#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh n ASN 2 N 0.00 0.72 -4.71 7.83 2.85 -1.26 -5.00 115.26 115.69 1twh n ASN 2 Ca 0.00 -0.88 -0.42 0.00 -0.11 0.00 0.00 54.58 53.16 1twh n ASN 2 Cb 0.00 -0.01 -0.03 0.00 1.24 0.00 0.00 39.78 40.98 1twh n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1twh s ALA 3 N -2.31 3.67 0.19 5.20 0.00 -1.26 -5.04 121.76 122.22 1twh s ALA 3 Ca 0.33 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1twh s ALA 3 Cb 0.20 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1twh s ALA 3 CO 0.44 -0.78 0.93 -1.25 0.00 0.00 0.00 175.76 175.10 1twh s PRO 4 N 1.48 4.78 0.68 0.00 0.04 -1.26 -4.99 135.00 135.73 1twh s PRO 4 Ca 0.68 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1twh s PRO 4 Cb -0.39 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 1twh s PRO 4 CO 0.31 0.44 0.84 -0.25 0.04 0.00 0.00 177.00 178.37 1twh n ASP 5 N 1.89 0.09 0.18 6.66 8.00 -1.26 -4.92 116.55 127.18 1twh n ASP 5 Ca -0.01 0.69 0.03 0.00 0.71 0.00 0.00 54.79 56.21 1twh n ASP 5 Cb 0.48 -1.34 0.31 0.00 -0.02 0.00 0.00 41.12 40.55 1twh n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1twh h ARG 6 N -0.05 0.00 -1.24 -1.24 2.47 -2.04 -1.11 114.38 111.17 1twh h ARG 6 Ca -0.47 0.00 0.36 0.00 -1.26 0.00 0.00 59.98 58.61 1twh h ARG 6 Cb 1.35 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.61 1twh h ARG 6 CO 0.47 0.44 0.88 0.27 0.56 0.00 0.00 179.97 182.59 1twh h PHE 7 N 0.00 0.10 0.00 3.04 -5.15 -1.97 0.62 116.94 113.58 1twh h PHE 7 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1twh h PHE 7 Cb 0.87 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.01 1twh h PHE 7 CO 0.00 -0.00 0.09 0.39 -2.00 0.00 0.00 178.31 176.79 1twh n GLU 8 N -4.24 0.02 0.09 6.09 1.02 -0.42 -0.64 120.64 122.57 1twh n GLU 8 Ca 0.27 0.46 0.12 0.00 -0.02 0.00 0.00 57.16 57.99 1twh n GLU 8 Cb 1.27 -1.67 0.24 0.00 -0.02 0.00 0.00 31.44 31.26 1twh n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1twh h LEU 9 N 0.00 0.00 -0.08 -4.62 3.38 0.04 -3.40 115.31 110.64 1twh h LEU 9 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1twh h LEU 9 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1twh h LEU 9 CO 0.00 0.05 0.00 2.22 0.09 0.00 0.00 178.44 180.80 1twh n PHE 10 N -2.29 0.00 -4.65 1.13 1.16 0.18 -4.34 117.46 108.65 1twh n PHE 10 Ca 0.04 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.34 1twh n PHE 10 Cb 0.45 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.16 1twh n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1twh s LEU 11 N -0.92 1.77 0.14 5.98 1.02 -1.02 -4.85 118.68 120.81 1twh s LEU 11 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 1twh s LEU 11 Cb 0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 46.19 45.09 1twh s LEU 11 CO 0.00 0.05 0.35 -0.76 0.02 0.00 0.00 176.35 176.02 1twh s LEU 12 N 0.75 4.27 0.68 1.79 1.02 -1.26 -4.56 118.68 121.38 1twh s LEU 12 Ca -0.12 0.51 -0.08 0.00 0.02 0.00 0.00 54.13 54.46 1twh s LEU 12 Cb -0.16 -3.24 0.03 0.00 0.02 0.00 0.00 46.19 42.85 1twh s LEU 12 CO 0.02 0.05 1.03 -0.83 0.02 0.00 0.00 176.35 176.64 1twh s GLY 13 N -2.58 1.63 0.64 -3.19 0.00 -1.26 -4.99 107.32 97.57 1twh s GLY 13 Ca 0.40 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1twh s GLY 13 CO 0.26 -0.29 0.80 -2.21 0.00 0.00 0.00 173.10 171.67 1twh n GLU 14 N -2.90 0.65 -0.65 2.90 2.13 -1.26 -2.82 120.64 118.69 1twh n GLU 14 Ca 0.07 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1twh n GLU 14 Cb 0.59 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1twh n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1twh n GLY 15 N 1.42 0.00 3.94 8.31 0.00 -1.26 -4.95 105.19 112.65 1twh n GLY 15 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1twh n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1twh s GLU 16 N -1.30 3.43 0.33 1.61 2.02 -1.13 -5.12 118.70 118.53 1twh s GLU 16 Ca 0.00 -0.58 0.10 0.00 0.02 0.00 0.00 54.97 54.50 1twh s GLU 16 Cb 0.00 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 1twh s GLU 16 CO 0.00 0.53 -0.04 -1.12 0.02 0.00 0.00 175.26 174.65 1twh s SER 17 N -3.13 4.04 0.10 -0.19 0.01 -1.26 -4.79 113.70 108.48 1twh s SER 17 Ca 0.34 -1.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.42 1twh s SER 17 Cb -0.11 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 1twh s SER 17 CO 0.28 -0.17 1.58 0.11 0.41 0.00 0.00 173.24 175.45 1twh h LYS 18 N 1.92 0.51 -6.16 12.44 1.79 -1.93 -3.39 116.57 121.74 1twh h LYS 18 Ca -0.42 -0.14 -0.53 0.00 -2.18 0.00 0.00 60.65 57.38 1twh h LYS 18 Cb 1.25 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.78 1twh h LYS 18 CO 0.66 0.60 -0.54 -0.51 -1.08 0.00 0.00 179.45 178.58 1twh s LEU 19 N -9.59 3.42 0.00 2.94 1.43 -1.26 -1.79 118.68 113.84 1twh s LEU 19 Ca -0.13 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1twh s LEU 19 Cb 0.08 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1twh s LEU 19 CO 0.75 -0.19 -0.03 -0.54 0.23 0.00 0.00 176.35 176.56 1twh s LYS 20 N -3.84 0.25 -0.04 1.70 1.02 -1.11 -4.94 119.74 112.78 1twh s LYS 20 Ca 0.36 -0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1twh s LYS 20 Cb -0.05 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1twh s LYS 20 CO 0.23 0.04 -0.13 0.42 -0.92 0.00 0.00 175.35 175.00 1twh s ILE 21 N -0.34 1.13 -0.02 2.17 1.01 -1.26 -1.68 121.20 122.20 1twh s ILE 21 Ca -0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1twh s ILE 21 Cb -0.03 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.47 1twh s ILE 21 CO -0.00 0.34 0.34 -1.81 0.00 0.00 0.00 174.94 173.81 1twh s ASP 22 N 0.28 -0.24 -0.02 3.58 1.01 -1.02 -5.01 116.67 115.26 1twh s ASP 22 Ca -0.07 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.25 1twh s ASP 22 Cb -0.12 0.36 -0.05 0.00 1.01 0.00 0.00 42.92 44.12 1twh s ASP 22 CO 0.02 -0.44 0.33 -2.16 0.21 0.00 0.00 175.17 173.13 1twh s PRO 23 N -1.22 3.75 -0.08 8.23 0.05 -1.26 0.22 135.00 144.68 1twh s PRO 23 Ca -0.13 0.20 -0.11 0.00 0.05 0.00 0.00 61.00 61.02 1twh s PRO 23 Cb -0.05 -3.17 -0.05 0.00 0.05 0.00 0.00 34.50 31.29 1twh s PRO 23 CO 0.04 0.69 0.26 0.34 0.05 0.00 0.00 177.00 178.39 1twh s ASP 24 N -1.22 6.56 0.01 6.66 3.68 -0.85 -4.83 116.67 126.68 1twh s ASP 24 Ca 0.23 0.67 -0.07 0.00 2.13 0.00 0.00 52.55 55.50 1twh s ASP 24 Cb -0.15 -2.15 -0.30 0.00 -1.45 0.00 0.00 42.92 38.87 1twh s ASP 24 CO 0.12 0.35 0.89 0.74 0.13 0.00 0.00 175.17 177.40 1twh h THR 25 N 3.93 1.19 -0.91 1.71 2.02 -1.95 -3.33 112.91 115.57 1twh h THR 25 Ca -0.52 -2.76 0.26 0.00 0.77 0.00 0.00 66.41 64.16 1twh h THR 25 Cb 1.22 2.84 -0.04 0.00 -1.74 0.00 0.00 68.15 70.44 1twh h THR 25 CO 0.61 0.84 0.75 0.11 0.37 0.00 0.00 175.52 178.19 1twh h LYS 26 N 0.09 0.00 -3.53 6.66 1.79 -1.99 -3.44 116.57 116.15 1twh h LYS 26 Ca -0.25 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.16 1twh h LYS 26 Cb 2.06 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 32.58 1twh h LYS 26 CO 0.19 0.00 -0.15 0.00 -1.08 0.00 0.00 179.45 178.41 1twh s ALA 27 N -4.80 -0.66 0.11 3.86 0.00 -1.25 -5.17 121.76 113.85 1twh s ALA 27 Ca -0.05 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 1twh s ALA 27 Cb 0.20 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 1twh s ALA 27 CO 0.69 -0.64 0.47 -1.25 0.00 0.00 0.00 175.76 175.04 1twh s PRO 28 N -3.85 3.86 -0.45 0.00 0.04 -1.26 -4.33 135.00 129.01 1twh s PRO 28 Ca 0.06 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.41 1twh s PRO 28 Cb 0.02 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 1twh s PRO 28 CO -0.09 0.52 0.38 0.09 0.04 0.00 0.00 177.00 177.94 1twh n ASN 29 N 0.86 -2.72 -3.85 6.66 3.02 -1.26 -4.62 115.26 113.35 1twh n ASN 29 Ca -0.07 -0.26 -0.10 0.00 -0.03 0.00 0.00 54.58 54.12 1twh n ASN 29 Cb 0.52 -2.35 -0.09 0.00 -0.61 0.00 0.00 39.78 37.26 1twh n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twh s ALA 30 N -3.15 -0.34 0.09 5.41 0.00 -1.26 -1.94 121.76 120.58 1twh s ALA 30 Ca 0.07 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 1twh s ALA 30 Cb -0.01 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1twh s ALA 30 CO 0.29 -0.33 0.39 0.54 0.00 0.00 0.00 175.76 176.65 1twh s VAL 31 N -2.37 0.07 -0.09 0.00 0.11 -0.82 -2.00 120.40 115.29 1twh s VAL 31 Ca -0.07 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1twh s VAL 31 Cb -0.02 -1.09 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1twh s VAL 31 CO -0.03 -0.31 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.62 1twh s VAL 32 N -3.31 1.22 -0.01 2.04 1.01 0.13 -1.00 120.40 120.48 1twh s VAL 32 Ca -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1twh s VAL 32 Cb 0.01 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1twh s VAL 32 CO -0.08 0.39 -0.10 -0.63 0.00 0.00 0.00 175.10 174.67 1twh s ILE 33 N 1.06 3.37 -0.15 2.22 1.01 0.18 -2.42 121.20 126.46 1twh s ILE 33 Ca -0.06 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1twh s ILE 33 Cb -0.15 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.92 1twh s ILE 33 CO -0.01 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.28 1twh s THR 34 N -0.91 2.13 -0.35 2.92 2.01 -0.68 -0.76 115.64 120.01 1twh s THR 34 Ca 0.15 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 1twh s THR 34 Cb -0.11 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1twh s THR 34 CO 0.05 0.54 0.63 -0.36 -0.69 0.00 0.00 174.62 174.79 1twh s PHE 35 N 0.96 3.16 0.18 4.92 0.40 0.12 -2.74 117.98 124.98 1twh s PHE 35 Ca -0.03 0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.63 1twh s PHE 35 Cb -0.15 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.21 1twh s PHE 35 CO -0.05 -0.61 0.42 -1.21 0.70 0.00 0.00 175.22 174.47 1twh s GLU 36 N 2.69 3.61 -1.29 0.44 2.02 -0.74 -2.18 118.70 123.25 1twh s GLU 36 Ca 0.24 -0.11 -0.19 0.00 0.02 0.00 0.00 54.97 54.93 1twh s GLU 36 Cb -0.15 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.31 1twh s GLU 36 CO 0.14 0.40 0.36 1.63 0.02 0.00 0.00 175.26 177.82 1twh n LYS 37 N -0.26 -0.54 -4.11 1.61 4.76 -0.87 -4.86 118.16 113.89 1twh n LYS 37 Ca -0.03 0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 1twh n LYS 37 Cb 0.53 -2.76 -0.10 0.00 -1.84 0.00 0.00 35.03 30.86 1twh n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1twh s GLU 38 N -7.30 0.68 0.00 1.97 0.41 -1.20 -4.68 118.70 108.58 1twh s GLU 38 Ca 0.27 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 1twh s GLU 38 Cb -0.15 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.36 1twh s GLU 38 CO 0.94 -0.12 0.00 -0.40 -0.49 0.00 0.00 175.26 175.19 1twh n ASP 39 N 0.07 0.00 -0.01 -0.19 5.68 -1.26 -3.24 116.55 117.60 1twh n ASP 39 Ca -0.13 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.19 1twh n ASP 39 Cb 0.61 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.98 1twh n ASP 39 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1twh h HIS 40 N 0.00 0.53 -0.93 2.11 3.86 -1.96 -0.52 115.15 118.24 1twh h HIS 40 Ca 0.00 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 1twh h HIS 40 Cb 0.00 -0.18 -0.16 0.00 1.06 0.00 0.00 27.41 28.13 1twh h HIS 40 CO 0.00 0.38 -0.32 1.15 0.86 0.00 0.00 177.93 180.00 1twh h THR 41 N 0.56 0.04 0.11 2.45 2.02 -2.00 -1.64 112.91 114.45 1twh h THR 41 Ca 0.15 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.00 1twh h THR 41 Cb 0.02 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1twh h THR 41 CO -0.02 0.00 -1.72 0.25 0.37 0.00 0.00 175.52 174.40 1twh h LEU 42 N -0.02 0.35 -0.04 2.58 5.85 -1.90 -3.30 115.31 118.82 1twh h LEU 42 Ca 0.38 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 1twh h LEU 42 Cb 0.63 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1twh h LEU 42 CO -0.95 1.52 -0.29 1.23 -0.34 0.00 0.00 178.44 179.61 1twh h GLY 43 N 1.75 0.30 1.39 3.75 0.00 -0.23 0.17 103.07 110.21 1twh h GLY 43 Ca -0.31 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1twh h GLY 43 CO 0.13 0.40 0.26 -0.57 0.00 0.00 0.00 176.54 176.76 1twh h ASN 44 N -0.27 0.00 0.00 0.19 -1.24 -1.53 -2.86 115.58 109.87 1twh h ASN 44 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1twh h ASN 44 Cb 0.96 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 1twh h ASN 44 CO 0.06 0.00 -0.08 0.25 -1.29 0.00 0.00 177.43 176.37 1twh h LEU 45 N 0.00 0.00 0.56 0.34 5.85 -1.10 0.44 115.31 121.40 1twh h LEU 45 Ca 0.07 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1twh h LEU 45 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1twh h LEU 45 CO -0.00 0.86 -0.36 0.40 -0.34 0.00 0.00 178.44 179.00 1twh h ILE 46 N -1.00 0.27 -0.79 4.05 1.08 -1.24 0.10 117.51 119.99 1twh h ILE 46 Ca -0.02 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.63 1twh h ILE 46 Cb 0.68 0.27 -0.14 0.00 -3.07 0.00 0.00 36.82 34.56 1twh h ILE 46 CO -0.01 0.00 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.30 1twh h ARG 47 N -0.87 0.06 0.00 2.37 1.12 -1.61 -1.24 114.38 114.20 1twh h ARG 47 Ca -0.07 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.76 1twh h ARG 47 Cb 0.72 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1twh h ARG 47 CO 0.06 0.04 -0.21 0.00 -3.11 0.00 0.00 179.97 176.75 1twh h ALA 48 N 1.76 0.91 -0.10 2.80 0.00 0.15 -2.90 119.26 121.88 1twh h ALA 48 Ca 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1twh h ALA 48 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1twh h ALA 48 CO -0.73 0.26 -0.01 0.93 0.00 0.00 0.00 179.25 179.70 1twh h GLU 49 N 0.00 0.19 0.00 0.00 4.39 -0.89 -2.99 114.58 115.28 1twh h GLU 49 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1twh h GLU 49 Cb 0.97 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1twh h GLU 49 CO 0.03 0.46 0.83 -0.07 -1.16 0.00 0.00 179.01 179.09 1twh h LEU 50 N -0.10 0.00 -3.16 1.33 3.38 -1.17 -1.26 115.31 114.33 1twh h LEU 50 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1twh h LEU 50 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1twh h LEU 50 CO 0.01 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.43 1twh n LEU 51 N -2.56 4.37 -0.05 1.67 7.94 -1.13 -3.82 117.00 123.41 1twh n LEU 51 Ca -0.00 -2.52 -0.12 0.00 -1.11 0.00 0.00 56.01 52.25 1twh n LEU 51 Cb 0.84 -0.52 -0.14 0.00 0.53 0.00 0.00 43.42 44.12 1twh n LEU 51 CO 0.03 0.76 -0.84 0.59 -1.11 0.00 0.00 177.39 176.82 1twh n ASN 52 N 0.66 0.88 -4.61 1.96 3.02 -0.48 -4.92 115.26 111.77 1twh n ASN 52 Ca 0.23 0.21 -0.43 0.00 -0.03 0.00 0.00 54.58 54.55 1twh n ASN 52 Cb 0.84 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 1twh n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1twh n ASP 53 N -3.03 3.41 0.22 6.41 -0.08 -1.25 -4.97 116.55 117.26 1twh n ASP 53 Ca -0.27 0.40 0.15 0.00 -1.51 0.00 0.00 54.79 53.56 1twh n ASP 53 Cb 1.08 -1.53 0.60 0.00 2.34 0.00 0.00 41.12 43.61 1twh n ASP 53 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1twh h ARG 54 N 13.74 0.00 -0.04 -0.67 3.08 -1.91 -1.67 114.38 126.91 1twh h ARG 54 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1twh h ARG 54 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1twh h ARG 54 CO 0.96 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.49 1twh n LYS 55 N -2.75 1.58 -2.89 0.04 5.02 -1.26 -4.73 118.16 113.17 1twh n LYS 55 Ca 0.01 -0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 55.03 1twh n LYS 55 Cb 0.28 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1twh n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1twh s VAL 56 N -1.96 4.80 -0.09 -0.18 1.01 -0.63 -0.82 120.40 122.53 1twh s VAL 56 Ca 0.38 1.45 -0.09 0.00 0.00 0.00 0.00 61.98 63.71 1twh s VAL 56 Cb 0.20 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 32.16 1twh s VAL 56 CO 0.32 -0.16 0.51 -0.07 0.00 0.00 0.00 175.10 175.71 1twh h LEU 57 N 9.33 0.51 -7.23 3.92 3.38 -1.42 -3.48 115.31 120.32 1twh h LEU 57 Ca -0.23 -0.95 -0.10 0.00 0.09 0.00 0.00 57.88 56.69 1twh h LEU 57 Cb 1.09 -0.17 -0.25 0.00 0.09 0.00 0.00 40.66 41.43 1twh h LEU 57 CO 0.89 1.82 -0.22 0.12 0.09 0.00 0.00 178.44 181.14 1twh s PHE 58 N -2.57 -0.58 -0.09 1.13 5.36 -0.72 -4.93 117.98 115.59 1twh s PHE 58 Ca -0.19 1.30 -0.09 0.00 -0.96 0.00 0.00 56.93 56.99 1twh s PHE 58 Cb 0.06 0.24 0.02 0.00 -0.34 0.00 0.00 43.02 43.00 1twh s PHE 58 CO 0.81 -0.30 0.26 0.00 -1.46 0.00 0.00 175.22 174.53 1twh s ALA 59 N 0.80 -0.65 -0.08 11.12 0.00 -1.26 -0.31 121.76 131.39 1twh s ALA 59 Ca -0.05 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 1twh s ALA 59 Cb -0.05 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.72 1twh s ALA 59 CO -0.06 -0.13 0.58 0.00 0.00 0.00 0.00 175.76 176.15 1twh s ALA 60 N 0.04 -1.49 0.15 0.00 0.00 -0.79 -4.99 121.76 114.68 1twh s ALA 60 Ca -0.01 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1twh s ALA 60 Cb -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1twh s ALA 60 CO 0.01 -0.33 0.07 1.52 0.00 0.00 0.00 175.76 177.03 1twh s TYR 61 N -0.93 0.94 -0.20 0.00 -0.85 -1.26 -1.10 117.35 113.95 1twh s TYR 61 Ca -0.09 -1.25 -0.28 0.00 -0.52 0.00 0.00 57.07 54.92 1twh s TYR 61 Cb -0.02 -0.51 0.11 0.00 0.38 0.00 0.00 41.96 41.92 1twh s TYR 61 CO 0.07 -0.53 0.92 -1.59 -1.52 0.00 0.00 175.55 172.90 1twh s LYS 62 N -4.06 0.67 -0.29 -3.49 -2.85 -0.79 -4.96 119.74 103.97 1twh s LYS 62 Ca 0.27 0.43 -0.09 0.00 -1.00 0.00 0.00 55.97 55.58 1twh s LYS 62 Cb 0.07 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1twh s LYS 62 CO 0.04 -0.15 0.12 0.54 0.10 0.00 0.00 175.35 176.00 1twh s VAL 63 N -0.47 4.49 0.09 1.79 0.11 -1.26 -2.33 120.40 122.82 1twh s VAL 63 Ca -0.01 -0.35 0.24 0.00 -2.93 0.00 0.00 61.98 58.93 1twh s VAL 63 Cb -0.03 -3.23 0.25 0.00 -1.53 0.00 0.00 36.38 31.84 1twh s VAL 63 CO 0.00 0.15 1.81 -0.33 -3.33 0.00 0.00 175.10 173.40 1twh h GLU 64 N 8.31 0.00 -2.43 1.54 5.08 -1.93 -3.43 114.58 121.73 1twh h GLU 64 Ca -0.34 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1twh h GLU 64 Cb 1.15 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.19 1twh h GLU 64 CO 0.60 0.21 -0.04 -1.58 -1.00 0.00 0.00 179.01 177.20 1twh s HIS 65 N -3.59 -0.53 -1.88 4.33 5.04 -1.26 -5.00 115.29 112.40 1twh s HIS 65 Ca 0.01 1.12 0.25 0.00 -1.54 0.00 0.00 55.06 54.91 1twh s HIS 65 Cb 0.10 0.24 1.47 0.00 0.04 0.00 0.00 32.58 34.43 1twh s HIS 65 CO 0.63 -0.40 1.88 -2.30 -2.34 0.00 0.00 174.74 172.21 1twh n PRO 66 N 1.94 0.71 0.05 2.88 -0.01 -1.26 -1.39 135.00 137.92 1twh n PRO 66 Ca -0.17 0.01 0.12 0.00 -0.01 0.00 0.00 63.50 63.45 1twh n PRO 66 Cb 0.56 -1.50 0.18 0.00 -0.01 0.00 0.00 33.50 32.73 1twh n PRO 66 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 175.50 176.68 1twh n PHE 67 N -1.06 0.47 -4.48 6.00 0.99 -1.26 -4.84 117.46 113.28 1twh n PHE 67 Ca 0.18 0.14 -0.26 0.00 -0.00 0.00 0.00 57.45 57.50 1twh n PHE 67 Cb 0.11 -0.60 -0.13 0.00 -1.00 0.00 0.00 39.48 37.86 1twh n PHE 67 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1twh s PHE 68 N -3.15 1.98 -1.04 1.38 0.40 -0.49 -5.04 117.98 112.03 1twh s PHE 68 Ca 0.07 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 1twh s PHE 68 Cb 0.14 -1.12 0.14 0.00 0.51 0.00 0.00 43.02 42.69 1twh s PHE 68 CO 0.72 0.20 1.25 0.00 0.70 0.00 0.00 175.22 178.09 1twh s ALA 69 N -1.00 3.60 0.04 5.36 0.00 -1.26 -4.78 121.76 123.72 1twh s ALA 69 Ca 0.09 -2.99 -0.15 0.00 0.00 0.00 0.00 51.96 48.91 1twh s ALA 69 Cb -0.10 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 18.96 1twh s ALA 69 CO 0.04 -2.91 0.35 -0.98 0.00 0.00 0.00 175.76 172.25 1twh s ARG 70 N 2.31 0.84 0.27 0.00 1.70 -1.20 -2.05 118.95 120.83 1twh s ARG 70 Ca 0.37 -0.44 0.01 0.00 -0.47 0.00 0.00 55.73 55.20 1twh s ARG 70 Cb -0.04 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 1twh s ARG 70 CO -0.06 -0.28 0.27 -0.59 -1.08 0.00 0.00 175.30 173.56 1twh s PHE 71 N -2.46 1.29 -0.02 5.89 -0.12 -0.93 -4.62 117.98 117.01 1twh s PHE 71 Ca -0.05 -1.41 0.01 0.00 -0.05 0.00 0.00 56.93 55.42 1twh s PHE 71 Cb -0.01 -0.48 0.02 0.00 -0.63 0.00 0.00 43.02 41.92 1twh s PHE 71 CO -0.03 -0.83 -0.01 0.15 -0.05 0.00 0.00 175.22 174.45 1twh s LYS 72 N -3.71 0.32 0.01 1.99 1.02 -0.98 0.14 119.74 118.52 1twh s LYS 72 Ca 0.37 0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.45 1twh s LYS 72 Cb 0.03 -0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 36.89 1twh s LYS 72 CO 0.19 -0.07 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.13 1twh s LEU 73 N 0.70 2.09 -0.09 3.17 0.20 0.06 -1.89 118.68 122.92 1twh s LEU 73 Ca -0.07 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.29 1twh s LEU 73 Cb -0.10 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.46 1twh s LEU 73 CO -0.01 0.26 -0.17 -0.60 -0.29 0.00 0.00 176.35 175.54 1twh s ARG 74 N -0.82 2.34 -0.05 1.98 3.52 -0.26 0.50 118.95 126.16 1twh s ARG 74 Ca 0.10 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1twh s ARG 74 Cb -0.09 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.41 1twh s ARG 74 CO 0.00 0.04 -0.20 0.42 -0.81 0.00 0.00 175.30 174.75 1twh s ILE 75 N 0.69 1.67 -0.04 4.11 -1.09 -0.17 -1.88 121.20 124.50 1twh s ILE 75 Ca -0.13 -0.85 0.06 0.00 -2.23 0.00 0.00 60.65 57.50 1twh s ILE 75 Cb -0.16 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.27 1twh s ILE 75 CO 0.03 0.47 -0.24 -1.58 -1.23 0.00 0.00 174.94 172.40 1twh s GLN 76 N -0.03 2.35 0.10 2.79 0.74 0.58 -1.95 119.66 124.23 1twh s GLN 76 Ca -0.04 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.48 1twh s GLN 76 Cb -0.12 -2.15 -0.04 0.00 1.10 0.00 0.00 33.01 31.80 1twh s GLN 76 CO 0.03 0.50 0.03 0.95 -0.55 0.00 0.00 175.29 176.25 1twh s THR 77 N -0.45 0.15 0.66 -0.34 -4.23 -0.82 -1.14 115.64 109.48 1twh s THR 77 Ca 0.05 -1.84 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1twh s THR 77 Cb -0.11 -1.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 1twh s THR 77 CO 0.01 -0.70 0.53 0.41 -0.54 0.00 0.00 174.62 174.33 1twh n THR 78 N -0.01 2.01 -1.95 3.99 -1.04 -0.00 -4.66 114.28 112.62 1twh n THR 78 Ca -0.09 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 1twh n THR 78 Cb 0.62 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 68.39 1twh n THR 78 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1twh s GLU 79 N -2.50 4.18 0.00 -2.82 2.12 -1.26 -1.50 118.70 116.91 1twh s GLU 79 Ca 0.67 2.27 0.00 0.00 0.36 0.00 0.00 54.97 58.27 1twh s GLU 79 Cb -0.38 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.00 1twh s GLU 79 CO 0.56 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 1twh n GLY 80 N 4.20 1.07 2.74 -1.50 0.00 -1.26 -5.05 105.19 105.39 1twh n GLY 80 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1twh n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1twh s TYR 81 N -2.00 1.10 0.27 1.61 6.04 -0.57 -5.07 117.35 118.73 1twh s TYR 81 Ca 0.00 -0.92 -0.29 0.00 0.04 0.00 0.00 57.07 55.90 1twh s TYR 81 Cb 0.00 -1.06 -0.09 0.00 -1.04 0.00 0.00 41.96 39.76 1twh s TYR 81 CO 0.00 -0.63 1.14 0.34 -1.54 0.00 0.00 175.55 174.87 1twh s ASP 82 N 1.83 7.17 0.12 4.32 -1.08 -1.26 -4.65 116.67 123.12 1twh s ASP 82 Ca -0.01 2.32 -0.22 0.00 -0.52 0.00 0.00 52.55 54.12 1twh s ASP 82 Cb -0.17 -2.63 -0.05 0.00 -1.46 0.00 0.00 42.92 38.62 1twh s ASP 82 CO -0.08 -0.24 1.69 1.55 0.52 0.00 0.00 175.17 178.61 1twh h PRO 83 N 4.04 -0.12 0.00 4.34 0.13 -1.93 -2.65 132.00 135.81 1twh h PRO 83 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1twh h PRO 83 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1twh h PRO 83 CO 0.68 -0.08 0.15 0.87 -0.23 0.00 0.00 178.00 179.39 1twh h LYS 84 N -0.13 0.00 0.00 0.86 1.57 -1.98 0.60 116.57 117.50 1twh h LYS 84 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1twh h LYS 84 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1twh h LYS 84 CO -0.18 0.00 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.11 1twh h ASP 85 N 0.00 0.00 1.46 0.86 3.32 -1.84 -0.65 116.42 119.56 1twh h ASP 85 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1twh h ASP 85 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1twh h ASP 85 CO 0.00 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 177.41 1twh h ALA 86 N 2.03 0.93 0.01 3.45 0.00 0.31 0.11 119.26 126.09 1twh h ALA 86 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1twh h ALA 86 Cb 0.99 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1twh h ALA 86 CO 0.00 0.00 -1.93 -0.11 0.00 0.00 0.00 179.25 177.21 1twh n LEU 87 N -2.38 0.90 -0.14 0.00 7.94 -1.04 -0.62 117.00 121.66 1twh n LEU 87 Ca 0.05 0.28 -0.10 0.00 -1.11 0.00 0.00 56.01 55.13 1twh n LEU 87 Cb 0.45 0.09 -0.01 0.00 0.53 0.00 0.00 43.42 44.48 1twh n LEU 87 CO 0.32 0.48 0.86 0.11 -1.11 0.00 0.00 177.39 178.05 1twh h LYS 88 N 0.01 0.67 0.00 1.96 1.57 -0.98 1.03 116.57 120.82 1twh h LYS 88 Ca -0.37 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1twh h LYS 88 Cb 2.07 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.29 1twh h LYS 88 CO 0.06 0.69 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.66 1twh h ASN 89 N 0.53 0.00 0.01 0.86 2.35 -0.42 -1.41 115.58 117.50 1twh h ASN 89 Ca 0.13 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.69 1twh h ASN 89 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1twh h ASN 89 CO 0.00 0.07 -1.02 0.00 -1.65 0.00 0.00 177.43 174.83 1twh h ALA 90 N 1.93 0.20 -0.71 -0.83 0.00 -0.65 -2.33 119.26 116.88 1twh h ALA 90 Ca -0.00 -1.05 0.13 0.00 0.00 0.00 0.00 54.91 53.99 1twh h ALA 90 Cb 0.18 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.39 1twh h ALA 90 CO 0.01 0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.56 1twh n ASN 92 N -5.47 -0.63 0.30 0.00 3.02 -0.60 0.14 115.26 112.02 1twh n ASN 92 Ca 0.08 1.51 0.19 0.00 -0.03 0.00 0.00 54.58 56.33 1twh n ASN 92 Cb 0.37 -0.31 1.03 0.00 -0.61 0.00 0.00 39.78 40.26 1twh n ASN 92 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1twh h SER 93 N 0.00 0.00 0.14 6.41 0.02 -0.69 -1.92 113.55 117.51 1twh h SER 93 Ca 0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1twh h SER 93 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1twh h SER 93 CO -0.85 0.00 -0.07 0.40 -1.14 0.00 0.00 176.83 175.17 1twh h ILE 94 N 0.00 0.63 -1.03 3.27 1.08 0.14 -1.95 117.51 119.65 1twh h ILE 94 Ca 0.02 -1.18 0.26 0.00 -0.39 0.00 0.00 64.86 63.57 1twh h ILE 94 Cb 0.17 1.12 -0.09 0.00 -3.07 0.00 0.00 36.82 34.95 1twh h ILE 94 CO -0.00 0.18 0.67 0.40 -0.69 0.00 0.00 178.15 178.71 1twh h ILE 95 N -0.96 0.54 -0.05 -0.67 2.04 -0.30 0.57 117.51 118.68 1twh h ILE 95 Ca -0.02 -0.13 -0.24 0.00 1.00 0.00 0.00 64.86 65.47 1twh h ILE 95 Cb 0.45 0.13 0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1twh h ILE 95 CO 0.03 0.07 -0.91 0.78 0.00 0.00 0.00 178.15 178.12 1twh h ASN 96 N 0.38 0.88 1.38 1.72 2.35 -1.52 0.75 115.58 121.53 1twh h ASN 96 Ca 0.58 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1twh h ASN 96 Cb 1.49 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1twh h ASN 96 CO -0.27 1.47 -0.10 0.29 -1.65 0.00 0.00 177.43 177.17 1twh n LYS 97 N -3.93 0.27 -0.08 0.81 5.02 0.19 -2.17 118.16 118.27 1twh n LYS 97 Ca -0.10 0.19 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 1twh n LYS 97 Cb 0.82 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 1twh n LYS 97 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1twh n LEU 98 N -2.24 2.13 0.00 -0.35 4.77 -0.81 -2.70 117.00 117.80 1twh n LEU 98 Ca 0.05 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1twh n LEU 98 Cb 0.43 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1twh n LEU 98 CO 0.31 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1twh n GLY 99 N 1.60 0.00 0.25 -0.72 0.00 0.25 -0.67 105.19 105.90 1twh n GLY 99 Ca -0.35 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1twh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh h ALA 100 N 0.00 -0.55 -0.63 4.61 0.00 -1.33 -2.64 119.26 118.71 1twh h ALA 100 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1twh h ALA 100 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1twh h ALA 100 CO 0.00 -0.59 0.44 1.25 0.00 0.00 0.00 179.25 180.34 1twh h LEU 101 N -0.98 0.21 -0.97 0.00 7.12 -0.68 0.92 115.31 120.93 1twh h LEU 101 Ca -0.06 0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.88 1twh h LEU 101 Cb 0.55 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1twh h LEU 101 CO 0.09 0.11 -0.39 0.50 -0.13 0.00 0.00 178.44 178.62 1twh h LYS 102 N 0.22 0.00 0.00 1.25 3.64 -0.97 -0.45 116.57 120.26 1twh h LYS 102 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1twh h LYS 102 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1twh h LYS 102 CO -0.06 0.39 0.00 2.41 -2.27 0.00 0.00 179.45 179.92 1twh n THR 103 N -3.59 0.00 0.18 1.00 -1.04 -0.34 0.29 114.28 110.78 1twh n THR 103 Ca -0.00 0.65 0.03 0.00 -2.04 0.00 0.00 64.05 62.68 1twh n THR 103 Cb 0.50 -1.65 0.14 0.00 -1.82 0.00 0.00 70.33 67.50 1twh n THR 103 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1twh h ASN 104 N 0.00 0.00 0.00 8.00 4.21 -0.87 0.15 115.58 127.06 1twh h ASN 104 Ca 0.00 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 1twh h ASN 104 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1twh h ASN 104 CO 0.00 0.00 -1.03 0.15 -1.29 0.00 0.00 177.43 175.26 1twh h PHE 105 N 0.00 0.00 -0.20 1.19 3.57 -0.98 -3.00 116.94 117.52 1twh h PHE 105 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1twh h PHE 105 Cb 1.23 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1twh h PHE 105 CO 0.00 1.15 0.37 1.49 -2.23 0.00 0.00 178.31 179.09 1twh h GLU 106 N -1.00 0.00 0.01 1.11 4.81 0.27 0.20 114.58 119.98 1twh h GLU 106 Ca -0.26 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1twh h GLU 106 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1twh h GLU 106 CO -0.16 0.00 -0.00 1.15 -0.73 0.00 0.00 179.01 179.27 1twh h THR 107 N 0.00 1.44 0.00 0.32 2.02 -1.51 -3.28 112.91 111.89 1twh h THR 107 Ca 0.09 -2.01 0.00 0.00 0.77 0.00 0.00 66.41 65.27 1twh h THR 107 Cb 0.83 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1twh h THR 107 CO -0.00 0.47 0.00 -0.62 0.37 0.00 0.00 175.52 175.74 1twh n GLU 108 N -4.67 0.11 0.04 6.66 -0.58 0.69 -0.96 120.64 121.93 1twh n GLU 108 Ca -0.08 0.51 0.06 0.00 -0.42 0.00 0.00 57.16 57.23 1twh n GLU 108 Cb 0.38 -1.79 -0.08 0.00 -0.57 0.00 0.00 31.44 29.38 1twh n GLU 108 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1twh n TRP 109 N -2.01 0.70 -0.05 -0.32 -0.00 -1.04 -3.49 117.44 111.23 1twh n TRP 109 Ca 0.00 0.22 -0.17 0.00 -0.00 0.00 0.00 57.50 57.55 1twh n TRP 109 Cb 0.09 -0.91 -0.14 0.00 -0.00 0.00 0.00 31.31 30.35 1twh n TRP 109 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1twh n ASN 110 N -2.67 1.68 -0.55 5.87 3.02 -0.13 -3.65 115.26 118.83 1twh n ASN 110 Ca -0.07 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1twh n ASN 110 Cb 0.70 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1twh n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1twh n LEU 111 N -3.28 0.00 -4.04 3.41 4.77 -0.99 -4.51 117.00 112.36 1twh n LEU 111 Ca -0.34 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.35 1twh n LEU 111 Cb 1.04 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.97 1twh n LEU 111 CO 0.39 0.00 -0.49 -1.58 -1.33 0.00 0.00 177.39 174.37 1twh s GLN 112 N -0.48 2.26 0.10 3.23 2.00 -1.24 -5.13 119.66 120.40 1twh s GLN 112 Ca 0.00 -0.56 0.05 0.00 -2.00 0.00 0.00 55.36 52.85 1twh s GLN 112 Cb 0.00 -1.98 -0.04 0.00 0.80 0.00 0.00 33.01 31.79 1twh s GLN 112 CO 0.00 -0.13 0.01 0.95 -0.50 0.00 0.00 175.29 175.61 1twh s THR 113 N 1.19 4.01 0.00 -0.34 -4.23 -1.26 -5.05 115.64 109.96 1twh s THR 113 Ca -0.02 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1twh s THR 113 Cb -0.14 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1twh s THR 113 CO -0.05 0.08 0.00 -0.11 -0.54 0.00 0.00 174.62 174.00