#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twc n ASN 2 N 0.00 0.96 -4.68 7.83 2.85 -1.26 -5.02 115.26 115.94 1twc n ASN 2 Ca 0.00 -1.10 -0.42 0.00 -0.11 0.00 0.00 54.58 52.95 1twc n ASN 2 Cb 0.00 0.01 -0.03 0.00 1.24 0.00 0.00 39.78 41.00 1twc n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1twc s ALA 3 N -2.21 3.62 0.17 5.20 0.00 -1.26 -5.02 121.76 122.27 1twc s ALA 3 Ca 0.35 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1twc s ALA 3 Cb 0.21 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1twc s ALA 3 CO 0.41 -1.12 0.96 -1.25 0.00 0.00 0.00 175.76 174.76 1twc s PRO 4 N 3.02 4.76 0.46 0.00 0.04 -1.26 -4.97 135.00 137.05 1twc s PRO 4 Ca 0.68 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 1twc s PRO 4 Cb -0.33 -3.33 -0.11 0.00 0.04 0.00 0.00 34.50 30.76 1twc s PRO 4 CO 0.28 0.34 0.58 -0.25 0.04 0.00 0.00 177.00 177.99 1twc n ASP 5 N 2.23 -0.72 0.17 6.66 8.00 -1.26 -4.91 116.55 126.72 1twc n ASP 5 Ca 0.01 0.87 0.03 0.00 0.71 0.00 0.00 54.79 56.41 1twc n ASP 5 Cb 0.48 -1.15 0.26 0.00 -0.02 0.00 0.00 41.12 40.69 1twc n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1twc h ARG 6 N 0.72 0.00 -0.85 -1.24 2.47 -2.04 -1.41 114.38 112.03 1twc h ARG 6 Ca -0.42 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.46 1twc h ARG 6 Cb 1.39 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.65 1twc h ARG 6 CO 0.51 0.47 0.56 0.27 0.56 0.00 0.00 179.97 182.34 1twc h PHE 7 N 0.00 0.64 0.00 3.04 -5.15 -1.97 0.54 116.94 114.04 1twc h PHE 7 Ca -0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1twc h PHE 7 Cb 0.99 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 36.96 1twc h PHE 7 CO 0.00 0.22 0.13 0.39 -2.00 0.00 0.00 178.31 177.05 1twc n GLU 8 N -4.53 0.00 0.07 6.09 1.02 -0.53 -0.74 120.64 122.02 1twc n GLU 8 Ca 0.17 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.66 1twc n GLU 8 Cb 0.55 -1.63 0.23 0.00 -0.02 0.00 0.00 31.44 30.57 1twc n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1twc n LEU 9 N -1.18 0.71 0.00 -4.62 4.77 0.18 -4.43 117.00 112.44 1twc n LEU 9 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1twc n LEU 9 Cb 0.13 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1twc n LEU 9 CO 0.00 -0.08 0.05 2.22 -1.33 0.00 0.00 177.39 178.25 1twc n PHE 10 N -2.12 0.00 -4.04 -1.77 1.16 0.08 -4.39 117.46 106.38 1twc n PHE 10 Ca 0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.41 1twc n PHE 10 Cb 0.43 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.14 1twc n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1twc s LEU 11 N -0.29 1.13 0.27 5.98 1.02 -1.08 -4.89 118.68 120.82 1twc s LEU 11 Ca 0.00 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 53.74 1twc s LEU 11 Cb 0.00 -0.46 -0.09 0.00 0.02 0.00 0.00 46.19 45.66 1twc s LEU 11 CO 0.00 -0.09 0.96 -0.76 0.02 0.00 0.00 176.35 176.48 1twc s LEU 12 N 1.22 4.54 1.27 1.79 1.02 -1.26 -4.62 118.68 122.64 1twc s LEU 12 Ca -0.06 1.95 -0.19 0.00 0.02 0.00 0.00 54.13 55.85 1twc s LEU 12 Cb -0.14 -3.74 0.31 0.00 0.02 0.00 0.00 46.19 42.65 1twc s LEU 12 CO -0.02 0.05 1.02 -0.83 0.02 0.00 0.00 176.35 176.59 1twc s GLY 13 N -1.28 1.50 0.29 -3.19 0.00 -1.26 -4.95 107.32 98.43 1twc s GLY 13 Ca 0.44 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 1twc s GLY 13 CO 0.30 0.17 1.50 1.85 0.00 0.00 0.00 173.10 176.92 1twc s GLU 14 N -5.08 4.19 0.00 2.90 2.12 -1.26 -3.21 118.70 118.36 1twc s GLU 14 Ca 0.69 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.47 1twc s GLU 14 Cb -0.14 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1twc s GLU 14 CO 0.58 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 1twc n GLY 15 N 1.80 0.00 3.86 -1.50 0.00 -1.26 -4.99 105.19 103.10 1twc n GLY 15 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1twc n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1twc s GLU 16 N -1.86 3.84 0.22 1.61 2.02 -1.20 -5.11 118.70 118.23 1twc s GLU 16 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.31 1twc s GLU 16 Cb 0.00 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 1twc s GLU 16 CO 0.00 0.52 0.36 -1.12 0.02 0.00 0.00 175.26 175.04 1twc s SER 17 N -1.79 6.33 0.14 -0.19 0.01 -1.26 -4.82 113.70 112.11 1twc s SER 17 Ca 0.36 0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.61 1twc s SER 17 Cb -0.14 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.20 1twc s SER 17 CO 0.19 -0.06 1.72 0.11 0.41 0.00 0.00 173.24 175.62 1twc h LYS 18 N 1.48 0.12 -6.77 12.44 1.79 -1.92 -3.39 116.57 120.32 1twc h LYS 18 Ca -0.50 -0.01 -0.68 0.00 -2.18 0.00 0.00 60.65 57.27 1twc h LYS 18 Cb 1.22 -0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 31.63 1twc h LYS 18 CO 0.64 0.08 -0.83 -0.51 -1.08 0.00 0.00 179.45 177.74 1twc s LEU 19 N -10.37 2.49 -0.05 2.94 1.43 -1.26 -2.07 118.68 111.79 1twc s LEU 19 Ca -0.13 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1twc s LEU 19 Cb 0.11 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.94 1twc s LEU 19 CO 0.70 0.20 -0.13 -0.54 0.23 0.00 0.00 176.35 176.81 1twc s LYS 20 N -1.91 1.58 -0.09 1.70 1.02 -1.11 -4.97 119.74 115.96 1twc s LYS 20 Ca 0.15 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.73 1twc s LYS 20 Cb -0.10 -1.34 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1twc s LYS 20 CO 0.07 0.10 -0.18 0.42 -0.92 0.00 0.00 175.35 174.83 1twc s ILE 21 N 0.42 1.64 0.01 2.17 1.01 -1.26 -1.13 121.20 124.05 1twc s ILE 21 Ca -0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1twc s ILE 21 Cb -0.13 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1twc s ILE 21 CO 0.03 0.47 0.02 -1.81 0.00 0.00 0.00 174.94 173.64 1twc s ASP 22 N 0.53 0.14 0.04 3.58 1.01 -0.64 -4.98 116.67 116.35 1twc s ASP 22 Ca -0.16 -0.32 -0.24 0.00 0.71 0.00 0.00 52.55 52.54 1twc s ASP 22 Cb -0.17 0.12 -0.06 0.00 1.01 0.00 0.00 42.92 43.83 1twc s ASP 22 CO 0.06 -0.26 0.72 -2.84 0.21 0.00 0.00 175.17 173.06 1twc s PRO 23 N -1.15 4.45 0.01 8.23 0.02 -1.26 -0.39 135.00 144.91 1twc s PRO 23 Ca -0.13 0.98 -0.21 0.00 0.02 0.00 0.00 61.00 61.67 1twc s PRO 23 Cb -0.08 -3.35 -0.06 0.00 0.02 0.00 0.00 34.50 31.04 1twc s PRO 23 CO -0.00 0.32 0.60 0.34 -0.33 0.00 0.00 177.00 177.93 1twc s ASP 24 N -0.15 7.00 0.04 2.53 -1.08 0.25 -4.82 116.67 120.45 1twc s ASP 24 Ca 0.36 1.20 0.04 0.00 -0.52 0.00 0.00 52.55 53.63 1twc s ASP 24 Cb -0.20 -2.37 -0.24 0.00 -1.46 0.00 0.00 42.92 38.65 1twc s ASP 24 CO 0.22 0.13 0.97 0.74 0.52 0.00 0.00 175.17 177.75 1twc h THR 25 N 4.02 1.30 -0.91 1.71 2.02 -1.95 -3.34 112.91 115.76 1twc h THR 25 Ca -0.46 -3.01 0.20 0.00 0.77 0.00 0.00 66.41 63.91 1twc h THR 25 Cb 1.20 2.72 -0.07 0.00 -1.74 0.00 0.00 68.15 70.26 1twc h THR 25 CO 0.68 0.80 0.60 0.11 0.37 0.00 0.00 175.52 178.08 1twc h LYS 26 N 0.03 0.44 -3.65 6.66 1.79 -1.98 -3.45 116.57 116.41 1twc h LYS 26 Ca -0.17 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 1twc h LYS 26 Cb 1.93 -0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 32.38 1twc h LYS 26 CO 0.13 0.29 -0.14 0.00 -1.08 0.00 0.00 179.45 178.65 1twc s ALA 27 N -5.47 -0.31 0.25 3.86 0.00 -1.25 -5.14 121.76 113.69 1twc s ALA 27 Ca -0.08 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1twc s ALA 27 Cb 0.23 0.98 -0.08 0.00 0.00 0.00 0.00 23.12 24.25 1twc s ALA 27 CO 0.78 -0.79 0.63 -1.25 0.00 0.00 0.00 175.76 175.13 1twc s PRO 28 N -3.98 3.93 -0.91 0.00 0.04 -1.26 -4.29 135.00 128.53 1twc s PRO 28 Ca 0.19 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 1twc s PRO 28 Cb 0.00 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1twc s PRO 28 CO 0.05 0.29 0.77 0.09 0.04 0.00 0.00 177.00 178.23 1twc n ASN 29 N -0.02 -2.54 -4.02 6.66 3.02 -1.26 -4.64 115.26 112.45 1twc n ASN 29 Ca 0.01 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 53.93 1twc n ASN 29 Cb 0.52 -3.95 -0.14 0.00 -0.61 0.00 0.00 39.78 35.61 1twc n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twc s ALA 30 N -3.26 0.69 0.08 5.41 0.00 -1.26 -1.86 121.76 121.55 1twc s ALA 30 Ca 0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 1twc s ALA 30 Cb -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1twc s ALA 30 CO 0.54 0.15 -0.03 0.54 0.00 0.00 0.00 175.76 176.97 1twc s VAL 31 N -0.35 0.33 -0.16 0.00 0.11 0.27 -0.58 120.40 120.02 1twc s VAL 31 Ca 0.02 -1.86 0.00 0.00 -2.93 0.00 0.00 61.98 57.21 1twc s VAL 31 Cb -0.04 -1.65 0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1twc s VAL 31 CO -0.00 -0.88 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.07 1twc s VAL 32 N -3.86 1.57 -0.14 2.04 1.01 0.48 -1.55 120.40 119.94 1twc s VAL 32 Ca 0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1twc s VAL 32 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1twc s VAL 32 CO -0.07 0.40 -0.01 -0.63 0.00 0.00 0.00 175.10 174.79 1twc s ILE 33 N 1.48 4.15 -0.31 2.22 1.09 0.22 -1.62 121.20 128.43 1twc s ILE 33 Ca 0.04 -0.28 -0.08 0.00 -1.10 0.00 0.00 60.65 59.23 1twc s ILE 33 Cb -0.13 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 1twc s ILE 33 CO -0.10 0.51 0.12 -0.89 -0.10 0.00 0.00 174.94 174.48 1twc s THR 34 N 0.07 4.24 -0.33 2.92 2.01 -0.29 -1.51 115.64 122.76 1twc s THR 34 Ca 0.01 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1twc s THR 34 Cb -0.13 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 1twc s THR 34 CO 0.02 0.05 0.69 -0.36 -0.69 0.00 0.00 174.62 174.33 1twc s PHE 35 N 1.54 3.18 0.39 4.92 0.40 0.17 -2.76 117.98 125.83 1twc s PHE 35 Ca 0.03 0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 56.84 1twc s PHE 35 Cb -0.17 -3.13 -0.06 0.00 0.51 0.00 0.00 43.02 40.17 1twc s PHE 35 CO 0.04 -0.57 0.72 -1.21 0.70 0.00 0.00 175.22 174.91 1twc s GLU 36 N 2.77 3.72 -1.38 0.44 0.41 -0.88 -1.87 118.70 121.92 1twc s GLU 36 Ca 0.27 0.34 -0.06 0.00 -0.41 0.00 0.00 54.97 55.11 1twc s GLU 36 Cb -0.14 -2.44 0.01 0.00 -1.78 0.00 0.00 34.13 29.77 1twc s GLU 36 CO 0.13 0.00 0.12 1.63 -0.49 0.00 0.00 175.26 176.65 1twc n LYS 37 N -1.32 -0.81 -4.27 1.61 4.76 -0.96 -4.87 118.16 112.29 1twc n LYS 37 Ca 0.01 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1twc n LYS 37 Cb 0.54 -3.10 -0.09 0.00 -1.84 0.00 0.00 35.03 30.54 1twc n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1twc s GLU 38 N -7.12 1.49 0.00 1.97 0.41 -1.23 -4.64 118.70 109.58 1twc s GLU 38 Ca 0.09 -1.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.82 1twc s GLU 38 Cb -0.05 0.13 0.00 0.00 -1.78 0.00 0.00 34.13 32.43 1twc s GLU 38 CO 0.92 -0.47 0.00 -0.40 -0.49 0.00 0.00 175.26 174.82 1twc n ASP 39 N -0.84 0.00 -0.16 -0.19 5.68 -1.26 -2.85 116.55 116.93 1twc n ASP 39 Ca 0.03 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.35 1twc n ASP 39 Cb 0.65 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.94 1twc n ASP 39 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1twc h HIS 40 N 0.00 0.80 -0.46 2.11 3.86 -1.96 -0.98 115.15 118.51 1twc h HIS 40 Ca 0.00 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1twc h HIS 40 Cb 0.00 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.15 1twc h HIS 40 CO 0.00 0.48 -0.27 2.41 0.86 0.00 0.00 177.93 181.40 1twc n THR 41 N -4.45 -0.31 -0.01 2.45 -1.04 -1.26 -0.80 114.28 108.86 1twc n THR 41 Ca 0.08 1.82 -0.12 0.00 -2.04 0.00 0.00 64.05 63.79 1twc n THR 41 Cb 0.10 -2.31 0.01 0.00 -1.82 0.00 0.00 70.33 66.31 1twc n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1twc h LEU 42 N 0.00 0.72 -0.12 -4.42 5.85 -1.96 -3.29 115.31 112.09 1twc h LEU 42 Ca 0.07 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1twc h LEU 42 Cb 0.19 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1twc h LEU 42 CO -0.44 1.17 -0.20 1.23 -0.34 0.00 0.00 178.44 179.86 1twc h GLY 43 N 0.95 0.38 2.00 3.75 0.00 -0.50 -0.75 103.07 108.90 1twc h GLY 43 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1twc h GLY 43 CO 0.12 0.39 -0.04 -0.57 0.00 0.00 0.00 176.54 176.45 1twc h ASN 44 N -0.07 0.00 0.00 0.19 -1.24 -1.14 -2.41 115.58 110.91 1twc h ASN 44 Ca 0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1twc h ASN 44 Cb 0.77 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.82 1twc h ASN 44 CO 0.05 0.04 -0.29 0.25 -1.29 0.00 0.00 177.43 176.18 1twc h LEU 45 N 0.00 0.00 0.04 0.34 5.85 -1.39 -2.05 115.31 118.11 1twc h LEU 45 Ca -0.00 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1twc h LEU 45 Cb 0.10 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1twc h LEU 45 CO 0.00 0.76 -0.38 0.40 -0.34 0.00 0.00 178.44 178.89 1twc h ILE 46 N -1.00 0.21 -0.84 4.05 1.08 -1.21 0.64 117.51 120.43 1twc h ILE 46 Ca -0.04 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.64 1twc h ILE 46 Cb 0.45 0.21 -0.15 0.00 -3.07 0.00 0.00 36.82 34.26 1twc h ILE 46 CO -0.02 0.00 0.06 -0.09 -0.69 0.00 0.00 178.15 177.40 1twc h ARG 47 N -0.57 0.10 -0.08 2.37 1.12 -1.56 -1.67 114.38 114.10 1twc h ARG 47 Ca 0.04 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.74 1twc h ARG 47 Cb 0.63 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 1twc h ARG 47 CO -0.27 0.07 -0.69 0.00 -3.11 0.00 0.00 179.97 175.97 1twc h ALA 48 N 1.79 0.68 0.35 2.80 0.00 -0.11 -3.03 119.26 121.75 1twc h ALA 48 Ca 0.49 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1twc h ALA 48 Cb 0.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1twc h ALA 48 CO -0.73 0.76 -0.25 0.93 0.00 0.00 0.00 179.25 179.96 1twc h GLU 49 N 0.24 -0.58 -0.20 0.00 4.39 -1.18 -2.88 114.58 114.38 1twc h GLU 49 Ca -0.02 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1twc h GLU 49 Cb 1.24 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1twc h GLU 49 CO 0.11 -0.39 0.90 -0.07 -1.16 0.00 0.00 179.01 178.41 1twc h LEU 50 N -0.60 0.00 -0.95 1.33 3.38 -1.19 0.92 115.31 118.20 1twc h LEU 50 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1twc h LEU 50 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1twc h LEU 50 CO 0.01 0.00 -0.16 -0.11 0.09 0.00 0.00 178.44 178.27 1twc n LEU 51 N -2.75 1.64 0.07 1.67 7.94 -1.09 -3.60 117.00 120.88 1twc n LEU 51 Ca 0.04 -0.53 0.06 0.00 -1.11 0.00 0.00 56.01 54.47 1twc n LEU 51 Cb 0.97 -0.04 -0.04 0.00 0.53 0.00 0.00 43.42 44.83 1twc n LEU 51 CO 0.08 0.29 -0.16 0.59 -1.11 0.00 0.00 177.39 177.08 1twc n ASN 52 N 0.04 0.82 -4.61 1.96 3.02 0.32 -4.82 115.26 111.99 1twc n ASN 52 Ca 0.15 0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.60 1twc n ASN 52 Cb 0.41 0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.92 1twc n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1twc s ASP 53 N -5.52 6.16 0.44 6.41 -1.08 -1.23 -4.96 116.67 116.88 1twc s ASP 53 Ca -0.02 1.25 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 1twc s ASP 53 Cb 0.09 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 40.01 1twc s ASP 53 CO 0.80 -1.50 1.83 0.03 0.52 0.00 0.00 175.17 176.85 1twc h ARG 54 N 11.62 0.00 0.00 4.34 3.08 -1.89 -2.18 114.38 129.34 1twc h ARG 54 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1twc h ARG 54 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1twc h ARG 54 CO 1.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.57 1twc n LYS 55 N -2.86 0.29 -2.55 0.04 5.02 -1.26 -4.71 118.16 112.12 1twc n LYS 55 Ca 0.02 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1twc n LYS 55 Cb 0.36 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1twc n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1twc s VAL 56 N -2.65 4.09 -0.05 -0.18 1.01 -0.82 -1.11 120.40 120.68 1twc s VAL 56 Ca 0.21 1.06 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 1twc s VAL 56 Cb 0.16 -4.59 -0.31 0.00 0.00 0.00 0.00 36.38 31.64 1twc s VAL 56 CO 0.39 -1.10 0.72 -0.07 0.00 0.00 0.00 175.10 175.04 1twc h LEU 57 N 11.67 0.58 -7.44 3.92 3.38 -1.45 -3.48 115.31 122.49 1twc h LEU 57 Ca -0.24 -0.91 -0.18 0.00 0.09 0.00 0.00 57.88 56.63 1twc h LEU 57 Cb 1.07 -0.19 -0.27 0.00 0.09 0.00 0.00 40.66 41.35 1twc h LEU 57 CO 1.15 1.68 -0.47 0.12 0.09 0.00 0.00 178.44 181.01 1twc s PHE 58 N -2.53 -0.28 -0.13 1.13 5.36 -0.79 -4.94 117.98 115.80 1twc s PHE 58 Ca -0.16 0.67 -0.18 0.00 -0.96 0.00 0.00 56.93 56.31 1twc s PHE 58 Cb 0.04 0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.83 1twc s PHE 58 CO 0.84 -0.16 0.46 0.00 -1.46 0.00 0.00 175.22 174.90 1twc s ALA 59 N 0.57 -1.16 -0.18 11.12 0.00 -1.25 0.19 121.76 131.04 1twc s ALA 59 Ca -0.04 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1twc s ALA 59 Cb -0.05 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.70 1twc s ALA 59 CO -0.03 -0.25 1.04 0.00 0.00 0.00 0.00 175.76 176.52 1twc s ALA 60 N -0.26 -1.96 0.10 0.00 0.00 -0.44 -5.01 121.76 114.19 1twc s ALA 60 Ca -0.04 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1twc s ALA 60 Cb -0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1twc s ALA 60 CO 0.03 -0.29 -0.08 1.52 0.00 0.00 0.00 175.76 176.93 1twc s TYR 61 N -0.98 0.99 -0.15 0.00 -0.85 -1.26 -0.42 117.35 114.68 1twc s TYR 61 Ca -0.00 -0.78 -0.22 0.00 -0.52 0.00 0.00 57.07 55.55 1twc s TYR 61 Cb -0.01 -0.55 0.05 0.00 0.38 0.00 0.00 41.96 41.84 1twc s TYR 61 CO -0.00 -0.06 0.56 -1.59 -1.52 0.00 0.00 175.55 172.94 1twc s LYS 62 N -3.33 0.76 -0.41 -3.49 -2.85 -0.76 -4.94 119.74 104.71 1twc s LYS 62 Ca 0.09 0.53 -0.14 0.00 -1.00 0.00 0.00 55.97 55.46 1twc s LYS 62 Cb 0.01 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 36.17 1twc s LYS 62 CO -0.02 -0.15 0.28 0.54 0.10 0.00 0.00 175.35 176.10 1twc s VAL 63 N -0.27 5.01 0.45 1.79 0.11 -1.26 -2.06 120.40 124.16 1twc s VAL 63 Ca -0.04 -0.80 0.14 0.00 -2.93 0.00 0.00 61.98 58.35 1twc s VAL 63 Cb -0.03 -3.83 0.18 0.00 -1.53 0.00 0.00 36.38 31.17 1twc s VAL 63 CO 0.03 -0.33 1.99 -0.33 -3.33 0.00 0.00 175.10 173.14 1twc h GLU 64 N 8.58 0.00 -3.14 1.54 5.08 -1.94 -3.43 114.58 121.28 1twc h GLU 64 Ca -0.26 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1twc h GLU 64 Cb 1.11 -0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.10 1twc h GLU 64 CO 0.73 0.18 -0.44 -1.58 -1.00 0.00 0.00 179.01 176.90 1twc s HIS 65 N -4.65 -0.27 -1.08 4.33 2.46 -1.26 -5.02 115.29 109.81 1twc s HIS 65 Ca -0.04 0.66 0.11 0.00 0.47 0.00 0.00 55.06 56.26 1twc s HIS 65 Cb 0.16 0.08 0.48 0.00 -0.13 0.00 0.00 32.58 33.17 1twc s HIS 65 CO 0.70 -0.14 1.33 -0.35 -2.47 0.00 0.00 174.74 173.80 1twc n PRO 66 N 3.12 0.03 0.07 2.88 -0.04 -1.26 -1.71 135.00 138.09 1twc n PRO 66 Ca -0.14 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1twc n PRO 66 Cb 0.58 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.83 1twc n PRO 66 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1twc n PHE 67 N -1.46 0.61 -5.23 0.54 0.99 -1.26 -4.81 117.46 106.84 1twc n PHE 67 Ca 0.03 0.18 -0.31 0.00 -0.00 0.00 0.00 57.45 57.35 1twc n PHE 67 Cb 0.12 -0.72 -0.16 0.00 -1.00 0.00 0.00 39.48 37.73 1twc n PHE 67 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1twc s PHE 68 N -3.12 2.37 -0.94 1.38 0.40 -0.69 -5.05 117.98 112.33 1twc s PHE 68 Ca 0.09 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.84 1twc s PHE 68 Cb 0.14 -1.51 0.15 0.00 0.51 0.00 0.00 43.02 42.31 1twc s PHE 68 CO 0.66 0.00 1.10 0.00 0.70 0.00 0.00 175.22 177.68 1twc s ALA 69 N -0.64 3.55 -0.14 5.36 0.00 -1.26 -4.79 121.76 123.84 1twc s ALA 69 Ca 0.10 -2.92 -0.22 0.00 0.00 0.00 0.00 51.96 48.92 1twc s ALA 69 Cb -0.10 -3.97 0.06 0.00 0.00 0.00 0.00 23.12 19.10 1twc s ALA 69 CO -0.01 -2.85 0.57 -0.98 0.00 0.00 0.00 175.76 172.50 1twc s ARG 70 N 2.14 0.78 0.28 0.00 1.70 -1.13 -2.28 118.95 120.44 1twc s ARG 70 Ca 0.31 0.52 0.02 0.00 -0.47 0.00 0.00 55.73 56.11 1twc s ARG 70 Cb -0.05 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1twc s ARG 70 CO -0.09 -0.16 0.11 -0.59 -1.08 0.00 0.00 175.30 173.50 1twc s PHE 71 N -0.32 1.58 -0.03 5.89 -0.12 -0.78 -4.68 117.98 119.51 1twc s PHE 71 Ca -0.05 -1.23 0.01 0.00 -0.05 0.00 0.00 56.93 55.60 1twc s PHE 71 Cb -0.03 -0.91 0.03 0.00 -0.63 0.00 0.00 43.02 41.48 1twc s PHE 71 CO 0.04 -0.38 -0.01 0.15 -0.05 0.00 0.00 175.22 174.97 1twc s LYS 72 N -3.96 0.37 -0.06 1.99 1.02 -0.88 -0.65 119.74 117.57 1twc s LYS 72 Ca 0.37 0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.45 1twc s LYS 72 Cb 0.07 -0.52 -0.00 0.00 -0.52 0.00 0.00 37.83 36.85 1twc s LYS 72 CO 0.15 -0.13 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.09 1twc s LEU 73 N 0.99 1.95 -0.19 3.17 0.20 -0.57 -1.83 118.68 122.41 1twc s LEU 73 Ca -0.10 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.30 1twc s LEU 73 Cb -0.14 -1.13 0.01 0.00 -0.43 0.00 0.00 46.19 44.50 1twc s LEU 73 CO -0.01 0.16 -0.17 -0.60 -0.29 0.00 0.00 176.35 175.44 1twc s ARG 74 N 0.13 3.08 -0.09 1.98 3.52 0.44 0.70 118.95 128.71 1twc s ARG 74 Ca -0.08 -0.78 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 1twc s ARG 74 Cb -0.14 -2.66 -0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1twc s ARG 74 CO 0.04 -0.19 -0.23 0.42 -0.81 0.00 0.00 175.30 174.54 1twc s ILE 75 N 1.29 2.20 0.03 4.11 1.01 -0.60 -1.33 121.20 127.92 1twc s ILE 75 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1twc s ILE 75 Cb -0.13 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1twc s ILE 75 CO -0.10 0.56 -0.16 -1.58 0.00 0.00 0.00 174.94 173.66 1twc s GLN 76 N 0.22 2.16 0.05 2.79 0.74 0.13 -0.57 119.66 125.18 1twc s GLN 76 Ca -0.14 -0.94 -0.01 0.00 0.05 0.00 0.00 55.36 54.33 1twc s GLN 76 Cb -0.17 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 1twc s GLN 76 CO 0.07 0.55 -0.03 0.95 -0.55 0.00 0.00 175.29 176.28 1twc s THR 77 N -0.93 0.26 0.62 -0.34 -4.23 -0.77 -1.23 115.64 109.01 1twc s THR 77 Ca 0.15 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1twc s THR 77 Cb -0.11 -1.50 -0.06 0.00 1.34 0.00 0.00 72.50 72.18 1twc s THR 77 CO 0.05 -0.98 0.71 0.35 -0.54 0.00 0.00 174.62 174.22 1twc n THR 78 N 0.14 2.78 -2.11 3.99 -2.24 -0.27 -4.69 114.28 111.88 1twc n THR 78 Ca -0.14 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1twc n THR 78 Cb 0.61 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1twc n THR 78 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1twc s GLU 79 N -2.52 4.24 0.00 -0.78 2.12 -1.26 -0.92 118.70 119.58 1twc s GLU 79 Ca 0.71 2.10 0.00 0.00 0.36 0.00 0.00 54.97 58.14 1twc s GLU 79 Cb -0.41 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1twc s GLU 79 CO 0.52 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 1twc n GLY 80 N 3.81 0.41 3.11 -1.50 0.00 -1.26 -5.05 105.19 104.71 1twc n GLY 80 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1twc n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1twc s TYR 81 N -2.00 3.21 0.14 1.61 6.04 -0.10 -5.07 117.35 121.19 1twc s TYR 81 Ca 0.00 -2.09 -0.31 0.00 0.04 0.00 0.00 57.07 54.71 1twc s TYR 81 Cb 0.00 -1.98 -0.08 0.00 -1.04 0.00 0.00 41.96 38.86 1twc s TYR 81 CO 0.00 -0.84 1.31 0.34 -1.54 0.00 0.00 175.55 174.82 1twc s ASP 82 N 1.17 6.91 0.21 4.32 -1.08 -1.26 -4.65 116.67 122.30 1twc s ASP 82 Ca -0.06 2.30 -0.11 0.00 -0.52 0.00 0.00 52.55 54.15 1twc s ASP 82 Cb -0.19 -2.60 0.27 0.00 -1.46 0.00 0.00 42.92 38.94 1twc s ASP 82 CO -0.05 -0.55 1.68 1.55 0.52 0.00 0.00 175.17 178.32 1twc h PRO 83 N 6.13 0.14 -0.43 4.34 0.13 -1.92 -2.76 132.00 137.63 1twc h PRO 83 Ca -0.43 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 1twc h PRO 83 Cb 1.21 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1twc h PRO 83 CO 0.81 0.09 0.33 0.87 -0.23 0.00 0.00 178.00 179.88 1twc h LYS 84 N 0.14 0.00 0.00 0.86 1.57 -1.97 0.17 116.57 117.34 1twc h LYS 84 Ca 0.30 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1twc h LYS 84 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1twc h LYS 84 CO -0.47 0.00 -0.43 -0.44 -0.57 0.00 0.00 179.45 177.54 1twc h ASP 85 N 0.00 0.00 1.64 0.86 3.32 -1.88 -1.75 116.42 118.62 1twc h ASP 85 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1twc h ASP 85 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1twc h ASP 85 CO -0.00 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1twc h ALA 86 N 1.57 1.00 0.07 3.45 0.00 -0.51 0.51 119.26 125.36 1twc h ALA 86 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1twc h ALA 86 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1twc h ALA 86 CO 0.06 0.00 -1.69 1.25 0.00 0.00 0.00 179.25 178.87 1twc h LEU 87 N 0.00 0.23 0.08 0.00 5.85 -1.42 -0.76 115.31 119.29 1twc h LEU 87 Ca 0.00 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1twc h LEU 87 Cb 0.82 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1twc h LEU 87 CO 0.00 1.37 -0.04 0.11 -0.34 0.00 0.00 178.44 179.54 1twc h LYS 88 N 0.04 -0.10 -0.70 1.25 1.57 -1.03 0.57 116.57 118.17 1twc h LYS 88 Ca -0.29 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1twc h LYS 88 Cb 2.01 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 34.30 1twc h LYS 88 CO 0.11 0.07 0.48 -0.91 -0.57 0.00 0.00 179.45 178.63 1twc h ASN 89 N -0.25 0.27 0.12 0.86 2.35 -0.90 -0.61 115.58 117.42 1twc h ASN 89 Ca -0.01 0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.49 1twc h ASN 89 Cb 0.21 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1twc h ASN 89 CO 0.02 0.14 -1.35 0.00 -1.65 0.00 0.00 177.43 174.59 1twc h ALA 90 N 1.66 0.13 -0.15 -0.83 0.00 -1.02 -2.03 119.26 117.02 1twc h ALA 90 Ca 0.34 -1.03 0.04 0.00 0.00 0.00 0.00 54.91 54.27 1twc h ALA 90 Cb 0.93 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1twc h ALA 90 CO -0.08 0.77 -0.15 0.00 0.00 0.00 0.00 179.25 179.79 1twc h ASN 92 N -0.17 -2.14 -1.14 0.00 2.35 -1.20 0.12 115.58 113.39 1twc h ASN 92 Ca 0.10 0.33 0.34 0.00 -0.55 0.00 0.00 56.30 56.51 1twc h ASN 92 Cb 0.32 0.95 -0.11 0.00 0.05 0.00 0.00 38.32 39.52 1twc h ASN 92 CO -0.25 -0.24 0.73 0.28 -1.65 0.00 0.00 177.43 176.30 1twc h SER 93 N -0.02 0.37 0.32 5.81 0.02 -1.27 -2.87 113.55 115.90 1twc h SER 93 Ca 0.16 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1twc h SER 93 Cb 0.42 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1twc h SER 93 CO -0.93 -0.04 -0.15 0.40 -1.14 0.00 0.00 176.83 174.97 1twc h ILE 94 N 0.26 0.00 -0.83 3.27 1.08 -0.52 -1.76 117.51 119.01 1twc h ILE 94 Ca 0.70 -0.37 0.24 0.00 -0.39 0.00 0.00 64.86 65.03 1twc h ILE 94 Cb 1.94 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1twc h ILE 94 CO -0.37 0.00 0.68 0.40 -0.69 0.00 0.00 178.15 178.17 1twc h ILE 95 N -0.80 0.42 0.03 -0.67 2.04 -0.98 0.35 117.51 117.91 1twc h ILE 95 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1twc h ILE 95 Cb 0.33 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1twc h ILE 95 CO 0.07 0.00 -0.02 0.78 0.00 0.00 0.00 178.15 178.99 1twc h ASN 96 N 0.00 -0.04 1.24 1.72 2.35 -1.54 -1.17 115.58 118.14 1twc h ASN 96 Ca 0.40 -0.63 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1twc h ASN 96 Cb 1.75 0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.13 1twc h ASN 96 CO -0.00 0.64 0.00 0.29 -1.65 0.00 0.00 177.43 176.71 1twc n LYS 97 N -4.78 0.20 -0.10 0.81 5.02 0.11 -1.97 118.16 117.45 1twc n LYS 97 Ca -0.09 0.22 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 1twc n LYS 97 Cb 0.33 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 1twc n LYS 97 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1twc h LEU 98 N 0.00 0.00 0.00 -0.35 3.38 -1.30 -2.70 115.31 114.35 1twc h LEU 98 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1twc h LEU 98 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1twc h LEU 98 CO 0.00 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.62 1twc n GLY 99 N 1.43 0.00 0.29 0.83 0.00 -0.44 -0.63 105.19 106.68 1twc n GLY 99 Ca -0.32 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1twc n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twc h ALA 100 N 0.00 -1.18 -0.93 4.61 0.00 -1.32 -2.86 119.26 117.57 1twc h ALA 100 Ca 0.00 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.98 1twc h ALA 100 Cb 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1twc h ALA 100 CO 0.00 -1.13 0.63 1.25 0.00 0.00 0.00 179.25 179.99 1twc h LEU 101 N -0.73 0.31 -0.94 0.00 7.12 -0.91 -0.55 115.31 119.61 1twc h LEU 101 Ca -0.07 0.04 -0.10 0.00 0.13 0.00 0.00 57.88 57.87 1twc h LEU 101 Cb 0.56 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 1twc h LEU 101 CO 0.11 0.11 -0.49 0.50 -0.13 0.00 0.00 178.44 178.54 1twc h LYS 102 N 0.30 0.00 0.18 1.25 3.64 -0.69 -1.79 116.57 119.46 1twc h LYS 102 Ca 0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 1twc h LYS 102 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1twc h LYS 102 CO -0.15 0.49 -0.09 1.15 -2.27 0.00 0.00 179.45 178.58 1twc h THR 103 N 0.00 0.00 -0.36 1.00 2.02 -0.98 0.33 112.91 114.92 1twc h THR 103 Ca -0.00 -0.30 0.10 0.00 0.77 0.00 0.00 66.41 66.98 1twc h THR 103 Cb 0.93 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1twc h THR 103 CO 0.06 0.00 0.62 0.78 0.37 0.00 0.00 175.52 177.35 1twc h ASN 104 N -0.54 0.00 0.00 4.18 4.21 -1.11 -1.66 115.58 120.66 1twc h ASN 104 Ca -0.02 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 1twc h ASN 104 Cb 0.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 1twc h ASN 104 CO 0.04 0.00 -0.62 0.15 -1.29 0.00 0.00 177.43 175.71 1twc h PHE 105 N 0.00 0.00 -1.44 1.19 3.57 -1.40 -2.75 116.94 116.11 1twc h PHE 105 Ca 0.17 0.00 0.42 0.00 3.53 0.00 0.00 57.97 62.09 1twc h PHE 105 Cb 1.40 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.08 1twc h PHE 105 CO 0.00 0.59 1.04 0.93 -2.23 0.00 0.00 178.31 178.64 1twc h GLU 106 N -1.00 0.00 0.24 1.11 5.08 -0.02 -0.37 114.58 119.63 1twc h GLU 106 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1twc h GLU 106 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1twc h GLU 106 CO -0.07 0.00 -0.12 1.15 -1.00 0.00 0.00 179.01 178.97 1twc h THR 107 N 0.00 0.21 0.00 1.13 2.02 -1.46 -3.24 112.91 111.56 1twc h THR 107 Ca 0.68 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1twc h THR 107 Cb 2.75 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1twc h THR 107 CO -0.01 0.06 0.03 -0.33 0.37 0.00 0.00 175.52 175.64 1twc h GLU 108 N -1.05 0.00 0.00 6.66 4.39 -0.75 0.20 114.58 124.03 1twc h GLU 108 Ca -0.03 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1twc h GLU 108 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1twc h GLU 108 CO 0.05 0.00 -1.38 1.87 -1.16 0.00 0.00 179.01 178.39 1twc n TRP 109 N -2.28 0.91 0.03 4.33 -0.00 -1.06 -3.60 117.44 115.76 1twc n TRP 109 Ca -0.01 0.29 -0.22 0.00 -0.00 0.00 0.00 57.50 57.56 1twc n TRP 109 Cb 0.06 -1.03 -0.14 0.00 -0.00 0.00 0.00 31.31 30.20 1twc n TRP 109 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1twc h ASN 110 N 0.00 0.46 0.00 5.87 2.35 -0.64 -3.29 115.58 120.32 1twc h ASN 110 Ca -0.13 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.73 1twc h ASN 110 Cb 1.45 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1twc h ASN 110 CO 0.03 1.72 0.00 0.18 -1.65 0.00 0.00 177.43 177.72 1twc n LEU 111 N -3.74 0.00 -4.23 1.61 4.77 -0.88 -4.62 117.00 109.91 1twc n LEU 111 Ca -0.27 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.43 1twc n LEU 111 Cb 0.98 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.91 1twc n LEU 111 CO 0.44 0.00 -0.54 -1.58 -1.33 0.00 0.00 177.39 174.39 1twc s GLN 112 N -0.61 1.85 0.09 3.23 2.00 -1.24 -5.11 119.66 119.86 1twc s GLN 112 Ca 0.00 -0.78 0.08 0.00 -2.00 0.00 0.00 55.36 52.67 1twc s GLN 112 Cb 0.00 -1.74 -0.04 0.00 0.80 0.00 0.00 33.01 32.03 1twc s GLN 112 CO 0.00 0.44 -0.19 0.95 -0.50 0.00 0.00 175.29 175.99 1twc s THR 113 N -0.42 2.79 0.00 -0.34 -4.23 -1.26 -5.05 115.64 107.13 1twc s THR 113 Ca 0.06 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1twc s THR 113 Cb -0.09 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1twc s THR 113 CO -0.00 0.19 0.00 -0.11 -0.54 0.00 0.00 174.62 174.16