#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfa s ILE 2 N 0.00 2.87 -0.09 0.00 -4.36 -1.26 -5.04 121.20 113.31 1mfa s ILE 2 Ca 0.00 0.28 0.01 0.00 -0.26 0.00 0.00 60.65 60.69 1mfa s ILE 2 Cb 0.00 -2.94 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 1mfa s ILE 2 CO 0.00 -0.37 -0.13 -0.69 0.24 0.00 0.00 174.94 173.99 1mfa s VAL 3 N -3.09 3.14 -0.14 8.37 1.01 -1.26 -4.96 120.40 123.47 1mfa s VAL 3 Ca 0.62 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1mfa s VAL 3 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1mfa s VAL 3 CO 0.55 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 175.49 1mfa s VAL 4 N -0.17 4.02 -0.02 2.92 1.01 -1.26 -0.91 120.40 125.98 1mfa s VAL 4 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1mfa s VAL 4 Cb -0.13 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1mfa s VAL 4 CO 0.03 0.51 -0.22 -0.89 0.00 0.00 0.00 175.10 174.54 1mfa s THR 5 N 0.10 1.74 0.12 3.92 2.01 -0.35 -4.28 115.64 118.90 1mfa s THR 5 Ca 0.00 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1mfa s THR 5 Cb -0.13 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1mfa s THR 5 CO 0.02 0.49 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.27 1mfa s GLN 6 N -0.44 0.94 0.33 4.92 -0.21 -1.26 -0.68 119.66 123.26 1mfa s GLN 6 Ca 0.06 -1.39 -0.29 0.00 0.02 0.00 0.00 55.36 53.76 1mfa s GLN 6 Cb -0.09 -0.38 -0.11 0.00 1.00 0.00 0.00 33.01 33.42 1mfa s GLN 6 CO -0.00 0.02 1.51 -1.21 -2.12 0.00 0.00 175.29 173.49 1mfa s GLU 7 N -3.80 4.14 0.18 2.91 8.01 -1.26 -4.88 118.70 123.99 1mfa s GLU 7 Ca 0.14 2.53 -0.09 0.00 0.01 0.00 0.00 54.97 57.56 1mfa s GLU 7 Cb 0.04 -3.01 0.06 0.00 -4.31 0.00 0.00 34.13 26.91 1mfa s GLU 7 CO -0.02 -0.54 1.63 0.77 0.01 0.00 0.00 175.26 177.11 1mfa h SER 8 N 3.85 1.05 -4.11 -0.19 0.02 -1.96 -3.33 113.55 108.88 1mfa h SER 8 Ca -0.49 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.07 1mfa h SER 8 Cb 1.23 -0.28 -0.22 0.00 0.14 0.00 0.00 62.40 63.27 1mfa h SER 8 CO 0.71 1.11 0.01 0.00 -1.14 0.00 0.00 176.83 177.52 1mfa s ALA 9 N -4.98 -1.50 -0.01 3.77 0.00 -1.26 -1.22 121.76 116.55 1mfa s ALA 9 Ca -0.12 1.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 1mfa s ALA 9 Cb 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1mfa s ALA 9 CO 0.86 -0.29 0.07 -0.51 0.00 0.00 0.00 175.76 175.88 1mfa s LEU 10 N 0.09 1.78 -0.11 0.00 1.43 -0.93 -4.96 118.68 116.00 1mfa s LEU 10 Ca -0.02 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1mfa s LEU 10 Cb -0.04 0.30 -0.01 0.00 0.03 0.00 0.00 46.19 46.47 1mfa s LEU 10 CO 0.02 -0.13 -0.19 -0.89 0.23 0.00 0.00 176.35 175.39 1mfa s THR 11 N -0.46 2.57 0.29 5.49 2.01 -1.26 -0.99 115.64 123.28 1mfa s THR 11 Ca -0.05 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1mfa s THR 11 Cb -0.03 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 1mfa s THR 11 CO 0.00 0.55 0.05 0.28 -0.69 0.00 0.00 174.62 174.81 1mfa s THR 12 N 0.22 1.00 0.19 -0.82 -1.32 0.06 -4.97 115.64 110.00 1mfa s THR 12 Ca -0.12 -2.01 0.03 0.00 -1.21 0.00 0.00 61.69 58.39 1mfa s THR 12 Cb -0.16 -2.66 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1mfa s THR 12 CO 0.06 -0.07 0.32 -0.44 -2.21 0.00 0.00 174.62 172.29 1mfa s SER 13 N -3.40 6.33 0.27 8.08 0.01 -1.26 -1.06 113.70 122.66 1mfa s SER 13 Ca 0.35 0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.45 1mfa s SER 13 Cb 0.08 -1.89 -0.14 0.00 0.21 0.00 0.00 66.02 64.28 1mfa s SER 13 CO 0.14 -0.01 1.22 -2.65 0.41 0.00 0.00 173.24 172.35 1mfa n PRO 14 N -0.94 1.72 0.00 12.44 -0.02 -1.26 -2.58 135.00 144.36 1mfa n PRO 14 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1mfa n PRO 14 Cb 0.55 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1mfa n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mfa n GLY 15 N 1.51 2.18 3.89 -1.23 0.00 0.30 -4.89 105.19 106.95 1mfa n GLY 15 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1mfa n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mfa s GLU 16 N -0.35 3.60 -0.05 1.61 0.41 -1.07 -4.26 118.70 118.60 1mfa s GLU 16 Ca 0.00 0.40 -0.17 0.00 -0.41 0.00 0.00 54.97 54.80 1mfa s GLU 16 Cb 0.00 -2.29 -0.05 0.00 -1.78 0.00 0.00 34.13 30.01 1mfa s GLU 16 CO 0.00 -0.28 0.46 0.99 -0.49 0.00 0.00 175.26 175.93 1mfa s THR 17 N -2.81 5.06 0.01 3.63 2.01 -1.26 -0.32 115.64 121.96 1mfa s THR 17 Ca 0.50 0.93 0.05 0.00 0.31 0.00 0.00 61.69 63.48 1mfa s THR 17 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1mfa s THR 17 CO 0.45 0.46 -0.14 0.54 -0.69 0.00 0.00 174.62 175.24 1mfa s VAL 18 N -0.31 1.10 -0.05 3.82 0.11 -0.27 -4.94 120.40 119.86 1mfa s VAL 18 Ca 0.25 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.60 1mfa s VAL 18 Cb -0.16 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1mfa s VAL 18 CO 0.13 0.19 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.98 1mfa s THR 19 N -0.53 1.77 -0.05 5.04 2.01 -1.26 -0.74 115.64 121.87 1mfa s THR 19 Ca 0.04 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1mfa s THR 19 Cb -0.06 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1mfa s THR 19 CO 0.00 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.57 1mfa s LEU 20 N -0.12 3.01 0.28 4.42 1.02 0.24 -4.96 118.68 122.57 1mfa s LEU 20 Ca -0.02 -0.10 0.10 0.00 0.02 0.00 0.00 54.13 54.13 1mfa s LEU 20 Cb -0.12 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 1mfa s LEU 20 CO 0.03 0.35 -0.16 0.42 0.02 0.00 0.00 176.35 177.01 1mfa s THR 21 N -0.80 2.19 -0.06 5.49 -4.23 -1.26 -0.94 115.64 116.03 1mfa s THR 21 Ca 0.12 -2.30 -0.02 0.00 -1.18 0.00 0.00 61.69 58.31 1mfa s THR 21 Cb -0.11 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.44 1mfa s THR 21 CO 0.02 -0.40 0.07 0.00 -0.54 0.00 0.00 174.62 173.77 1mfa s ARG 23 N 2.18 1.99 -0.03 0.00 3.00 0.14 -1.76 118.95 124.47 1mfa s ARG 23 Ca 0.05 -1.04 -0.07 0.00 0.00 0.00 0.00 55.73 54.66 1mfa s ARG 23 Cb -0.13 -2.19 -0.05 0.00 0.00 0.00 0.00 34.95 32.59 1mfa s ARG 23 CO -0.04 0.52 0.24 0.45 0.00 0.00 0.00 175.30 176.47 1mfa s SER 24 N -1.75 6.49 0.10 0.23 0.15 -1.26 -1.21 113.70 116.44 1mfa s SER 24 Ca 0.16 0.56 0.15 0.00 0.70 0.00 0.00 55.95 57.53 1mfa s SER 24 Cb -0.11 -2.09 0.66 0.00 -1.71 0.00 0.00 66.02 62.77 1mfa s SER 24 CO 0.08 0.31 1.47 -1.54 1.20 0.00 0.00 173.24 174.75 1mfa n SER 25 N 1.42 0.23 0.03 5.45 3.41 -0.09 -1.91 113.62 122.16 1mfa n SER 25 Ca -0.14 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.15 1mfa n SER 25 Cb 0.53 -0.61 0.46 0.00 -0.26 0.00 0.00 64.21 64.34 1mfa n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mfa n THR 26 N -1.76 0.55 0.00 6.66 -2.24 -1.26 -4.92 114.28 111.31 1mfa n THR 26 Ca 0.02 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1mfa n THR 26 Cb 0.15 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1mfa n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfa n GLY 27 N 0.74 1.62 3.22 3.38 0.00 -0.80 -5.06 105.19 108.29 1mfa n GLY 27 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1mfa n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mfa s THR 28 N -1.88 0.08 -0.16 2.61 -4.23 -1.26 -4.87 115.64 105.93 1mfa s THR 28 Ca 0.00 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1mfa s THR 28 Cb 0.00 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.99 1mfa s THR 28 CO 0.00 -0.38 0.02 -0.69 -0.54 0.00 0.00 174.62 173.03 1mfa s VAL 29 N -2.18 4.41 0.44 2.29 1.01 -0.28 -4.66 120.40 121.44 1mfa s VAL 29 Ca -0.08 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1mfa s VAL 29 Cb -0.02 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1mfa s VAL 29 CO -0.01 0.49 0.07 0.42 0.00 0.00 0.00 175.10 176.07 1mfa s THR 30 N 0.20 1.84 0.49 3.92 -4.23 -1.26 -4.70 115.64 111.89 1mfa s THR 30 Ca 0.02 -1.90 0.15 0.00 -1.18 0.00 0.00 61.69 58.77 1mfa s THR 30 Cb -0.13 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.21 1mfa s THR 30 CO 0.01 0.00 2.09 0.77 -0.54 0.00 0.00 174.62 176.95 1mfa h SER 31 N 1.52 0.04 0.52 3.99 4.64 -2.01 -1.19 113.55 121.07 1mfa h SER 31 Ca -0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1mfa h SER 31 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1mfa h SER 31 CO 0.75 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1mfa n GLY 32 N -1.35 -1.04 0.06 -0.77 0.00 -1.26 -1.75 105.19 99.08 1mfa n GLY 32 Ca -0.02 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1mfa n GLY 32 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfa n ASN 33 N -1.70 0.47 -4.04 1.61 5.03 -0.45 -4.79 115.26 111.39 1mfa n ASN 33 Ca 0.03 -0.26 -0.28 0.00 0.87 0.00 0.00 54.58 54.93 1mfa n ASN 33 Cb 0.17 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.91 1mfa n ASN 33 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1mfa n HIS 34 N -1.25 -1.64 -1.59 3.10 8.25 -0.72 -0.53 115.22 120.84 1mfa n HIS 34 Ca 0.09 0.75 -0.52 0.00 -0.26 0.00 0.00 57.72 57.77 1mfa n HIS 34 Cb 0.32 -3.51 -0.06 0.00 1.12 0.00 0.00 29.99 27.86 1mfa n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mfa n ALA 35 N -4.42 -1.00 -2.42 -1.41 0.00 -1.26 -3.67 120.51 106.33 1mfa n ALA 35 Ca -0.23 0.52 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 1mfa n ALA 35 Cb 0.65 -2.07 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 1mfa n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mfa s ASN 36 N 0.55 3.63 -0.08 0.00 -0.87 -0.41 -0.52 114.94 117.24 1mfa s ASN 36 Ca 0.85 -0.41 0.02 0.00 -1.57 0.00 0.00 52.86 51.75 1mfa s ASN 36 Cb -0.96 -0.56 0.01 0.00 -0.02 0.00 0.00 41.25 39.72 1mfa s ASN 36 CO 0.47 0.28 -0.14 0.26 -2.57 0.00 0.00 177.10 175.41 1mfa s TRP 37 N -0.82 1.64 0.11 2.20 0.52 -0.55 -0.91 118.94 121.13 1mfa s TRP 37 Ca 0.13 -0.64 0.06 0.00 0.02 0.00 0.00 56.10 55.67 1mfa s TRP 37 Cb -0.10 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 31.00 1mfa s TRP 37 CO 0.03 -0.32 -0.14 0.14 0.02 0.00 0.00 176.95 176.67 1mfa s VAL 38 N 0.70 1.33 -0.11 4.03 -7.23 -0.53 -1.13 120.40 117.46 1mfa s VAL 38 Ca -0.14 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1mfa s VAL 38 Cb -0.16 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 1mfa s VAL 38 CO 0.03 -0.37 -0.08 -1.58 -0.31 0.00 0.00 175.10 172.79 1mfa s GLN 39 N -2.51 3.19 -0.24 4.82 0.74 0.08 -1.39 119.66 124.34 1mfa s GLN 39 Ca 0.07 -0.59 -0.04 0.00 0.05 0.00 0.00 55.36 54.85 1mfa s GLN 39 Cb -0.06 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.37 1mfa s GLN 39 CO 0.03 0.41 -0.02 -2.00 -0.55 0.00 0.00 175.29 173.16 1mfa s GLU 40 N -0.12 3.22 0.23 1.67 2.12 -0.04 -1.04 118.70 124.74 1mfa s GLU 40 Ca 0.01 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.65 1mfa s GLU 40 Cb -0.13 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1mfa s GLU 40 CO 0.03 -0.29 0.31 0.15 -0.54 0.00 0.00 175.26 174.93 1mfa s LYS 41 N 1.46 3.33 0.20 4.30 -0.14 0.46 -2.12 119.74 127.23 1mfa s LYS 41 Ca 0.04 -0.79 -0.33 0.00 -1.36 0.00 0.00 55.97 53.53 1mfa s LYS 41 Cb -0.15 -2.84 -0.14 0.00 -1.68 0.00 0.00 37.83 33.02 1mfa s LYS 41 CO -0.02 0.44 1.36 -2.30 -0.76 0.00 0.00 175.35 174.07 1mfa n PRO 42 N -1.20 1.74 -0.64 -1.68 -0.02 -1.26 -1.80 135.00 130.13 1mfa n PRO 42 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1mfa n PRO 42 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1mfa n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1mfa n ASP 43 N 2.35 -0.43 -3.75 2.55 5.68 -1.26 -4.27 116.55 117.41 1mfa n ASP 43 Ca 0.14 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.16 1mfa n ASP 43 Cb 0.28 -0.17 0.05 0.00 -1.14 0.00 0.00 41.12 40.14 1mfa n ASP 43 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1mfa n HIS 44 N -2.07 -2.62 -3.17 2.11 -0.00 -1.10 -4.95 115.22 103.42 1mfa n HIS 44 Ca 0.00 0.97 -0.43 0.00 -0.00 0.00 0.00 57.72 58.25 1mfa n HIS 44 Cb 0.15 -4.55 -0.07 0.00 -0.00 0.00 0.00 29.99 25.52 1mfa n HIS 44 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1mfa s LEU 45 N -7.29 4.84 -0.16 2.41 0.20 -0.75 -4.95 118.68 112.97 1mfa s LEU 45 Ca 0.62 -0.73 -0.05 0.00 0.69 0.00 0.00 54.13 54.65 1mfa s LEU 45 Cb -0.29 -2.50 -0.03 0.00 -0.43 0.00 0.00 46.19 42.93 1mfa s LEU 45 CO 0.78 -0.81 0.01 -0.36 -0.29 0.00 0.00 176.35 175.68 1mfa s PHE 46 N 2.59 3.15 -0.15 5.38 0.40 -1.26 -0.40 117.98 127.69 1mfa s PHE 46 Ca 0.16 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 1mfa s PHE 46 Cb -0.18 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.37 1mfa s PHE 46 CO 0.14 0.12 -0.20 0.99 0.70 0.00 0.00 175.22 176.97 1mfa s THR 47 N 0.20 2.19 0.11 0.64 2.01 -0.20 -4.98 115.64 115.61 1mfa s THR 47 Ca 0.01 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 1mfa s THR 47 Cb -0.13 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 1mfa s THR 47 CO 0.02 0.54 1.33 -0.83 -0.69 0.00 0.00 174.62 174.98 1mfa s GLY 48 N 0.95 2.15 -0.16 4.40 0.00 -1.26 -0.74 107.32 112.65 1mfa s GLY 48 Ca -0.04 1.05 -0.09 0.00 0.00 0.00 0.00 44.72 45.64 1mfa s GLY 48 CO -0.04 2.23 -0.23 1.04 0.00 0.00 0.00 173.10 176.09 1mfa n LEU 49 N 3.76 1.32 -3.84 0.66 4.32 -0.28 -4.65 117.00 118.29 1mfa n LEU 49 Ca 0.10 0.22 -0.13 0.00 -0.02 0.00 0.00 56.01 56.19 1mfa n LEU 49 Cb 0.43 -0.54 -0.15 0.00 -1.62 0.00 0.00 43.42 41.55 1mfa n LEU 49 CO 0.58 0.24 -0.35 -0.63 -1.22 0.00 0.00 177.39 176.00 1mfa s ILE 50 N -2.37 -0.02 0.17 -0.08 -1.09 -0.77 -0.53 121.20 116.51 1mfa s ILE 50 Ca -0.24 0.06 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1mfa s ILE 50 Cb 0.08 -0.03 -0.05 0.00 -1.58 0.00 0.00 42.46 40.89 1mfa s ILE 50 CO 0.31 0.03 -0.12 -0.83 -1.23 0.00 0.00 174.94 173.09 1mfa s GLY 51 N 0.32 1.24 -1.44 6.18 0.00 -0.10 -1.49 107.32 112.03 1mfa s GLY 51 Ca -0.03 -1.56 -0.02 0.00 0.00 0.00 0.00 44.72 43.12 1mfa s GLY 51 CO -0.01 -1.66 0.41 1.34 0.00 0.00 0.00 173.10 173.18 1mfa n ASP 52 N -0.24 -0.42 0.00 1.64 2.03 -1.16 -0.81 116.55 117.59 1mfa n ASP 52 Ca -0.09 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.18 1mfa n ASP 52 Cb 0.60 -2.89 0.00 0.00 -0.72 0.00 0.00 41.12 38.11 1mfa n ASP 52 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1mfa n THR 53 N -4.42 0.00 -1.13 5.18 -1.04 0.32 -4.06 114.28 109.13 1mfa n THR 53 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1mfa n THR 53 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1mfa n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1mfa n ASN 54 N 1.29 0.09 -4.54 8.00 2.04 -1.14 -3.26 115.26 117.75 1mfa n ASN 54 Ca 0.00 -1.22 -0.42 0.00 -0.44 0.00 0.00 54.58 52.50 1mfa n ASN 54 Cb 0.00 -0.04 -0.07 0.00 -2.53 0.00 0.00 39.78 37.14 1mfa n ASN 54 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1mfa s ASN 55 N -0.22 6.34 0.18 0.53 0.01 0.01 -4.64 114.94 117.14 1mfa s ASN 55 Ca 0.00 -0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 51.66 1mfa s ASN 55 Cb 0.00 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 1mfa s ASN 55 CO 0.00 -0.67 1.34 -0.13 -1.51 0.00 0.00 177.10 176.13 1mfa s ARG 56 N 2.67 4.36 0.95 -0.60 0.52 -1.26 -0.92 118.95 124.67 1mfa s ARG 56 Ca 0.22 2.07 -0.12 0.00 -0.52 0.00 0.00 55.73 57.38 1mfa s ARG 56 Cb -0.15 -3.21 0.16 0.00 0.52 0.00 0.00 34.95 32.28 1mfa s ARG 56 CO 0.17 -0.32 1.10 0.00 0.02 0.00 0.00 175.30 176.26 1mfa s ALA 57 N 0.40 1.24 -0.20 2.13 0.00 0.31 -4.88 121.76 120.76 1mfa s ALA 57 Ca 0.59 -0.27 -0.35 0.00 0.00 0.00 0.00 51.96 51.94 1mfa s ALA 57 Cb -0.37 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1mfa s ALA 57 CO 0.36 -2.61 1.99 -0.35 0.00 0.00 0.00 175.76 175.15 1mfa n PRO 58 N -4.03 1.71 -0.50 0.00 -0.04 -1.26 -2.66 135.00 128.22 1mfa n PRO 58 Ca 0.06 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1mfa n PRO 58 Cb 0.57 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1mfa n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mfa n GLY 59 N 5.12 0.83 3.73 0.55 0.00 -1.26 -5.03 105.19 109.14 1mfa n GLY 59 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1mfa n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mfa s VAL 60 N -3.04 3.30 0.44 1.61 1.01 -1.09 -4.98 120.40 117.65 1mfa s VAL 60 Ca 0.00 1.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1mfa s VAL 60 Cb 0.00 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1mfa s VAL 60 CO 0.00 0.14 0.83 -2.65 0.00 0.00 0.00 175.10 173.41 1mfa n PRO 61 N 2.96 1.00 0.12 2.72 -0.02 -1.26 -4.88 135.00 135.64 1mfa n PRO 61 Ca 0.07 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1mfa n PRO 61 Cb 0.43 -1.85 0.47 0.00 -0.02 0.00 0.00 33.50 32.53 1mfa n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mfa n ALA 62 N -0.77 1.48 0.79 3.55 0.00 -1.26 -2.22 120.51 122.08 1mfa n ALA 62 Ca 0.11 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.74 1mfa n ALA 62 Cb 0.40 -1.34 0.47 0.00 0.00 0.00 0.00 19.45 18.98 1mfa n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1mfa n ARG 63 N -2.13 0.07 -3.56 0.00 1.85 -1.26 -4.60 116.66 107.02 1mfa n ARG 63 Ca 0.01 0.13 -0.37 0.00 -1.00 0.00 0.00 57.85 56.62 1mfa n ARG 63 Cb 0.17 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.99 1mfa n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1mfa s PHE 64 N -2.90 3.37 0.03 2.89 0.40 -0.94 -0.88 117.98 119.95 1mfa s PHE 64 Ca 0.13 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1mfa s PHE 64 Cb 0.14 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 1mfa s PHE 64 CO 0.37 0.10 -0.04 -1.54 0.70 0.00 0.00 175.22 174.81 1mfa s SER 65 N 0.86 0.40 0.17 1.36 1.04 -0.42 -4.96 113.70 112.15 1mfa s SER 65 Ca 0.13 -0.56 0.11 0.00 0.48 0.00 0.00 55.95 56.11 1mfa s SER 65 Cb -0.13 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1mfa s SER 65 CO 0.05 -0.31 -0.25 -0.83 0.98 0.00 0.00 173.24 172.88 1mfa s GLY 66 N -1.63 1.66 0.26 7.32 0.00 -1.26 -0.76 107.32 112.91 1mfa s GLY 66 Ca -0.12 -1.57 -0.20 0.00 0.00 0.00 0.00 44.72 42.83 1mfa s GLY 66 CO -0.02 -1.57 0.91 -1.35 0.00 0.00 0.00 173.10 171.07 1mfa s SER 67 N -2.41 -0.05 -0.21 1.64 1.04 -0.55 -4.33 113.70 108.83 1mfa s SER 67 Ca 0.18 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.74 1mfa s SER 67 Cb -0.09 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1mfa s SER 67 CO 0.08 -1.27 0.05 -0.76 0.98 0.00 0.00 173.24 172.32 1mfa s LEU 68 N -3.17 3.53 -0.20 2.42 1.43 -1.26 -0.79 118.68 120.64 1mfa s LEU 68 Ca 0.17 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1mfa s LEU 68 Cb -0.04 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.32 1mfa s LEU 68 CO 0.07 0.07 -0.08 -0.63 0.23 0.00 0.00 176.35 176.01 1mfa s ILE 69 N 0.98 1.51 0.00 -0.59 1.01 0.44 -4.96 121.20 119.59 1mfa s ILE 69 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.71 1mfa s ILE 69 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1mfa s ILE 69 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1mfa n GLY 70 N 4.72 3.64 0.69 6.18 0.00 -1.26 -1.85 105.19 117.32 1mfa n GLY 70 Ca -0.14 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1mfa n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mfa n ASP 71 N 8.34 2.15 -4.39 1.61 8.00 -1.26 -4.90 116.55 126.10 1mfa n ASP 71 Ca 0.00 -1.72 -0.21 0.00 0.71 0.00 0.00 54.79 53.56 1mfa n ASP 71 Cb 0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 40.97 1mfa n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mfa s LYS 72 N -1.95 1.44 0.19 -1.24 1.02 -0.77 -1.12 119.74 117.31 1mfa s LYS 72 Ca 0.34 -1.60 -0.12 0.00 0.02 0.00 0.00 55.97 54.61 1mfa s LYS 72 Cb 0.20 -1.42 -0.07 0.00 -0.52 0.00 0.00 37.83 36.03 1mfa s LYS 72 CO 0.31 0.26 0.56 0.00 -0.92 0.00 0.00 175.35 175.57 1mfa s ALA 73 N -2.54 3.56 0.03 5.17 0.00 -0.72 -0.42 121.76 126.84 1mfa s ALA 73 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1mfa s ALA 73 Cb -0.04 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1mfa s ALA 73 CO 0.09 0.48 -0.05 0.00 0.00 0.00 0.00 175.76 176.28 1mfa s ALA 74 N -1.66 0.32 -0.18 0.00 0.00 0.03 -0.82 121.76 119.45 1mfa s ALA 74 Ca 0.43 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1mfa s ALA 74 Cb -0.13 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1mfa s ALA 74 CO 0.20 -0.07 -0.17 -1.17 0.00 0.00 0.00 175.76 174.56 1mfa s LEU 75 N -1.26 2.31 -0.10 0.00 2.96 -0.11 -1.49 118.68 120.99 1mfa s LEU 75 Ca -0.11 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1mfa s LEU 75 Cb -0.08 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 1mfa s LEU 75 CO -0.00 0.01 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.04 1mfa s THR 76 N 1.25 3.30 -0.30 3.68 2.01 0.06 -0.59 115.64 125.05 1mfa s THR 76 Ca 0.03 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1mfa s THR 76 Cb -0.14 -2.36 0.06 0.00 0.01 0.00 0.00 72.50 70.07 1mfa s THR 76 CO -0.09 0.55 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.74 1mfa s ILE 77 N -0.17 2.70 -0.46 1.82 1.01 0.09 -1.30 121.20 124.89 1mfa s ILE 77 Ca 0.01 -1.58 -0.23 0.00 0.00 0.00 0.00 60.65 58.85 1mfa s ILE 77 Cb -0.13 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.75 1mfa s ILE 77 CO 0.03 -0.16 0.76 -0.89 0.00 0.00 0.00 174.94 174.69 1mfa s THR 78 N 1.17 4.67 0.00 2.92 2.01 -0.06 -1.12 115.64 125.24 1mfa s THR 78 Ca -0.04 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1mfa s THR 78 Cb -0.20 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.00 1mfa s THR 78 CO -0.03 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 173.79 1mfa n GLY 79 N 5.01 0.44 3.74 4.40 0.00 -0.64 -4.76 105.19 113.37 1mfa n GLY 79 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1mfa n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfa n ALA 80 N -1.08 1.98 -2.62 4.61 0.00 0.56 -4.50 120.51 119.46 1mfa n ALA 80 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 1mfa n ALA 80 Cb 0.43 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.42 1mfa n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mfa s GLN 81 N -1.52 2.24 0.41 0.00 -1.52 -1.26 -0.54 119.66 117.47 1mfa s GLN 81 Ca 0.58 -1.12 0.19 0.00 -1.95 0.00 0.00 55.36 53.06 1mfa s GLN 81 Cb -0.52 -2.30 1.10 0.00 -0.22 0.00 0.00 33.01 31.07 1mfa s GLN 81 CO 0.59 0.47 1.80 -1.35 -0.25 0.00 0.00 175.29 176.55 1mfa h PRO 82 N 3.05 0.38 0.00 2.91 0.11 -1.92 0.11 132.00 136.64 1mfa h PRO 82 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1mfa h PRO 82 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1mfa h PRO 82 CO 0.55 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1mfa n GLU 83 N -4.56 0.06 0.00 1.05 0.00 -1.26 -1.69 120.64 114.24 1mfa n GLU 83 Ca 0.23 0.22 0.15 0.00 0.00 0.00 0.00 57.16 57.75 1mfa n GLU 83 Cb 0.82 -1.50 0.75 0.00 0.00 0.00 0.00 31.44 31.51 1mfa n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mfa n ASP 84 N -1.44 0.00 -4.62 -1.84 8.00 0.39 -4.77 116.55 112.27 1mfa n ASP 84 Ca 0.05 -0.19 -0.43 0.00 0.71 0.00 0.00 54.79 54.93 1mfa n ASP 84 Cb 0.16 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1mfa n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1mfa s GLU 85 N -2.53 3.54 0.10 -1.24 2.12 -0.68 -4.86 118.70 115.14 1mfa s GLU 85 Ca 0.29 1.86 -0.18 0.00 0.36 0.00 0.00 54.97 57.30 1mfa s GLU 85 Cb 0.20 -4.19 0.06 0.00 0.26 0.00 0.00 34.13 30.46 1mfa s GLU 85 CO 0.44 -1.62 0.87 0.00 -0.54 0.00 0.00 175.26 174.41 1mfa n ALA 86 N 9.71 -2.32 -2.78 6.30 0.00 -1.17 -4.98 120.51 125.27 1mfa n ALA 86 Ca 0.23 -0.76 -0.35 0.00 0.00 0.00 0.00 53.44 52.56 1mfa n ALA 86 Cb 0.45 0.36 -0.09 0.00 0.00 0.00 0.00 19.45 20.17 1mfa n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mfa s ILE 87 N -2.13 4.59 -0.12 0.00 1.01 -0.90 -1.19 121.20 122.45 1mfa s ILE 87 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1mfa s ILE 87 Cb -0.02 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1mfa s ILE 87 CO 0.03 0.55 -0.16 -0.31 0.00 0.00 0.00 174.94 175.05 1mfa s TYR 88 N -0.39 2.74 -0.09 3.97 1.51 0.08 -0.86 117.35 124.31 1mfa s TYR 88 Ca 0.08 -0.77 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1mfa s TYR 88 Cb -0.12 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1mfa s TYR 88 CO 0.02 -0.28 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.95 1mfa s PHE 89 N 0.37 2.67 0.01 2.71 0.08 -0.49 -0.93 117.98 122.40 1mfa s PHE 89 Ca -0.13 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.28 1mfa s PHE 89 Cb -0.16 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1mfa s PHE 89 CO 0.06 -0.16 0.19 0.00 -0.10 0.00 0.00 175.22 175.21 1mfa s ALA 91 N -1.36 -0.03 0.01 0.00 0.00 -0.09 -1.16 121.76 119.13 1mfa s ALA 91 Ca 0.29 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1mfa s ALA 91 Cb -0.13 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1mfa s ALA 91 CO 0.21 -0.10 -0.25 -0.51 0.00 0.00 0.00 175.76 175.11 1mfa s LEU 92 N -0.75 2.10 -0.38 0.00 1.43 -0.43 -1.29 118.68 119.36 1mfa s LEU 92 Ca -0.08 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 1mfa s LEU 92 Cb -0.05 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.94 1mfa s LEU 92 CO -0.00 0.27 0.75 0.86 0.23 0.00 0.00 176.35 178.46 1mfa s TRP 93 N -0.68 3.09 -0.08 0.29 -0.11 0.31 -1.25 118.94 120.52 1mfa s TRP 93 Ca 0.10 0.40 -0.03 0.00 1.22 0.00 0.00 56.10 57.79 1mfa s TRP 93 Cb -0.10 -3.40 0.05 0.00 -1.50 0.00 0.00 33.47 28.52 1mfa s TRP 93 CO 0.00 -0.77 0.16 0.45 -4.62 0.00 0.00 176.95 172.17 1mfa s SER 94 N 1.90 0.62 -1.42 5.86 0.15 0.12 -4.26 113.70 116.68 1mfa s SER 94 Ca 0.29 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 1mfa s SER 94 Cb -0.13 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1mfa s SER 94 CO 0.18 -0.23 0.87 0.59 1.20 0.00 0.00 173.24 175.85 1mfa n ASN 95 N 5.14 -3.25 -3.12 5.45 4.13 -1.26 -1.74 115.26 120.61 1mfa n ASN 95 Ca -0.08 -0.78 -0.23 0.00 1.68 0.00 0.00 54.58 55.17 1mfa n ASN 95 Cb 0.50 -4.07 0.04 0.00 -1.54 0.00 0.00 39.78 34.71 1mfa n ASN 95 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mfa n ASN 96 N -2.95 -6.07 -3.99 6.41 3.02 -1.26 -5.01 115.26 105.41 1mfa n ASN 96 Ca -0.12 -0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 1mfa n ASN 96 Cb 0.60 -4.89 -0.13 0.00 -0.61 0.00 0.00 39.78 34.75 1mfa n ASN 96 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1mfa s HIS 97 N -3.19 0.51 -0.14 3.10 3.76 -0.71 -5.12 115.29 113.49 1mfa s HIS 97 Ca 0.35 -0.26 -0.19 0.00 -0.15 0.00 0.00 55.06 54.80 1mfa s HIS 97 Cb -0.16 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 1mfa s HIS 97 CO 0.43 -0.04 0.55 -1.58 -0.85 0.00 0.00 174.74 173.24 1mfa s TRP 98 N -0.66 3.46 -0.12 1.40 0.52 -1.26 -0.70 118.94 121.59 1mfa s TRP 98 Ca -0.04 0.92 0.03 0.00 0.02 0.00 0.00 56.10 57.04 1mfa s TRP 98 Cb -0.05 -2.66 0.00 0.00 -1.15 0.00 0.00 33.47 29.61 1mfa s TRP 98 CO 0.00 0.03 -0.22 0.42 0.02 0.00 0.00 176.95 177.20 1mfa s ILE 99 N 1.12 2.15 -0.01 2.03 -1.09 -0.38 -4.94 121.20 120.08 1mfa s ILE 99 Ca 0.28 -0.97 -0.08 0.00 -2.23 0.00 0.00 60.65 57.64 1mfa s ILE 99 Cb -0.16 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.84 1mfa s ILE 99 CO 0.11 0.55 0.28 -0.36 -1.23 0.00 0.00 174.94 174.29 1mfa s PHE 100 N 0.49 3.61 0.93 3.97 0.40 -1.26 -1.31 117.98 124.82 1mfa s PHE 100 Ca -0.15 0.66 -0.13 0.00 -0.60 0.00 0.00 56.93 56.71 1mfa s PHE 100 Cb -0.17 -2.05 0.15 0.00 0.51 0.00 0.00 43.02 41.46 1mfa s PHE 100 CO 0.05 0.64 1.16 0.20 0.70 0.00 0.00 175.22 177.98 1mfa s GLY 101 N -1.45 1.60 0.00 4.36 0.00 -0.31 -4.51 107.32 107.02 1mfa s GLY 101 Ca 0.25 -0.67 0.31 0.00 0.00 0.00 0.00 44.72 44.60 1mfa s GLY 101 CO 0.13 -0.06 2.07 0.61 0.00 0.00 0.00 173.10 175.86 1mfa n GLY 102 N -2.42 -1.04 0.00 0.20 0.00 -1.26 -4.75 105.19 95.92 1mfa n GLY 102 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1mfa n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfa n GLY 103 N 1.16 0.06 3.30 -0.02 0.00 -1.26 -5.01 105.19 103.43 1mfa n GLY 103 Ca 0.18 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 1mfa n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mfa s THR 104 N -1.90 3.00 -0.31 2.61 2.01 -0.11 -4.40 115.64 116.54 1mfa s THR 104 Ca 0.00 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1mfa s THR 104 Cb 0.00 -2.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.20 1mfa s THR 104 CO 0.00 0.49 0.77 -0.75 -0.69 0.00 0.00 174.62 174.43 1mfa s LYS 105 N 0.98 3.94 -0.23 4.92 2.20 -0.36 -0.74 119.74 130.46 1mfa s LYS 105 Ca -0.01 0.53 -0.13 0.00 -0.36 0.00 0.00 55.97 56.00 1mfa s LYS 105 Cb -0.15 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1mfa s LYS 105 CO -0.01 -0.67 0.28 -1.17 -0.36 0.00 0.00 175.35 173.42 1mfa s LEU 106 N 2.91 4.12 -0.16 5.43 2.96 -0.33 -2.18 118.68 131.44 1mfa s LEU 106 Ca 0.31 0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1mfa s LEU 106 Cb -0.14 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1mfa s LEU 106 CO 0.13 -0.02 0.03 -0.89 -1.32 0.00 0.00 176.35 174.27 1mfa s THR 107 N 1.27 4.50 -0.20 3.68 2.01 -0.16 -3.05 115.64 123.69 1mfa s THR 107 Ca 0.13 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 1mfa s THR 107 Cb -0.14 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1mfa s THR 107 CO 0.07 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 1mfa s VAL 108 N 0.20 3.14 0.66 3.82 1.01 -1.26 -0.77 120.40 127.20 1mfa s VAL 108 Ca 0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1mfa s VAL 108 Cb -0.13 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1mfa s VAL 108 CO 0.01 0.46 1.22 -0.76 0.00 0.00 0.00 175.10 176.03 1mfa s LEU 109 N 1.21 3.51 0.00 3.92 1.43 -0.23 -4.89 118.68 123.63 1mfa s LEU 109 Ca 0.02 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1mfa s LEU 109 Cb -0.14 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.48 1mfa s LEU 109 CO -0.03 -1.93 0.00 0.61 0.23 0.00 0.00 176.35 175.23 1mfa n GLY 110 N 0.50 -1.05 3.77 -3.19 0.00 -1.26 -4.38 105.19 99.59 1mfa n GLY 110 Ca 0.14 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 1mfa n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mfa s GLN 111 N 0.00 3.11 0.00 1.61 -0.21 -1.26 -5.16 119.66 117.74 1mfa s GLN 111 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1mfa s GLN 111 Cb 0.00 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 31.11 1mfa s GLN 111 CO 0.00 0.68 0.00 -3.68 -2.12 0.00 0.00 175.29 170.17 1mfa n PRO 112 N 1.54 0.00 -0.71 2.91 -0.07 -1.26 -4.96 135.00 132.45 1mfa n PRO 112 Ca -0.15 0.00 0.00 0.00 -0.07 0.00 0.00 63.50 63.28 1mfa n PRO 112 Cb 0.53 0.00 0.00 0.00 -0.07 0.00 0.00 33.50 33.96 1mfa n PRO 112 CO 0.00 0.00 0.00 0.41 -0.07 0.00 0.00 175.50 175.84