cb -0.11 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3i9c s ALA 60 CO 0.29 -0.76 -0.20 0.54 0.00 0.00 0.00 175.76 175.63 3i9c s VAL 61 N -3.65 2.50 -0.07 0.00 0.11 -0.53 0.08 120.40 118.84 3i9c s VAL 61 Ca 0.02 -0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 57.89 3i9c s VAL 61 Cb -0.01 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 3i9c s VAL 61 CO -0.12 0.56 1.66 -0.69 -3.33 0.00 0.00 175.10 173.18 3i9c s VAL 62 N 0.05 3.58 -0.06 2.04 1.01 -0.55 -2.46 120.40 124.01 3i9c s VAL 62 Ca -0.08 0.70 0.11 0.00 0.00 0.00 0.00 61.98 62.70 3i9c s VAL 62 Cb -0.15 -3.46 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 3i9c s VAL 62 CO 0.05 -0.08 0.15 1.33 0.00 0.00 0.00 175.10 176.56 3i9c n VAL 63 N 5.57 0.35 -3.85 2.92 0.24 -1.03 -1.20 118.33 121.33 3i9c n VAL 63 Ca 0.18 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 3i9c n VAL 63 Cb 0.43 -0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.48 3i9c n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i9c s ARG 64 N -2.55 0.37 0.19 7.34 0.52 -1.18 -2.73 118.95 120.91 3i9c s ARG 64 Ca -0.05 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 3i9c s ARG 64 Cb 0.05 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 3i9c s ARG 64 CO 0.46 -0.08 0.07 0.95 0.02 0.00 0.00 175.30 176.72 3i9c s THR 65 N -0.77 0.36 -0.75 0.02 -4.23 -1.22 -1.90 115.64 107.15 3i9c s THR 65 Ca -0.09 -1.97 0.19 0.00 -1.18 0.00 0.00 61.69 58.65 3i9c s THR 65 Cb -0.05 -2.32 -0.23 0.00 1.34 0.00 0.00 72.50 71.25 3i9c s THR 65 CO 0.01 -0.25 0.75 1.17 -0.54 0.00 0.00 174.62 175.76 3i9c n LYS 66 N -0.27 0.64 -3.61 3.99 4.81 -1.26 -0.53 118.16 121.93 3i9c n LYS 66 Ca -0.03 -0.03 -0.39 0.00 -0.87 0.00 0.00 58.31 56.99 3i9c n LYS 66 Cb 0.65 -1.42 -0.07 0.00 0.02 0.00 0.00 35.03 34.21 3i9c n LYS 66 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3i9c s LYS 67 N -2.92 2.96 0.00 1.64 2.47 -1.26 -4.62 119.74 118.01 3i9c s LYS 67 Ca 0.05 -2.67 0.00 0.00 -1.56 0.00 0.00 55.97 51.79 3i9c s LYS 67 Cb 0.14 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 3i9c s LYS 67 CO 0.80 -1.22 0.00 -0.85 0.16 0.00 0.00 175.35 174.24 3i9c n GLU 68 N 3.37 0.00 -4.30 4.03 0.00 -1.26 -4.61 120.64 117.86 3i9c n GLU 68 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 57.03 3i9c n GLU 68 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.75 3i9c n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3i9c s ILE 69 N 0.00 3.27 -0.11 3.84 1.09 -0.54 -4.90 121.20 123.86 3i9c s ILE 69 Ca 0.00 -1.83 -0.01 0.00 -1.10 0.00 0.00 60.65 57.72 3i9c s ILE 69 Cb 0.00 -2.69 -0.03 0.00 -1.06 0.00 0.00 42.46 38.69 3i9c s ILE 69 CO 0.00 -0.25 -0.08 -0.54 -0.10 0.00 0.00 174.94 173.97 3i9c s LYS 70 N -3.27 3.14 -0.20 2.79 1.02 -1.26 -1.40 119.74 120.55 3i9c s LYS 70 Ca 0.28 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.62 3i9c s LYS 70 Cb -0.07 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3i9c s LYS 70 CO 0.17 0.45 0.08 1.03 -0.92 0.00 0.00 175.35 176.16 3i9c s ARG 71 N -0.22 3.96 0.00 1.68 1.81 -0.06 -4.95 118.95 121.16 3i9c s ARG 71 Ca 0.03 -0.35 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 3i9c s ARG 71 Cb -0.13 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 3i9c s ARG 71 CO 0.03 0.19 0.72 -0.35 -0.68 0.00 0.00 175.30 175.20 3i9c n PRO 72 N 3.80 0.00 -0.03 3.54 -0.04 -1.26 0.75 135.00 141.75 3i9c n PRO 72 Ca -0.16 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 3i9c n PRO 72 Cb 0.52 -1.76 0.52 0.00 -0.04 0.00 0.00 33.50 32.74 3i9c n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i9c n ASP 73 N -1.22 1.15 0.00 3.54 5.68 -1.26 -4.93 116.55 119.51 3i9c n ASP 73 Ca 0.00 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 3i9c n ASP 73 Cb 0.26 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3i9c n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i9c n GLY 74 N 1.07 2.41 3.94 6.12 0.00 0.23 -5.08 105.19 113.88 3i9c n GLY 74 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3i9c n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i9c s SER 75 N -0.05 4.94 0.08 1.61 1.04 -1.24 -4.84 113.70 115.25 3i9c s SER 75 Ca 0.00 0.40 -0.05 0.00 0.48 0.00 0.00 55.95 56.79 3i9c s SER 75 Cb 0.00 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.98 3i9c s SER 75 CO 0.00 -1.49 0.09 0.00 0.98 0.00 0.00 173.24 172.82 3i9c s ALA 76 N -3.15 0.18 -0.07 5.32 0.00 -1.26 -0.88 121.76 121.88 3i9c s ALA 76 Ca 0.59 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 3i9c s ALA 76 Cb -0.11 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.49 3i9c s ALA 76 CO 0.44 -0.45 0.14 -1.50 0.00 0.00 0.00 175.76 174.38 3i9c s ILE 77 N -3.90 -0.19 -0.06 0.00 2.07 -0.49 -4.92 121.20 113.70 3i9c s ILE 77 Ca 0.08 0.32 0.04 0.00 -1.41 0.00 0.00 60.65 59.68 3i9c s ILE 77 Cb 0.06 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 3i9c s ILE 77 CO -0.09 0.13 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.30 3i9c s ARG 78 N 1.98 2.59 0.46 3.50 3.52 -1.26 -1.47 118.95 128.27 3i9c s ARG 78 Ca 0.00 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 54.93 3i9c s ARG 78 Cb -0.12 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.96 3i9c s ARG 78 CO -0.05 0.52 0.60 -0.06 -0.81 0.00 0.00 175.30 175.49 3i9c s PHE 79 N -0.47 2.41 -0.16 5.12 0.40 0.31 -4.94 117.98 120.65 3i9c s PHE 79 Ca 0.06 -0.51 0.26 0.00 -0.60 0.00 0.00 56.93 56.14 3i9c s PHE 79 Cb -0.12 -2.30 0.74 0.00 0.51 0.00 0.00 43.02 41.85 3i9c s PHE 79 CO 0.02 -0.57 1.75 -0.44 0.70 0.00 0.00 175.22 176.67 3i9c h ASP 80 N 0.57 0.00 -5.17 1.36 5.19 -1.93 -3.38 116.42 113.06 3i9c h ASP 80 Ca -0.37 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.18 3i9c h ASP 80 Cb 1.28 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.71 3i9c h ASP 80 CO 0.46 0.07 0.43 1.51 -3.12 0.00 0.00 179.24 178.59 3i9c s ASP 81 N -6.05 -0.23 -0.35 6.45 3.84 -1.26 -4.88 116.67 114.18 3i9c s ASP 81 Ca 0.04 -0.38 -0.18 0.00 -0.00 0.00 0.00 52.55 52.03 3i9c s ASP 81 Cb 0.07 0.53 -0.00 0.00 -1.38 0.00 0.00 42.92 42.13 3i9c s ASP 81 CO 0.63 -0.95 0.51 0.20 -0.00 0.00 0.00 175.17 175.56 3i9c s ASN 82 N -2.88 6.32 0.36 2.11 -0.87 -1.26 -3.40 114.94 115.32 3i9c s ASN 82 Ca 0.11 -0.03 0.04 0.00 -1.57 0.00 0.00 52.86 51.40 3i9c s ASN 82 Cb -0.02 -2.27 -0.04 0.00 -0.02 0.00 0.00 41.25 38.91 3i9c s ASN 82 CO 0.01 -0.48 0.13 0.00 -2.57 0.00 0.00 177.10 174.19 3i9c s ALA 83 N 2.39 2.46 0.30 0.60 0.00 -0.80 -1.53 121.76 125.19 3i9c s ALA 83 Ca 0.19 -1.57 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 3i9c s ALA 83 Cb -0.15 0.90 0.06 0.00 0.00 0.00 0.00 23.12 23.93 3i9c s ALA 83 CO 0.13 -0.40 0.88 0.00 0.00 0.00 0.00 175.76 176.37 3i9c s ALA 84 N -3.37 -1.10 0.06 0.00 0.00 -1.20 -2.47 121.76 113.68 3i9c s ALA 84 Ca 0.30 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.81 3i9c s ALA 84 Cb 0.04 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3i9c s ALA 84 CO 0.16 -1.02 -0.25 0.08 0.00 0.00 0.00 175.76 174.74 3i9c s VAL 85 N -2.41 2.01 0.04 0.00 1.01 -1.03 -1.25 120.40 118.77 3i9c s VAL 85 Ca 0.17 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 3i9c s VAL 85 Cb -0.04 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3i9c s VAL 85 CO 0.09 0.24 0.82 -0.63 0.00 0.00 0.00 175.10 175.62 3i9c s ILE 86 N -0.87 4.73 0.30 2.22 1.09 -1.26 -1.46 121.20 125.94 3i9c s ILE 86 Ca 0.11 1.73 0.11 0.00 -1.10 0.00 0.00 60.65 61.50 3i9c s ILE 86 Cb -0.10 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 37.09 3i9c s ILE 86 CO 0.03 0.33 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.42 3i9c s ILE 87 N 0.14 2.52 0.34 2.92 -1.09 -0.68 -2.22 121.20 123.12 3i9c s ILE 87 Ca 0.41 -2.30 0.06 0.00 -2.23 0.00 0.00 60.65 56.59 3i9c s ILE 87 Cb -0.21 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.21 3i9c s ILE 87 CO 0.24 -0.34 0.48 0.54 -1.23 0.00 0.00 174.94 174.63 3i9c s ASN 88 N -3.56 5.99 0.00 3.58 4.22 -0.71 -4.11 114.94 120.35 3i9c s ASN 88 Ca 0.31 -0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.90 3i9c s ASN 88 Cb -0.03 -1.30 0.00 0.00 1.28 0.00 0.00 41.25 41.20 3i9c s ASN 88 CO 0.16 -0.43 0.70 0.59 -2.04 0.00 0.00 177.10 176.09 3i9c n ASN 89 N -1.66 0.00 -2.28 3.54 4.13 -1.26 0.25 115.26 117.99 3i9c n ASN 89 Ca -0.01 0.25 -0.26 0.00 1.68 0.00 0.00 54.58 56.24 3i9c n ASN 89 Cb 0.58 -0.25 0.01 0.00 -1.54 0.00 0.00 39.78 38.59 3i9c n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i9c n GLN 90 N -1.20 3.47 -3.08 3.52 6.02 -1.26 -5.00 117.38 119.85 3i9c n GLN 90 Ca 0.00 -4.27 -0.09 0.00 -0.01 0.00 0.00 57.00 52.63 3i9c n GLN 90 Cb 0.10 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.09 3i9c n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i9c n LEU 91 N -0.60 -0.41 -3.88 1.08 7.99 0.14 -4.95 117.00 116.37 3i9c n LEU 91 Ca 0.43 -0.31 -0.11 0.00 -0.01 0.00 0.00 56.01 56.01 3i9c n LEU 91 Cb 0.79 -0.46 -0.12 0.00 -0.11 0.00 0.00 43.42 43.51 3i9c n LEU 91 CO 0.39 0.15 -0.29 -1.61 -1.51 0.00 0.00 177.39 174.52 3i9c s GLU 92 N -3.46 0.18 0.43 3.23 2.02 -1.26 -4.89 118.70 114.96 3i9c s GLU 92 Ca 0.03 -0.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.66 3i9c s GLU 92 Cb -0.02 0.08 -0.08 0.00 0.10 0.00 0.00 34.13 34.21 3i9c s GLU 92 CO 0.27 -0.03 1.24 -1.25 0.02 0.00 0.00 175.26 175.50 3i9c s PRO 93 N -0.46 3.84 -0.10 0.39 0.04 -1.26 -1.73 135.00 135.71 3i9c s PRO 93 Ca -0.05 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 3i9c s PRO 93 Cb -0.03 -2.59 -0.27 0.00 0.04 0.00 0.00 34.50 31.65 3i9c s PRO 93 CO 0.00 -0.55 0.45 0.00 0.04 0.00 0.00 177.00 176.95 3i9c h ARG 94 N 2.37 0.26 -6.70 4.56 3.08 -1.80 -3.47 114.38 112.68 3i9c h ARG 94 Ca -0.49 -0.44 -0.40 0.00 0.07 0.00 0.00 59.98 58.71 3i9c h ARG 94 Cb 1.25 0.17 0.21 0.00 0.08 0.00 0.00 29.97 31.68 3i9c h ARG 94 CO 0.61 1.16 -0.60 0.41 -1.07 0.00 0.00 179.97 180.48 3i9c n GLY 95 N 1.93 -2.62 2.21 0.04 0.00 -1.26 -4.95 105.19 100.54 3i9c n GLY 95 Ca -0.29 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 3i9c n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i9c n THR 96 N -4.78 1.52 0.00 2.61 -2.24 -1.26 -5.02 114.28 105.11 3i9c n THR 96 Ca 0.03 -3.03 0.00 0.00 -2.27 0.00 0.00 64.05 58.78 3i9c n THR 96 Cb 0.56 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3i9c n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i9c n ARG 97 N -0.51 0.00 -3.69 -0.78 0.00 -1.26 -5.04 116.66 105.38 3i9c n ARG 97 Ca 0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.89 3i9c n ARG 97 Cb 0.89 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 33.21 3i9c n ARG 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i9c s VAL 98 N -2.00 -0.24 -0.12 5.15 0.11 -1.26 -4.27 120.40 117.76 3i9c s VAL 98 Ca 0.00 0.26 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 3i9c s VAL 98 Cb 0.00 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3i9c s VAL 98 CO 0.00 0.11 0.53 -0.36 -3.33 0.00 0.00 175.10 172.05 3i9c s PHE 99 N 1.97 3.51 0.00 1.54 2.99 -1.18 -4.13 117.98 122.68 3i9c s PHE 99 Ca -0.02 0.95 0.00 0.00 0.00 0.00 0.00 56.93 57.86 3i9c s PHE 99 Cb -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 43.02 40.28 3i9c s PHE 99 CO -0.07 0.12 0.00 0.41 -0.00 0.00 0.00 175.22 175.67 3i9c n GLY 100 N 3.30 0.76 3.47 4.36 0.00 -1.26 -4.59 105.19 111.22 3i9c n GLY 100 Ca -0.05 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 3i9c n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i9c s PRO 101 N -3.50 -1.53 -0.10 1.61 0.02 -1.26 -4.27 135.00 125.97 3i9c s PRO 101 Ca 0.00 0.36 -0.27 0.00 0.02 0.00 0.00 61.00 61.11 3i9c s PRO 101 Cb 0.00 -1.52 0.06 0.00 0.02 0.00 0.00 34.50 33.06 3i9c s PRO 101 CO 0.00 -4.01 0.64 0.14 -0.33 0.00 0.00 177.00 173.44 3i9c s VAL 102 N -2.57 0.01 0.35 3.83 -7.23 -0.85 -4.81 120.40 109.13 3i9c s VAL 102 Ca 0.69 -0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.52 3i9c s VAL 102 Cb -0.17 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 35.72 3i9c s VAL 102 CO 0.60 -0.03 1.47 0.00 -0.31 0.00 0.00 175.10 176.83 3i9c s ALA 103 N -0.80 3.59 -0.49 1.32 0.00 -1.10 -2.64 121.76 121.63 3i9c s ALA 103 Ca -0.08 1.52 0.15 0.00 0.00 0.00 0.00 51.96 53.54 3i9c s ALA 103 Cb -0.02 -3.59 0.78 0.00 0.00 0.00 0.00 23.12 20.29 3i9c s ALA 103 CO 0.07 -0.97 1.46 0.54 0.00 0.00 0.00 175.76 176.85 3i9c n ARG 104 N 0.81 0.10 0.00 0.00 1.74 -1.04 -1.62 116.66 116.65 3i9c n ARG 104 Ca 0.02 0.56 0.02 0.00 -0.77 0.00 0.00 57.85 57.68 3i9c n ARG 104 Cb 0.39 -1.80 0.10 0.00 -1.02 0.00 0.00 32.46 30.14 3i9c n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i9c n GLU 105 N -2.00 0.07 -0.08 5.56 4.71 -1.26 -1.97 120.64 125.67 3i9c n GLU 105 Ca -0.01 0.22 -0.15 0.00 -0.01 0.00 0.00 57.16 57.21 3i9c n GLU 105 Cb 0.04 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 28.86 3i9c n GLU 105 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3i9c h LEU 106 N 0.00 0.00 -0.15 -4.62 3.38 -1.65 -2.87 115.31 109.40 3i9c h LEU 106 Ca 0.00 -0.80 0.05 0.00 0.09 0.00 0.00 57.88 57.22 3i9c h LEU 106 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3i9c h LEU 106 CO 0.00 1.11 -0.28 -0.09 0.09 0.00 0.00 178.44 179.28 3i9c h ARG 107 N -1.00 -0.32 -0.74 1.13 2.43 -1.62 0.78 114.38 115.03 3i9c h ARG 107 Ca -0.10 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3i9c h ARG 107 Cb 1.03 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 3i9c h ARG 107 CO -0.06 -0.22 0.38 0.93 -1.51 0.00 0.00 179.97 179.49 3i9c h GLU 108 N -0.34 0.62 0.00 0.20 4.39 -1.70 0.15 114.58 117.90 3i9c h GLU 108 Ca 0.11 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3i9c h GLU 108 Cb 0.50 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3i9c h GLU 108 CO -0.34 0.41 -0.29 0.87 -1.16 0.00 0.00 179.01 178.50 3i9c h LYS 109 N 0.64 0.00 0.00 2.33 1.79 -0.87 -3.47 116.57 116.98 3i9c h LYS 109 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3i9c h LYS 109 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3i9c h LYS 109 CO -0.27 0.29 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 3i9c n GLY 110 N -0.15 1.88 2.70 3.86 0.00 0.26 -5.04 105.19 108.70 3i9c n GLY 110 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3i9c n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i9c n PHE 111 N -0.64 3.22 -0.30 1.61 3.72 -0.72 -4.85 117.46 119.50 3i9c n PHE 111 Ca 0.00 -2.77 -0.03 0.00 -0.05 0.00 0.00 57.45 54.59 3i9c n PHE 111 Cb 0.00 -0.64 0.02 0.00 -0.94 0.00 0.00 39.48 37.91 3i9c n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3i9c h MET 112 N 2.85 -0.08 -0.80 -1.08 2.86 -1.85 -1.81 114.93 115.03 3i9c h MET 112 Ca 0.42 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.28 3i9c h MET 112 Cb 0.47 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.00 3i9c h MET 112 CO 1.13 -0.05 -0.04 1.63 1.06 0.00 0.00 176.91 180.64 3i9c n LYS 113 N -5.45 -0.07 0.09 1.72 5.02 -1.26 0.44 118.16 118.66 3i9c n LYS 113 Ca 0.07 1.22 -0.22 0.00 -2.02 0.00 0.00 58.31 57.35 3i9c n LYS 113 Cb 0.38 -1.90 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 3i9c n LYS 113 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i9c h ILE 114 N 0.00 1.38 -1.00 -0.18 2.04 -1.76 -2.48 117.51 115.50 3i9c h ILE 114 Ca 0.46 -2.54 0.22 0.00 1.00 0.00 0.00 64.86 64.00 3i9c h ILE 114 Cb 0.89 2.99 -0.12 0.00 -0.74 0.00 0.00 36.82 39.85 3i9c h ILE 114 CO -0.77 0.75 0.60 0.58 0.00 0.00 0.00 178.15 179.30 3i9c h VAL 115 N -0.03 0.62 -0.09 1.67 2.07 0.39 1.41 116.25 122.29 3i9c h VAL 115 Ca -0.19 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 3i9c h VAL 115 Cb 1.86 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3i9c h VAL 115 CO 0.21 0.12 -0.36 0.77 0.02 0.00 0.00 177.57 178.33 3i9c h SER 116 N 0.67 0.48 -0.83 0.57 4.64 -0.60 -3.23 113.55 115.24 3i9c h SER 116 Ca 0.61 -0.63 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3i9c h SER 116 Cb 1.05 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 3i9c h SER 116 CO -0.43 1.03 0.37 -0.07 -0.87 0.00 0.00 176.83 176.86 3i9c h LEU 117 N -0.04 1.11 -9.10 5.97 -0.00 -0.52 -3.45 115.31 109.29 3i9c h LEU 117 Ca -0.02 -0.15 -0.75 0.00 -0.00 0.00 0.00 57.88 56.96 3i9c h LEU 117 Cb 1.00 -0.29 0.05 0.00 -0.00 0.00 0.00 40.66 41.43 3i9c h LEU 117 CO 0.08 0.96 0.19 0.00 -0.00 0.00 0.00 178.44 179.66 3i9c n ALA 118 N -2.43 -2.70 0.38 1.53 0.00 0.47 -4.49 120.51 113.26 3i9c n ALA 118 Ca 0.08 0.57 0.13 0.00 0.00 0.00 0.00 53.44 54.22 3i9c n ALA 118 Cb 0.16 -1.87 0.53 0.00 0.00 0.00 0.00 19.45 18.28 3i9c n ALA 118 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i9c h PRO 119 N 3.50 0.00 -1.48 0.00 0.13 -1.74 -3.44 132.00 128.97 3i9c h PRO 119 Ca -0.49 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 3i9c h PRO 119 Cb 1.40 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.25 3i9c h PRO 119 CO 0.69 0.00 0.45 -2.00 -0.23 0.00 0.00 178.00 176.91 3i9c s GLU 120 N -3.39 0.35 -0.32 0.86 2.12 -1.26 -5.01 118.70 112.05 3i9c s GLU 120 Ca 0.04 0.57 0.01 0.00 0.36 0.00 0.00 54.97 55.95 3i9c s GLU 120 Cb 0.09 0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.65 3i9c s GLU 120 CO 0.44 -0.07 0.03 0.08 -0.54 0.00 0.00 175.26 175.20 3i9c s VAL 121 N 1.12 2.61 -2.47 3.70 1.01 -1.26 -2.00 120.40 123.11 3i9c s VAL 121 Ca -0.07 -1.88 0.20 0.00 0.00 0.00 0.00 61.98 60.23 3i9c s VAL 121 Cb -0.04 -2.70 0.16 0.00 0.00 0.00 0.00 36.38 33.80 3i9c s VAL 121 CO -0.13 -0.35 1.13 0.18 0.00 0.00 0.00 175.10 175.92