#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3y n ASN 2 N 0.00 1.70 -4.75 6.12 3.02 -1.26 -5.06 115.26 115.03 3m3y n ASN 2 Ca 0.00 -1.47 -0.41 0.00 -0.03 0.00 0.00 54.58 52.67 3m3y n ASN 2 Cb 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 3m3y n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m3y s ALA 3 N -0.58 3.56 0.50 5.41 0.00 -1.26 -5.01 121.76 124.38 3m3y s ALA 3 Ca 0.06 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3m3y s ALA 3 Cb 0.04 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3m3y s ALA 3 CO 0.05 -0.67 0.89 -1.25 0.00 0.00 0.00 175.76 174.78 3m3y s PRO 4 N -0.86 3.74 0.87 0.00 0.04 -1.26 -5.01 135.00 132.52 3m3y s PRO 4 Ca 0.55 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 3m3y s PRO 4 Cb -0.40 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 31.99 3m3y s PRO 4 CO 0.46 -0.25 1.04 -0.25 0.04 0.00 0.00 177.00 178.04 3m3y n ASP 5 N -1.87 0.21 0.13 6.66 8.00 -1.26 -4.92 116.55 123.49 3m3y n ASP 5 Ca 0.04 0.48 -0.01 0.00 0.71 0.00 0.00 54.79 56.01 3m3y n ASP 5 Cb 0.54 -1.44 0.11 0.00 -0.02 0.00 0.00 41.12 40.31 3m3y n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3m3y h ARG 6 N -1.38 0.00 0.00 -1.24 2.47 -2.05 -3.27 114.38 108.91 3m3y h ARG 6 Ca -0.45 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.26 3m3y h ARG 6 Cb 1.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3m3y h ARG 6 CO 0.42 0.66 -0.09 0.27 0.56 0.00 0.00 179.97 181.79 3m3y h PHE 7 N 0.00 0.00 0.00 3.04 -5.15 -1.99 -0.84 116.94 112.00 3m3y h PHE 7 Ca -0.01 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 3m3y h PHE 7 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3m3y h PHE 7 CO 0.00 0.09 0.05 0.39 -2.00 0.00 0.00 178.31 176.84 3m3y n GLU 8 N -4.33 0.00 0.14 6.09 1.02 -1.23 -0.35 120.64 121.98 3m3y n GLU 8 Ca -0.03 0.23 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 3m3y n GLU 8 Cb 0.17 -1.55 0.19 0.00 -0.02 0.00 0.00 31.44 30.23 3m3y n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3m3y h LEU 9 N 0.00 0.03 0.00 -4.62 3.38 -1.39 -3.42 115.31 109.29 3m3y h LEU 9 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m3y h LEU 9 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3m3y h LEU 9 CO 0.00 0.61 -0.27 2.22 0.09 0.00 0.00 178.44 181.09 3m3y n PHE 10 N -3.85 0.00 -3.22 1.13 1.16 0.53 -4.54 117.46 108.67 3m3y n PHE 10 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.24 3m3y n PHE 10 Cb 0.59 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.40 3m3y n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3m3y s LEU 11 N -0.88 4.09 0.14 5.98 1.02 -0.82 -4.96 118.68 123.24 3m3y s LEU 11 Ca 0.00 1.16 -0.13 0.00 0.02 0.00 0.00 54.13 55.17 3m3y s LEU 11 Cb 0.00 -3.95 -0.07 0.00 0.02 0.00 0.00 46.19 42.19 3m3y s LEU 11 CO 0.00 -0.17 0.52 -0.76 0.02 0.00 0.00 176.35 175.97 3m3y s LEU 12 N -2.96 4.34 0.00 1.79 1.02 -1.26 -4.72 118.68 116.88 3m3y s LEU 12 Ca 0.52 1.02 0.00 0.00 0.02 0.00 0.00 54.13 55.69 3m3y s LEU 12 Cb -0.10 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 42.87 3m3y s LEU 12 CO 0.19 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.28 3m3y n GLY 13 N 0.79 -0.48 3.64 -3.19 0.00 -1.26 -4.90 105.19 99.80 3m3y n GLY 13 Ca -0.06 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 3m3y n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m3y s GLU 14 N 0.00 3.95 -0.70 1.61 2.56 -1.26 -3.74 118.70 121.12 3m3y s GLU 14 Ca 0.00 1.82 -0.04 0.00 0.00 0.00 0.00 54.97 56.75 3m3y s GLU 14 Cb 0.00 -3.99 0.01 0.00 2.00 0.00 0.00 34.13 32.14 3m3y s GLU 14 CO 0.00 -1.10 0.07 0.41 -0.56 0.00 0.00 175.26 174.07 3m3y n GLY 15 N 4.40 -0.13 3.72 -1.50 0.00 -1.26 -4.91 105.19 105.51 3m3y n GLY 15 Ca 0.18 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3m3y n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m3y s GLU 16 N -5.31 4.52 0.37 1.61 2.02 -1.25 -5.09 118.70 115.57 3m3y s GLU 16 Ca 0.05 1.16 -0.04 0.00 0.02 0.00 0.00 54.97 56.16 3m3y s GLU 16 Cb -0.03 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 3m3y s GLU 16 CO 0.47 0.11 0.63 -1.12 0.02 0.00 0.00 175.26 175.36 3m3y s SER 17 N 0.54 6.36 -0.02 -0.19 0.01 -1.26 -4.75 113.70 114.37 3m3y s SER 17 Ca 0.43 0.71 -0.24 0.00 1.31 0.00 0.00 55.95 58.17 3m3y s SER 17 Cb -0.20 -2.15 -0.17 0.00 0.21 0.00 0.00 66.02 63.71 3m3y s SER 17 CO 0.24 -0.34 1.10 0.50 0.41 0.00 0.00 173.24 175.14 3m3y h LYS 18 N 0.98 -0.21 -6.35 12.44 3.11 -1.92 -3.41 116.57 121.20 3m3y h LYS 18 Ca -0.48 0.01 -0.63 0.00 -2.81 0.00 0.00 60.65 56.74 3m3y h LYS 18 Cb 1.20 0.05 -0.12 0.00 -1.00 0.00 0.00 32.23 32.36 3m3y h LYS 18 CO 0.63 0.20 -0.66 -0.51 -2.81 0.00 0.00 179.45 176.30 3m3y s LEU 19 N -9.22 3.40 -0.05 5.20 1.43 -1.26 -1.49 118.68 116.69 3m3y s LEU 19 Ca -0.14 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3m3y s LEU 19 Cb 0.01 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3m3y s LEU 19 CO 0.55 0.14 -0.12 -0.75 0.23 0.00 0.00 176.35 176.39 3m3y s LYS 20 N -2.60 1.51 -0.17 1.70 2.36 -0.77 -4.96 119.74 116.82 3m3y s LYS 20 Ca 0.26 -0.42 0.01 0.00 -2.55 0.00 0.00 55.97 53.27 3m3y s LYS 20 Cb -0.11 -1.30 0.01 0.00 -1.05 0.00 0.00 37.83 35.38 3m3y s LYS 20 CO 0.18 0.10 -0.17 0.42 1.55 0.00 0.00 175.35 177.43 3m3y s ILE 21 N 0.41 2.38 -0.00 5.43 1.01 -1.26 -0.39 121.20 128.78 3m3y s ILE 21 Ca -0.09 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3m3y s ILE 21 Cb -0.13 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3m3y s ILE 21 CO 0.02 0.52 -0.21 -1.81 0.00 0.00 0.00 174.94 173.47 3m3y s ASP 22 N 1.06 2.47 -0.27 3.58 1.01 -1.18 -4.97 116.67 118.37 3m3y s ASP 22 Ca -0.01 -0.42 -0.29 0.00 0.71 0.00 0.00 52.55 52.55 3m3y s ASP 22 Cb -0.14 -0.26 -0.01 0.00 1.01 0.00 0.00 42.92 43.52 3m3y s ASP 22 CO -0.06 0.23 1.48 -2.84 0.21 0.00 0.00 175.17 174.20 3m3y s PRO 23 N -0.67 3.80 0.17 8.23 0.02 -1.26 -0.89 135.00 144.41 3m3y s PRO 23 Ca 0.08 1.42 -0.31 0.00 0.02 0.00 0.00 61.00 62.20 3m3y s PRO 23 Cb -0.08 -3.98 -0.10 0.00 0.02 0.00 0.00 34.50 30.36 3m3y s PRO 23 CO -0.00 -1.27 1.55 0.34 -0.33 0.00 0.00 177.00 177.28 3m3y s ASP 24 N 3.70 6.60 0.04 2.53 -1.08 0.12 -4.91 116.67 123.67 3m3y s ASP 24 Ca 0.65 2.61 -0.01 0.00 -0.52 0.00 0.00 52.55 55.28 3m3y s ASP 24 Cb -0.20 -2.60 -0.26 0.00 -1.46 0.00 0.00 42.92 38.39 3m3y s ASP 24 CO 0.27 -0.81 0.99 0.71 0.52 0.00 0.00 175.17 176.85 3m3y h THR 25 N 3.97 1.32 -0.08 1.71 1.35 -1.92 -3.40 112.91 115.86 3m3y h THR 25 Ca -0.43 -2.96 0.02 0.00 -0.55 0.00 0.00 66.41 62.49 3m3y h THR 25 Cb 1.21 2.80 -0.04 0.00 -1.73 0.00 0.00 68.15 70.38 3m3y h THR 25 CO 0.90 0.84 -0.36 0.11 -0.25 0.00 0.00 175.52 176.75 3m3y h LYS 26 N 0.05 -0.39 -5.99 4.72 1.79 -1.96 -3.45 116.57 111.35 3m3y h LYS 26 Ca -0.18 0.03 -0.62 0.00 -2.18 0.00 0.00 60.65 57.70 3m3y h LYS 26 Cb 1.96 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 32.57 3m3y h LYS 26 CO 0.16 -0.26 -0.69 0.00 -1.08 0.00 0.00 179.45 177.58 3m3y s ALA 27 N -5.00 2.93 0.55 3.86 0.00 -1.26 -5.13 121.76 117.71 3m3y s ALA 27 Ca -0.10 -2.05 -0.07 0.00 0.00 0.00 0.00 51.96 49.74 3m3y s ALA 27 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3m3y s ALA 27 CO 0.41 0.11 0.87 -1.25 0.00 0.00 0.00 175.76 175.90 3m3y s PRO 28 N -3.60 3.32 -1.23 0.00 0.04 -1.26 -4.21 135.00 128.06 3m3y s PRO 28 Ca 0.32 0.23 -0.11 0.00 0.04 0.00 0.00 61.00 61.48 3m3y s PRO 28 Cb 0.01 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 3m3y s PRO 28 CO 0.16 -0.46 0.69 -1.71 0.04 0.00 0.00 177.00 175.72 3m3y n ASN 29 N -2.47 -3.32 -3.76 6.66 5.15 -1.26 -4.82 115.26 111.43 3m3y n ASN 29 Ca 0.03 -0.97 -0.13 0.00 -0.60 0.00 0.00 54.58 52.91 3m3y n ASN 29 Cb 0.56 -3.50 -0.10 0.00 -0.53 0.00 0.00 39.78 36.21 3m3y n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m3y s ALA 30 N -3.63 -0.79 0.01 5.20 0.00 -1.26 -2.69 121.76 118.61 3m3y s ALA 30 Ca 0.27 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 3m3y s ALA 30 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3m3y s ALA 30 CO 0.85 -0.20 -0.02 0.54 0.00 0.00 0.00 175.76 176.93 3m3y s VAL 31 N -0.49 0.08 -0.42 0.00 0.11 -0.31 -0.70 120.40 118.68 3m3y s VAL 31 Ca -0.06 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 3m3y s VAL 31 Cb -0.04 -0.21 0.12 0.00 -1.53 0.00 0.00 36.38 34.72 3m3y s VAL 31 CO 0.02 -0.38 0.17 0.54 -3.33 0.00 0.00 175.10 172.12 3m3y s VAL 32 N -1.12 1.92 -0.16 2.04 0.11 -0.07 -1.41 120.40 121.70 3m3y s VAL 32 Ca -0.12 -2.55 -0.24 0.00 -2.93 0.00 0.00 61.98 56.13 3m3y s VAL 32 Cb -0.08 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.38 3m3y s VAL 32 CO -0.01 -0.75 0.77 -0.63 -3.33 0.00 0.00 175.10 171.16 3m3y s ILE 33 N 0.50 4.93 -0.20 7.04 1.01 0.19 -3.11 121.20 131.56 3m3y s ILE 33 Ca 0.14 1.51 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 3m3y s ILE 33 Cb -0.22 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3m3y s ILE 33 CO -0.06 0.07 0.17 -0.89 0.00 0.00 0.00 174.94 174.22 3m3y s THR 34 N 1.95 5.38 -0.48 2.92 2.01 0.48 -0.91 115.64 127.00 3m3y s THR 34 Ca 0.36 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.56 3m3y s THR 34 Cb -0.17 -3.51 0.12 0.00 0.01 0.00 0.00 72.50 68.96 3m3y s THR 34 CO 0.13 0.42 0.32 -0.36 -0.69 0.00 0.00 174.62 174.43 3m3y s PHE 35 N 0.49 3.50 -0.01 4.92 0.40 -0.88 -1.85 117.98 124.55 3m3y s PHE 35 Ca 0.10 -2.19 -0.30 0.00 -0.60 0.00 0.00 56.93 53.94 3m3y s PHE 35 Cb -0.12 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 3m3y s PHE 35 CO -0.00 -0.97 1.05 -1.21 0.70 0.00 0.00 175.22 174.80 3m3y s GLU 36 N 1.07 4.49 -0.46 0.44 0.41 -0.56 -2.93 118.70 121.15 3m3y s GLU 36 Ca 0.08 1.52 -0.02 0.00 -0.41 0.00 0.00 54.97 56.14 3m3y s GLU 36 Cb -0.24 -3.46 -0.03 0.00 -1.78 0.00 0.00 34.13 28.63 3m3y s GLU 36 CO -0.03 -0.18 0.41 1.63 -0.49 0.00 0.00 175.26 176.60 3m3y n LYS 37 N 4.23 -0.98 -3.87 1.61 4.76 0.44 -4.82 118.16 119.53 3m3y n LYS 37 Ca 0.08 0.48 -0.08 0.00 -2.87 0.00 0.00 58.31 55.91 3m3y n LYS 37 Cb 0.49 -3.50 -0.01 0.00 -1.84 0.00 0.00 35.03 30.18 3m3y n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3m3y s GLU 38 N -3.56 1.96 0.00 1.97 0.41 -1.21 -4.90 118.70 113.38 3m3y s GLU 38 Ca 0.18 -1.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 3m3y s GLU 38 Cb -0.02 0.59 0.00 0.00 -1.78 0.00 0.00 34.13 32.92 3m3y s GLU 38 CO 0.34 -0.90 0.00 -0.40 -0.49 0.00 0.00 175.26 173.82 3m3y n ASP 39 N -0.91 0.00 -0.25 -0.19 5.68 -1.26 -2.44 116.55 117.18 3m3y n ASP 39 Ca -0.05 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.27 3m3y n ASP 39 Cb 0.60 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.74 3m3y n ASP 39 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3m3y h HIS 40 N 0.00 0.61 -1.05 2.11 3.86 -1.98 -1.69 115.15 117.01 3m3y h HIS 40 Ca 0.00 0.03 0.40 0.00 -1.16 0.00 0.00 60.37 59.65 3m3y h HIS 40 Cb 0.00 -0.16 -0.15 0.00 1.06 0.00 0.00 27.41 28.16 3m3y h HIS 40 CO 0.00 0.18 0.62 2.41 0.86 0.00 0.00 177.93 182.00 3m3y n THR 41 N -4.90 -0.33 -0.09 2.45 -1.04 -1.26 -1.63 114.28 107.48 3m3y n THR 41 Ca 0.12 1.78 -0.18 0.00 -2.04 0.00 0.00 64.05 63.73 3m3y n THR 41 Cb 0.33 -2.90 -0.06 0.00 -1.82 0.00 0.00 70.33 65.88 3m3y n THR 41 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3m3y n LEU 42 N -4.87 1.33 -0.17 -4.42 7.94 -1.04 -4.39 117.00 111.39 3m3y n LEU 42 Ca 0.36 0.23 0.05 0.00 -1.11 0.00 0.00 56.01 55.53 3m3y n LEU 42 Cb 1.28 -0.55 0.34 0.00 0.53 0.00 0.00 43.42 45.02 3m3y n LEU 42 CO 0.07 0.28 1.22 1.23 -1.11 0.00 0.00 177.39 179.08 3m3y h GLY 43 N -0.66 0.95 1.20 -3.96 0.00 -1.13 -0.09 103.07 99.38 3m3y h GLY 43 Ca -0.41 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 3m3y h GLY 43 CO -0.25 0.26 -0.18 -0.57 0.00 0.00 0.00 176.54 175.80 3m3y h ASN 44 N 0.79 0.94 -0.04 0.19 -1.24 -1.53 -2.45 115.58 112.23 3m3y h ASN 44 Ca 0.29 -0.33 -0.12 0.00 0.71 0.00 0.00 56.30 56.85 3m3y h ASN 44 Cb 0.16 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 3m3y h ASN 44 CO -0.09 1.09 -0.36 0.25 -1.29 0.00 0.00 177.43 177.03 3m3y h LEU 45 N 0.81 0.56 -0.03 0.34 5.85 -1.20 -0.79 115.31 120.85 3m3y h LEU 45 Ca 0.11 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3m3y h LEU 45 Cb 0.73 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3m3y h LEU 45 CO 0.06 0.88 -0.11 0.40 -0.34 0.00 0.00 178.44 179.33 3m3y h ILE 46 N 0.45 1.48 -0.03 4.05 5.03 -1.45 -2.95 117.51 124.09 3m3y h ILE 46 Ca 0.05 -1.56 0.04 0.00 -0.12 0.00 0.00 64.86 63.26 3m3y h ILE 46 Cb 0.84 2.43 -0.06 0.00 -3.03 0.00 0.00 36.82 37.01 3m3y h ILE 46 CO 0.07 0.42 -0.37 -0.09 -0.68 0.00 0.00 178.15 177.50 3m3y h ARG 47 N -0.45 -0.49 -0.90 2.37 2.43 -1.12 0.92 114.38 117.14 3m3y h ARG 47 Ca -0.01 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.44 3m3y h ARG 47 Cb 0.75 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 3m3y h ARG 47 CO 0.02 -0.33 0.62 0.00 -1.51 0.00 0.00 179.97 178.78 3m3y h ALA 48 N 0.14 2.58 0.08 2.80 0.00 -1.25 -2.38 119.26 121.23 3m3y h ALA 48 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3m3y h ALA 48 Cb 0.61 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3m3y h ALA 48 CO -0.32 -0.85 -0.59 0.93 0.00 0.00 0.00 179.25 178.42 3m3y h GLU 49 N 0.16 0.17 -0.09 0.00 4.39 -0.88 -3.23 114.58 115.10 3m3y h GLU 49 Ca 0.45 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.88 3m3y h GLU 49 Cb 1.50 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.25 3m3y h GLU 49 CO -0.08 1.14 0.43 -0.07 -1.16 0.00 0.00 179.01 179.27 3m3y h LEU 50 N -0.62 0.00 0.00 1.33 3.38 -0.38 -1.91 115.31 117.10 3m3y h LEU 50 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3m3y h LEU 50 Cb 1.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3m3y h LEU 50 CO 0.07 0.00 -0.38 -0.07 0.09 0.00 0.00 178.44 178.15 3m3y h LEU 51 N 0.00 0.00 -0.38 1.67 4.07 -1.52 -3.18 115.31 115.96 3m3y h LEU 51 Ca 0.04 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.83 3m3y h LEU 51 Cb 0.91 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 3m3y h LEU 51 CO -0.00 0.04 -0.81 0.78 -1.08 0.00 0.00 178.44 177.37 3m3y h ASN 52 N 0.00 0.05 -2.56 -0.43 2.35 -1.47 -3.43 115.58 110.08 3m3y h ASN 52 Ca -0.00 -0.04 -0.55 0.00 -0.55 0.00 0.00 56.30 55.15 3m3y h ASN 52 Cb 1.04 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3m3y h ASN 52 CO 0.00 0.84 1.15 -0.62 -1.65 0.00 0.00 177.43 177.15 3m3y s ASP 53 N -6.81 6.49 0.00 5.81 -1.08 -1.20 -4.90 116.67 114.98 3m3y s ASP 53 Ca -0.01 2.16 0.28 0.00 -0.52 0.00 0.00 52.55 54.45 3m3y s ASP 53 Cb 0.11 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 40.02 3m3y s ASP 53 CO 0.80 -1.08 1.72 0.54 0.52 0.00 0.00 175.17 177.67 3m3y n ARG 54 N 7.42 0.24 -0.68 4.34 1.74 -1.26 -2.84 116.66 125.62 3m3y n ARG 54 Ca 0.19 -0.09 0.06 0.00 -0.77 0.00 0.00 57.85 57.24 3m3y n ARG 54 Cb 0.43 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.68 3m3y n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3m3y n LYS 55 N -1.30 3.94 -3.78 5.56 5.02 -1.26 -4.84 118.16 121.49 3m3y n LYS 55 Ca 0.09 -2.41 -0.36 0.00 -2.02 0.00 0.00 58.31 53.60 3m3y n LYS 55 Cb 0.32 -2.06 -0.12 0.00 -0.02 0.00 0.00 35.03 33.15 3m3y n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m3y s VAL 56 N -2.31 4.61 -0.27 -0.18 1.01 -1.13 -2.23 120.40 119.91 3m3y s VAL 56 Ca 0.42 -0.07 0.23 0.00 0.00 0.00 0.00 61.98 62.55 3m3y s VAL 56 Cb 0.32 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3m3y s VAL 56 CO 0.13 0.34 1.00 0.18 0.00 0.00 0.00 175.10 176.75 3m3y n LEU 57 N 4.67 0.73 -3.64 3.92 4.77 0.82 -4.95 117.00 123.32 3m3y n LEU 57 Ca -0.16 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 3m3y n LEU 57 Cb 0.52 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 3m3y n LEU 57 CO 0.32 -0.14 0.62 0.12 -1.33 0.00 0.00 177.39 176.98 3m3y s PHE 58 N -3.36 -0.64 -0.17 -1.77 5.36 -0.95 -4.94 117.98 111.50 3m3y s PHE 58 Ca -0.01 1.37 -0.09 0.00 -0.96 0.00 0.00 56.93 57.25 3m3y s PHE 58 Cb 0.11 0.40 0.06 0.00 -0.34 0.00 0.00 43.02 43.24 3m3y s PHE 58 CO 0.80 -0.32 0.41 0.00 -1.46 0.00 0.00 175.22 174.65 3m3y s ALA 59 N 1.00 -1.04 -0.17 11.12 0.00 -1.26 -0.51 121.76 130.90 3m3y s ALA 59 Ca -0.05 1.51 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 3m3y s ALA 59 Cb -0.04 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.19 3m3y s ALA 59 CO -0.12 -0.31 0.71 0.00 0.00 0.00 0.00 175.76 176.03 3m3y s ALA 60 N 1.52 -1.78 0.28 0.00 0.00 -0.86 -5.02 121.76 115.90 3m3y s ALA 60 Ca -0.09 1.69 0.08 0.00 0.00 0.00 0.00 51.96 53.64 3m3y s ALA 60 Cb -0.09 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 3m3y s ALA 60 CO -0.13 -0.35 -0.09 1.52 0.00 0.00 0.00 175.76 176.71 3m3y s TYR 61 N -0.37 2.01 -0.29 0.00 -0.85 -1.26 -1.06 117.35 115.54 3m3y s TYR 61 Ca -0.05 -0.61 -0.15 0.00 -0.52 0.00 0.00 57.07 55.74 3m3y s TYR 61 Cb -0.03 -1.09 0.11 0.00 0.38 0.00 0.00 41.96 41.34 3m3y s TYR 61 CO 0.05 0.38 0.80 -1.59 -1.52 0.00 0.00 175.55 173.67 3m3y s LYS 62 N -3.67 0.55 -0.75 -3.49 -2.85 -0.69 -4.95 119.74 103.89 3m3y s LYS 62 Ca 0.29 1.04 -0.20 0.00 -1.00 0.00 0.00 55.97 56.10 3m3y s LYS 62 Cb 0.02 0.25 0.10 0.00 -2.06 0.00 0.00 37.83 36.14 3m3y s LYS 62 CO 0.12 -0.13 0.96 0.08 0.10 0.00 0.00 175.35 176.47 3m3y s VAL 63 N 1.79 4.63 0.33 1.79 1.01 -1.26 -1.79 120.40 126.89 3m3y s VAL 63 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3m3y s VAL 63 Cb -0.06 -4.67 0.26 0.00 0.00 0.00 0.00 36.38 31.92 3m3y s VAL 63 CO -0.18 -1.39 1.99 -0.33 0.00 0.00 0.00 175.10 175.19 3m3y h GLU 64 N 9.16 0.95 -3.15 2.72 5.08 -1.93 -3.40 114.58 124.00 3m3y h GLU 64 Ca -0.12 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 3m3y h GLU 64 Cb 1.06 -0.21 -0.26 0.00 0.50 0.00 0.00 28.75 29.83 3m3y h GLU 64 CO 1.12 0.63 -0.44 -1.58 -1.00 0.00 0.00 179.01 177.74 3m3y s HIS 65 N -5.82 -0.26 -1.50 4.33 2.46 -1.26 -5.06 115.29 108.17 3m3y s HIS 65 Ca -0.11 0.64 0.27 0.00 0.47 0.00 0.00 55.06 56.34 3m3y s HIS 65 Cb 0.18 0.09 0.98 0.00 -0.13 0.00 0.00 32.58 33.69 3m3y s HIS 65 CO 0.78 -0.13 1.71 -0.35 -2.47 0.00 0.00 174.74 174.28 3m3y n PRO 66 N 2.99 0.54 0.24 2.88 -0.04 -1.26 -2.94 135.00 137.42 3m3y n PRO 66 Ca -0.13 -0.24 0.18 0.00 -0.04 0.00 0.00 63.50 63.26 3m3y n PRO 66 Cb 0.58 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.43 3m3y n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3m3y h PHE 67 N 0.59 0.00 -4.05 0.54 0.05 -1.97 -3.43 116.94 108.67 3m3y h PHE 67 Ca 0.00 0.00 -0.69 0.00 3.82 0.00 0.00 57.97 61.10 3m3y h PHE 67 Cb 0.44 0.00 -0.27 0.00 2.00 0.00 0.00 35.95 38.11 3m3y h PHE 67 CO 0.00 0.00 -0.82 -0.06 -0.18 0.00 0.00 178.31 177.25 3m3y s PHE 68 N -4.50 2.57 -1.01 -0.55 2.99 -1.15 -5.05 117.98 111.28 3m3y s PHE 68 Ca -0.05 -0.44 -0.18 0.00 0.00 0.00 0.00 56.93 56.27 3m3y s PHE 68 Cb 0.14 -1.62 0.12 0.00 0.00 0.00 0.00 43.02 41.66 3m3y s PHE 68 CO 0.49 -0.02 1.26 0.00 -0.00 0.00 0.00 175.22 176.95 3m3y s ALA 69 N -0.40 3.39 -0.28 5.36 0.00 -1.26 -4.82 121.76 123.74 3m3y s ALA 69 Ca 0.04 -2.82 -0.22 0.00 0.00 0.00 0.00 51.96 48.96 3m3y s ALA 69 Cb -0.12 -4.16 0.11 0.00 0.00 0.00 0.00 23.12 18.95 3m3y s ALA 69 CO 0.02 -3.05 0.93 -0.98 0.00 0.00 0.00 175.76 172.68 3m3y s ARG 70 N 2.86 0.56 0.37 0.00 1.70 -1.02 -0.42 118.95 123.01 3m3y s ARG 70 Ca 0.37 0.75 0.04 0.00 -0.47 0.00 0.00 55.73 56.42 3m3y s ARG 70 Cb -0.03 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3m3y s ARG 70 CO -0.07 -0.08 0.13 -0.59 -1.08 0.00 0.00 175.30 173.61 3m3y s PHE 71 N 0.61 1.77 -0.06 5.89 -0.12 -1.15 -4.31 117.98 120.61 3m3y s PHE 71 Ca -0.01 -1.27 0.02 0.00 -0.05 0.00 0.00 56.93 55.62 3m3y s PHE 71 Cb -0.05 -1.10 0.02 0.00 -0.63 0.00 0.00 43.02 41.26 3m3y s PHE 71 CO -0.08 -0.32 -0.10 0.15 -0.05 0.00 0.00 175.22 174.81 3m3y s LYS 72 N -3.75 1.50 -0.22 1.99 1.02 -0.74 -2.07 119.74 117.47 3m3y s LYS 72 Ca 0.28 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.86 3m3y s LYS 72 Cb 0.04 -1.27 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 3m3y s LYS 72 CO 0.16 0.00 0.07 -1.17 -0.92 0.00 0.00 175.35 173.49 3m3y s LEU 73 N 0.72 3.62 -0.13 3.17 2.96 -0.09 -1.71 118.68 127.22 3m3y s LEU 73 Ca -0.14 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3m3y s LEU 73 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3m3y s LEU 73 CO 0.03 0.06 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.48 3m3y s ARG 74 N 1.07 3.39 -0.03 1.98 3.52 -0.22 -0.63 118.95 128.03 3m3y s ARG 74 Ca 0.04 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 3m3y s ARG 74 Cb -0.14 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 3m3y s ARG 74 CO 0.03 0.40 -0.05 0.42 -0.81 0.00 0.00 175.30 175.29 3m3y s ILE 75 N -0.07 0.52 -0.00 4.11 1.01 -0.50 -2.03 121.20 124.23 3m3y s ILE 75 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3m3y s ILE 75 Cb -0.13 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 3m3y s ILE 75 CO 0.02 0.19 -0.13 -1.58 0.00 0.00 0.00 174.94 173.45 3m3y s GLN 76 N 0.42 1.01 0.17 2.79 0.74 0.34 -1.16 119.66 123.96 3m3y s GLN 76 Ca -0.05 -0.48 0.05 0.00 0.05 0.00 0.00 55.36 54.93 3m3y s GLN 76 Cb -0.09 -0.98 -0.05 0.00 1.10 0.00 0.00 33.01 33.00 3m3y s GLN 76 CO -0.00 0.27 -0.10 0.95 -0.55 0.00 0.00 175.29 175.85 3m3y s THR 77 N -0.36 1.30 0.37 -0.34 -4.23 -1.10 -0.13 115.64 111.16 3m3y s THR 77 Ca 0.04 -2.10 -0.28 0.00 -1.18 0.00 0.00 61.69 58.18 3m3y s THR 77 Cb -0.05 -1.93 -0.11 0.00 1.34 0.00 0.00 72.50 71.75 3m3y s THR 77 CO -0.00 -0.68 1.43 0.42 -0.54 0.00 0.00 174.62 175.24 3m3y s THR 78 N -3.25 2.27 0.19 3.99 -4.23 -0.95 -4.80 115.64 108.86 3m3y s THR 78 Ca 0.19 0.27 -0.33 0.00 -1.18 0.00 0.00 61.69 60.64 3m3y s THR 78 Cb 0.02 -3.17 -0.15 0.00 1.34 0.00 0.00 72.50 70.55 3m3y s THR 78 CO 0.03 0.06 1.34 1.21 -0.54 0.00 0.00 174.62 176.72 3m3y n GLU 79 N 0.54 1.66 0.00 3.99 2.13 -1.26 -2.07 120.64 125.63 3m3y n GLU 79 Ca 0.01 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3m3y n GLU 79 Cb 0.40 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.90 3m3y n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m3y n GLY 80 N 2.30 3.23 3.21 8.31 0.00 -1.26 -5.03 105.19 115.95 3m3y n GLY 80 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3m3y n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m3y s TYR 81 N -2.81 3.39 0.20 1.61 6.04 -0.88 -5.08 117.35 119.81 3m3y s TYR 81 Ca 0.00 -1.84 -0.31 0.00 0.04 0.00 0.00 57.07 54.96 3m3y s TYR 81 Cb 0.00 -2.77 -0.10 0.00 -1.04 0.00 0.00 41.96 38.05 3m3y s TYR 81 CO 0.00 -0.86 1.48 0.34 -1.54 0.00 0.00 175.55 174.97 3m3y s ASP 82 N 1.76 6.66 0.26 4.32 2.15 -1.26 -4.59 116.67 125.96 3m3y s ASP 82 Ca 0.02 2.60 -0.06 0.00 0.43 0.00 0.00 52.55 55.54 3m3y s ASP 82 Cb -0.22 -2.61 0.47 0.00 -0.30 0.00 0.00 42.92 40.26 3m3y s ASP 82 CO -0.00 -0.73 1.62 1.55 -0.17 0.00 0.00 175.17 177.43 3m3y h PRO 83 N 5.87 0.06 -0.63 4.34 0.13 -1.94 -2.68 132.00 137.17 3m3y h PRO 83 Ca -0.44 -0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.78 3m3y h PRO 83 Cb 1.21 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 3m3y h PRO 83 CO 0.84 0.04 0.23 0.87 -0.23 0.00 0.00 178.00 179.75 3m3y h LYS 84 N 0.07 0.39 -0.82 0.86 1.57 -1.98 0.10 116.57 116.76 3m3y h LYS 84 Ca 0.44 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.28 3m3y h LYS 84 Cb 0.78 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.93 3m3y h LYS 84 CO -0.74 0.26 0.47 -0.44 -0.57 0.00 0.00 179.45 178.43 3m3y h ASP 85 N 0.41 0.69 -0.89 0.86 3.32 -1.87 0.75 116.42 119.68 3m3y h ASP 85 Ca 0.32 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.50 3m3y h ASP 85 Cb 0.41 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 3m3y h ASP 85 CO -0.32 0.40 0.53 0.00 -1.72 0.00 0.00 179.24 178.13 3m3y h ALA 86 N 1.44 1.27 -0.01 3.45 0.00 -0.76 0.17 119.26 124.83 3m3y h ALA 86 Ca 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3m3y h ALA 86 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3m3y h ALA 86 CO -0.24 0.19 -0.02 1.25 0.00 0.00 0.00 179.25 180.44 3m3y h LEU 87 N 0.91 0.03 -0.39 0.00 5.85 -0.59 -2.22 115.31 118.89 3m3y h LEU 87 Ca 0.42 -0.65 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3m3y h LEU 87 Cb 0.33 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3m3y h LEU 87 CO -0.23 0.68 -0.54 0.11 -0.34 0.00 0.00 178.44 178.12 3m3y h LYS 88 N -0.62 -0.37 -0.38 1.25 1.57 0.13 0.68 116.57 118.83 3m3y h LYS 88 Ca -0.00 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3m3y h LYS 88 Cb 0.68 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 3m3y h LYS 88 CO 0.00 -0.25 -0.01 -0.91 -0.57 0.00 0.00 179.45 177.72 3m3y h ASN 89 N -0.38 -0.18 -0.91 0.86 -0.26 -0.82 -1.95 115.58 111.93 3m3y h ASN 89 Ca 0.07 0.09 0.19 0.00 -0.56 0.00 0.00 56.30 56.09 3m3y h ASN 89 Cb 0.57 0.17 -0.07 0.00 -1.06 0.00 0.00 38.32 37.92 3m3y h ASN 89 CO -0.57 -0.05 0.59 0.00 -1.06 0.00 0.00 177.43 176.34 3m3y h ALA 90 N 1.34 2.08 -0.03 -0.83 0.00 -0.45 -1.94 119.26 119.43 3m3y h ALA 90 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3m3y h ALA 90 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3m3y h ALA 90 CO -0.32 -0.37 -0.04 0.00 0.00 0.00 0.00 179.25 178.52 3m3y h ASN 92 N -0.43 0.62 -0.44 0.00 2.35 -1.16 -1.14 115.58 115.38 3m3y h ASN 92 Ca 0.00 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 3m3y h ASN 92 Cb 0.58 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.77 3m3y h ASN 92 CO 0.01 0.41 0.01 -1.28 -1.65 0.00 0.00 177.43 174.93 3m3y h SER 93 N 0.75 -0.16 -0.36 5.81 0.87 -1.44 0.23 113.55 119.26 3m3y h SER 93 Ca 0.29 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.98 3m3y h SER 93 Cb 0.12 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3m3y h SER 93 CO -0.15 -0.04 0.15 0.40 -0.53 0.00 0.00 176.83 176.66 3m3y h ILE 94 N 0.13 0.94 -0.68 2.23 2.04 -1.10 -2.41 117.51 118.65 3m3y h ILE 94 Ca 0.22 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 3m3y h ILE 94 Cb 0.32 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3m3y h ILE 94 CO -0.36 0.06 0.32 0.40 0.00 0.00 0.00 178.15 178.57 3m3y h ILE 95 N 0.32 1.23 -0.26 -0.67 2.04 0.21 -1.29 117.51 119.08 3m3y h ILE 95 Ca 0.16 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 3m3y h ILE 95 Cb 0.10 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3m3y h ILE 95 CO -0.14 0.27 -0.19 0.78 0.00 0.00 0.00 178.15 178.87 3m3y h ASN 96 N 0.94 0.46 0.01 1.72 2.35 -0.40 0.38 115.58 121.04 3m3y h ASN 96 Ca 0.23 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3m3y h ASN 96 Cb 0.13 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3m3y h ASN 96 CO -0.03 0.67 -0.46 0.11 -1.65 0.00 0.00 177.43 176.07 3m3y h LYS 97 N 0.42 0.53 -0.02 0.81 1.57 -0.96 -1.41 116.57 117.51 3m3y h LYS 97 Ca 0.07 -0.29 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 3m3y h LYS 97 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3m3y h LYS 97 CO 0.04 0.88 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.91 3m3y h LEU 98 N 0.43 0.34 -0.97 2.94 3.38 -0.55 0.37 115.31 121.25 3m3y h LEU 98 Ca 0.03 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3m3y h LEU 98 Cb 0.97 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3m3y h LEU 98 CO 0.09 1.02 -0.06 1.23 0.09 0.00 0.00 178.44 180.80 3m3y h GLY 99 N 1.59 0.73 0.38 0.83 0.00 -0.13 -0.71 103.07 105.76 3m3y h GLY 99 Ca -0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3m3y h GLY 99 CO 0.13 0.47 -0.15 0.00 0.00 0.00 0.00 176.54 176.99 3m3y h ALA 100 N 1.30 0.03 -0.88 3.60 0.00 -1.00 -3.02 119.26 119.28 3m3y h ALA 100 Ca 0.12 -0.43 0.22 0.00 0.00 0.00 0.00 54.91 54.82 3m3y h ALA 100 Cb 0.49 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3m3y h ALA 100 CO 0.03 0.00 0.60 1.25 0.00 0.00 0.00 179.25 181.13 3m3y h LEU 101 N -0.58 0.28 0.43 0.00 7.12 -0.13 -0.25 115.31 122.18 3m3y h LEU 101 Ca -0.02 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 3m3y h LEU 101 Cb 0.89 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 3m3y h LEU 101 CO 0.03 0.11 -0.21 0.50 -0.13 0.00 0.00 178.44 178.74 3m3y h LYS 102 N 0.28 -0.55 -0.63 1.25 3.64 -1.12 -2.44 116.57 116.99 3m3y h LYS 102 Ca 0.45 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.78 3m3y h LYS 102 Cb 1.30 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 3m3y h LYS 102 CO -0.13 -0.26 0.04 1.15 -2.27 0.00 0.00 179.45 177.99 3m3y h THR 103 N -1.00 1.26 -0.18 1.00 2.02 -1.30 -1.73 112.91 112.99 3m3y h THR 103 Ca -0.06 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.03 3m3y h THR 103 Cb 0.55 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3m3y h THR 103 CO 0.10 0.41 0.12 0.78 0.37 0.00 0.00 175.52 177.30 3m3y h ASN 104 N 1.00 0.13 -0.07 4.18 2.35 -1.16 -1.82 115.58 120.19 3m3y h ASN 104 Ca 0.19 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3m3y h ASN 104 Cb 0.51 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3m3y h ASN 104 CO 0.02 0.09 -0.33 0.15 -1.65 0.00 0.00 177.43 175.71 3m3y h PHE 105 N 0.15 0.47 0.03 1.19 3.57 -0.83 -3.25 116.94 118.27 3m3y h PHE 105 Ca 0.07 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.39 3m3y h PHE 105 Cb 0.11 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3m3y h PHE 105 CO -0.00 0.95 -0.16 0.93 -2.23 0.00 0.00 178.31 177.80 3m3y h GLU 106 N -0.14 -0.27 0.00 1.11 5.08 -0.64 -1.09 114.58 118.64 3m3y h GLU 106 Ca -0.02 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3m3y h GLU 106 Cb 0.99 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3m3y h GLU 106 CO 0.07 -0.18 -0.10 1.15 -1.00 0.00 0.00 179.01 178.95 3m3y h THR 107 N -0.28 1.05 -0.33 1.13 2.02 -1.50 0.43 112.91 115.43 3m3y h THR 107 Ca 0.04 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 3m3y h THR 107 Cb 0.33 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3m3y h THR 107 CO -0.13 0.10 -0.01 -0.33 0.37 0.00 0.00 175.52 175.51 3m3y h GLU 108 N 0.00 0.59 -0.28 6.66 4.39 -1.49 -3.29 114.58 121.15 3m3y h GLU 108 Ca -0.00 -0.19 -0.18 0.00 0.34 0.00 0.00 59.36 59.33 3m3y h GLU 108 Cb 0.18 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3m3y h GLU 108 CO 0.01 0.73 -0.52 2.35 -1.16 0.00 0.00 179.01 180.42 3m3y h TRP 109 N 0.39 1.07 0.00 4.33 2.91 0.94 -2.71 115.95 122.89 3m3y h TRP 109 Ca 0.09 -0.38 0.00 0.00 1.13 0.00 0.00 58.89 59.73 3m3y h TRP 109 Cb 0.47 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 3m3y h TRP 109 CO 0.04 1.20 0.00 0.09 -1.03 0.00 0.00 178.44 178.74 3m3y n ASN 110 N -4.04 0.00 -0.69 2.65 3.02 0.10 -1.53 115.26 114.77 3m3y n ASN 110 Ca -0.04 -0.29 0.09 0.00 -0.03 0.00 0.00 54.58 54.30 3m3y n ASN 110 Cb 0.61 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.85 3m3y n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3m3y n LEU 111 N -0.92 2.44 0.00 3.41 4.77 -1.02 -5.05 117.00 120.63 3m3y n LEU 111 Ca 0.05 -1.00 -0.09 0.00 -0.03 0.00 0.00 56.01 54.94 3m3y n LEU 111 Cb 0.02 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3m3y n LEU 111 CO 0.04 0.43 0.23 0.00 -1.33 0.00 0.00 177.39 176.76 3m3y n GLN 112 N 0.96 0.22 -3.70 3.23 1.13 -0.58 -5.13 117.38 113.52 3m3y n GLN 112 Ca 0.10 -1.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.04 3m3y n GLN 112 Cb 0.44 -0.29 -0.09 0.00 0.11 0.00 0.00 30.24 30.40 3m3y n GLN 112 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3m3y s THR 113 N -1.18 -0.00 0.00 5.09 2.01 -1.26 -5.14 115.64 115.16 3m3y s THR 113 Ca 0.26 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3m3y s THR 113 Cb -0.01 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3m3y s THR 113 CO 0.17 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 174.00