#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtf n GLU 14 N 0.00 -3.79 0.00 0.00 0.28 -1.26 -4.74 120.64 111.13 2rtf n GLU 14 Ca 0.00 -0.99 0.00 0.00 -0.16 0.00 0.00 57.16 56.01 2rtf n GLU 14 Cb 0.00 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 31.63 2rtf n GLU 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rtf n ALA 15 N -4.83 0.00 -1.19 -1.84 0.00 -1.26 -4.98 120.51 106.41 2rtf n ALA 15 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 2rtf n ALA 15 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 2rtf n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rtf n GLY 16 N 0.00 3.69 0.14 0.00 0.00 -1.26 -4.05 105.19 103.71 2rtf n GLY 16 Ca 0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 2rtf n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2rtf h ILE 17 N 2.46 0.81 -3.52 -0.61 2.04 -1.96 -3.45 117.51 113.29 2rtf h ILE 17 Ca 0.52 -2.47 -0.55 0.00 1.00 0.00 0.00 64.86 63.36 2rtf h ILE 17 Cb 0.90 2.64 0.10 0.00 -0.74 0.00 0.00 36.82 39.72 2rtf h ILE 17 CO 0.99 0.86 0.74 0.41 0.00 0.00 0.00 178.15 181.14 2rtf n THR 18 N -3.51 1.64 -0.94 -0.27 -1.04 -1.26 -4.79 114.28 104.12 2rtf n THR 18 Ca -0.27 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 2rtf n THR 18 Cb 1.06 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 2rtf n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtf n GLY 19 N 1.13 0.52 3.29 3.41 0.00 -0.78 -5.00 105.19 107.75 2rtf n GLY 19 Ca 0.05 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 2rtf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtf s THR 20 N -2.54 2.79 0.28 2.61 2.01 -1.26 -1.64 115.64 117.89 2rtf s THR 20 Ca 0.00 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.38 2rtf s THR 20 Cb 0.00 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2rtf s THR 20 CO 0.00 0.51 -0.16 0.26 -0.69 0.00 0.00 174.62 174.53 2rtf s TRP 21 N 0.80 2.17 0.04 4.92 0.52 0.46 -4.50 118.94 123.35 2rtf s TRP 21 Ca -0.05 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 55.66 2rtf s TRP 21 Cb -0.15 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.13 2rtf s TRP 21 CO 0.00 0.60 -0.07 0.71 0.02 0.00 0.00 176.95 178.21 2rtf s TYR 22 N -2.65 0.63 0.53 -1.98 1.51 0.67 -1.04 117.35 115.03 2rtf s TYR 22 Ca 0.29 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2rtf s TYR 22 Cb -0.03 -0.38 0.01 0.00 -0.11 0.00 0.00 41.96 41.46 2rtf s TYR 22 CO 0.13 -0.09 0.14 0.54 -1.11 0.00 0.00 175.55 175.16 2rtf s ASN 23 N -1.56 4.31 0.16 2.29 2.20 -0.78 -1.66 114.94 119.91 2rtf s ASN 23 Ca -0.11 -1.54 0.09 0.00 -0.94 0.00 0.00 52.86 50.36 2rtf s ASN 23 Cb -0.10 0.58 0.51 0.00 -2.00 0.00 0.00 41.25 40.24 2rtf s ASN 23 CO 0.00 -0.98 1.24 0.00 -2.94 0.00 0.00 177.10 174.42 2rtf n GLN 24 N -1.46 0.06 0.00 3.55 0.00 -1.20 -0.30 117.38 118.03 2rtf n GLN 24 Ca -0.14 0.53 0.11 0.00 0.00 0.00 0.00 57.00 57.49 2rtf n GLN 24 Cb 0.66 -1.78 0.03 0.00 0.00 0.00 0.00 30.24 29.15 2rtf n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2rtf n LEU 25 N -1.81 1.39 0.00 2.61 4.77 -1.26 -4.94 117.00 117.75 2rtf n LEU 25 Ca -0.01 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2rtf n LEU 25 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2rtf n LEU 25 CO 0.04 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2rtf n GLY 26 N 1.45 0.64 3.85 -0.72 0.00 0.59 -4.67 105.19 106.33 2rtf n GLY 26 Ca 0.07 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2rtf n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtf s SER 27 N -2.48 6.50 -0.13 1.61 0.01 -1.26 -4.58 113.70 113.38 2rtf s SER 27 Ca 0.00 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2rtf s SER 27 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 2rtf s SER 27 CO 0.00 -0.67 -0.14 -0.89 0.41 0.00 0.00 173.24 171.95 2rtf s THR 28 N -2.79 2.95 -0.22 1.44 2.01 -0.54 -1.86 115.64 116.63 2rtf s THR 28 Ca 0.58 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2rtf s THR 28 Cb -0.10 -2.23 0.05 0.00 0.01 0.00 0.00 72.50 70.23 2rtf s THR 28 CO 0.38 0.53 -0.11 0.12 -0.69 0.00 0.00 174.62 174.85 2rtf s PHE 29 N 0.33 2.70 -0.29 4.92 5.36 -0.20 -1.74 117.98 129.06 2rtf s PHE 29 Ca -0.12 -1.82 -0.04 0.00 -0.96 0.00 0.00 56.93 53.99 2rtf s PHE 29 Cb -0.16 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 2rtf s PHE 29 CO 0.06 -0.79 0.03 0.42 -1.46 0.00 0.00 175.22 173.47 2rtf s ILE 30 N 1.30 3.36 0.20 3.12 1.01 -0.71 -0.41 121.20 129.06 2rtf s ILE 30 Ca -0.03 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 59.61 2rtf s ILE 30 Cb -0.17 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2rtf s ILE 30 CO -0.08 -0.00 -0.14 0.54 0.00 0.00 0.00 174.94 175.26 2rtf s VAL 31 N 1.36 1.66 -0.07 2.92 0.11 -0.65 -1.72 120.40 124.01 2rtf s VAL 31 Ca -0.01 -2.18 0.02 0.00 -2.93 0.00 0.00 61.98 56.88 2rtf s VAL 31 Cb -0.18 -2.01 0.01 0.00 -1.53 0.00 0.00 36.38 32.67 2rtf s VAL 31 CO -0.00 -0.61 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.14 2rtf s THR 32 N -2.99 1.18 -0.13 5.04 2.01 -0.42 -1.86 115.64 118.46 2rtf s THR 32 Ca 0.21 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 2rtf s THR 32 Cb -0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2rtf s THR 32 CO 0.06 0.37 0.03 0.00 -0.69 0.00 0.00 174.62 174.38 2rtf s ALA 33 N 0.73 3.32 0.23 7.40 0.00 -1.26 -2.05 121.76 130.14 2rtf s ALA 33 Ca -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2rtf s ALA 33 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2rtf s ALA 33 CO 0.03 0.38 0.41 0.20 0.00 0.00 0.00 175.76 176.78 2rtf s GLY 34 N -0.24 1.63 0.19 0.00 0.00 0.13 -4.93 107.32 104.11 2rtf s GLY 34 Ca 0.07 -0.90 0.15 0.00 0.00 0.00 0.00 44.72 44.03 2rtf s GLY 34 CO 0.02 -0.86 1.45 0.00 0.00 0.00 0.00 173.10 173.71 2rtf n ALA 35 N -0.95 1.15 -0.12 3.20 0.00 -1.26 -2.67 120.51 119.86 2rtf n ALA 35 Ca -0.05 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2rtf n ALA 35 Cb 0.55 -1.22 0.25 0.00 0.00 0.00 0.00 19.45 19.02 2rtf n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rtf n ASP 36 N -1.97 3.56 0.00 0.00 2.03 -1.26 -4.94 116.55 113.97 2rtf n ASP 36 Ca -0.00 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.33 2rtf n ASP 36 Cb 0.06 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2rtf n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rtf n GLY 37 N 1.36 1.19 3.93 0.27 0.00 -1.09 -4.85 105.19 106.01 2rtf n GLY 37 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2rtf n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtf s ALA 38 N -2.00 3.81 -0.04 4.61 0.00 -1.25 -1.52 121.76 125.38 2rtf s ALA 38 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2rtf s ALA 38 Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.13 2rtf s ALA 38 CO 0.00 0.37 -0.05 -0.51 0.00 0.00 0.00 175.76 175.57 2rtf s LEU 39 N -3.46 1.43 0.13 0.00 1.43 -0.85 -0.69 118.68 116.66 2rtf s LEU 39 Ca 0.39 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2rtf s LEU 39 Cb -0.11 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 2rtf s LEU 39 CO 0.30 -0.03 -0.02 0.42 0.23 0.00 0.00 176.35 177.25 2rtf s THR 40 N 0.78 0.54 -5.00 5.49 -4.23 -0.87 -1.50 115.64 110.85 2rtf s THR 40 Ca -0.11 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2rtf s THR 40 Cb -0.14 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2rtf s THR 40 CO 0.01 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 2rtf n GLY 41 N -0.11 -0.29 3.19 3.99 0.00 -1.20 -1.30 105.19 109.47 2rtf n GLY 41 Ca -0.09 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 2rtf n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtf s THR 42 N -2.96 0.86 0.00 2.61 -4.23 -0.70 -2.17 115.64 109.05 2rtf s THR 42 Ca 0.00 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2rtf s THR 42 Cb 0.00 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 2rtf s THR 42 CO 0.00 -0.77 -0.05 -0.47 -0.54 0.00 0.00 174.62 172.80 2rtf s TYR 43 N -3.25 0.42 -0.08 3.99 6.14 -0.12 -1.75 117.35 122.71 2rtf s TYR 43 Ca 0.11 -0.14 -0.01 0.00 0.64 0.00 0.00 57.07 57.67 2rtf s TYR 43 Cb 0.03 -0.27 0.03 0.00 0.42 0.00 0.00 41.96 42.17 2rtf s TYR 43 CO -0.02 -0.02 -0.02 -2.00 0.64 0.00 0.00 175.55 174.12 2rtf s GLU 44 N -0.34 0.85 -0.00 4.97 2.12 -0.71 -0.82 118.70 124.76 2rtf s GLU 44 Ca -0.00 -0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.24 2rtf s GLU 44 Cb -0.03 -1.09 -0.05 0.00 0.26 0.00 0.00 34.13 33.22 2rtf s GLU 44 CO -0.00 -0.26 0.27 0.45 -0.54 0.00 0.00 175.26 175.18 2rtf s SER 45 N 1.74 6.52 0.22 -1.70 0.15 -1.26 -1.47 113.70 117.90 2rtf s SER 45 Ca 0.02 0.60 0.24 0.00 0.70 0.00 0.00 55.95 57.50 2rtf s SER 45 Cb -0.13 -2.11 0.30 0.00 -1.71 0.00 0.00 66.02 62.38 2rtf s SER 45 CO -0.05 0.27 1.35 0.00 1.20 0.00 0.00 173.24 176.02 2rtf h ALA 46 N 4.16 0.70 -2.21 5.45 0.00 -1.83 -3.45 119.26 122.08 2rtf h ALA 46 Ca -0.51 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 53.99 2rtf h ALA 46 Cb 1.20 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2rtf h ALA 46 CO 0.65 0.00 -0.71 0.14 0.00 0.00 0.00 179.25 179.32 2rtf s VAL 47 N -3.23 1.49 0.00 0.00 -7.23 -1.26 -5.05 120.40 105.12 2rtf s VAL 47 Ca 0.05 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 2rtf s VAL 47 Cb 0.10 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.99 2rtf s VAL 47 CO 0.72 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 2rtf n GLY 48 N -0.35 -3.36 3.21 2.32 0.00 -1.26 -4.61 105.19 101.15 2rtf n GLY 48 Ca -0.08 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2rtf n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtf n ASN 49 N -0.42 4.58 -3.68 1.61 5.15 -1.26 -4.82 115.26 116.41 2rtf n ASN 49 Ca 0.00 -2.91 -0.11 0.00 -0.60 0.00 0.00 54.58 50.96 2rtf n ASN 49 Cb 0.00 -1.68 -0.06 0.00 -0.53 0.00 0.00 39.78 37.51 2rtf n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtf s ALA 50 N 3.38 -0.85 -0.28 5.20 0.00 -1.26 -4.63 121.76 123.32 2rtf s ALA 50 Ca 0.50 0.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 2rtf s ALA 50 Cb 0.08 0.48 0.11 0.00 0.00 0.00 0.00 23.12 23.79 2rtf s ALA 50 CO 0.01 -0.52 0.96 -1.83 0.00 0.00 0.00 175.76 174.38 2rtf s GLU 51 N -3.10 0.57 2.39 0.00 -1.05 -1.26 -4.98 118.70 111.27 2rtf s GLU 51 Ca -0.01 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 55.50 2rtf s GLU 51 Cb 0.01 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2rtf s GLU 51 CO -0.07 -0.07 0.00 0.45 0.95 0.00 0.00 175.26 176.52 2rtf n SER 52 N 2.43 -1.25 -4.92 0.83 2.88 -1.26 -4.78 113.62 107.55 2rtf n SER 52 Ca -0.13 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.13 2rtf n SER 52 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 2rtf n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rtf s ARG 53 N 0.00 3.58 0.08 -1.46 0.52 -1.26 -4.51 118.95 115.89 2rtf s ARG 53 Ca 0.00 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.09 2rtf s ARG 53 Cb 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 2rtf s ARG 53 CO 0.00 0.30 -0.13 0.71 0.02 0.00 0.00 175.30 176.21 2rtf s TYR 54 N -1.99 1.14 0.26 -0.53 1.51 -0.00 -4.88 117.35 112.87 2rtf s TYR 54 Ca 0.41 -0.52 -0.24 0.00 -1.01 0.00 0.00 57.07 55.71 2rtf s TYR 54 Cb -0.11 -0.64 -0.09 0.00 -0.11 0.00 0.00 41.96 41.02 2rtf s TYR 54 CO 0.29 0.04 0.85 0.08 -1.11 0.00 0.00 175.55 175.71 2rtf s VAL 55 N -1.65 4.33 0.09 0.71 1.01 -1.26 -0.94 120.40 122.69 2rtf s VAL 55 Ca 0.00 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.68 2rtf s VAL 55 Cb -0.08 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2rtf s VAL 55 CO 0.02 0.24 -0.10 -1.48 0.00 0.00 0.00 175.10 173.78 2rtf s LEU 56 N -1.83 2.38 -0.06 3.92 0.05 -0.92 -4.38 118.68 117.83 2rtf s LEU 56 Ca 0.45 -0.77 -0.13 0.00 0.05 0.00 0.00 54.13 53.73 2rtf s LEU 56 Cb -0.19 -0.32 0.03 0.00 -2.05 0.00 0.00 46.19 43.66 2rtf s LEU 56 CO 0.24 -0.24 0.31 0.28 -0.55 0.00 0.00 176.35 176.39 2rtf s THR 57 N -2.23 0.03 0.00 5.48 -1.32 -1.08 -3.24 115.64 113.28 2rtf s THR 57 Ca 0.03 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2rtf s THR 57 Cb -0.04 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 2rtf s THR 57 CO 0.00 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 2rtf n GLY 58 N 2.05 2.15 3.22 6.08 0.00 -0.56 -1.21 105.19 116.92 2rtf n GLY 58 Ca -0.18 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 2rtf n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtf s ARG 59 N -1.13 0.76 0.22 1.61 1.81 -0.82 -2.01 118.95 119.38 2rtf s ARG 59 Ca 0.00 -0.58 -0.05 0.00 -1.72 0.00 0.00 55.73 53.38 2rtf s ARG 59 Cb 0.00 0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.79 2rtf s ARG 59 CO 0.00 -0.23 0.24 1.52 -0.68 0.00 0.00 175.30 176.15 2rtf s TYR 60 N -2.62 0.92 -0.33 -0.53 1.13 -0.58 -1.59 117.35 113.75 2rtf s TYR 60 Ca -0.05 -1.18 -0.24 0.00 -1.41 0.00 0.00 57.07 54.19 2rtf s TYR 60 Cb -0.01 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.53 2rtf s TYR 60 CO -0.04 -0.75 0.82 0.34 -2.51 0.00 0.00 175.55 173.41 2rtf s ASP 61 N -3.12 6.65 0.00 -0.18 3.68 -0.13 -4.59 116.67 118.98 2rtf s ASP 61 Ca 0.34 0.60 0.30 0.00 2.13 0.00 0.00 52.55 55.92 2rtf s ASP 61 Cb 0.05 -2.42 1.55 0.00 -1.45 0.00 0.00 42.92 40.65 2rtf s ASP 61 CO 0.11 -0.68 2.03 -1.54 0.13 0.00 0.00 175.17 175.22 2rtf n SER 62 N 6.36 0.40 -3.19 -0.34 3.41 -1.26 -3.90 113.62 115.10 2rtf n SER 62 Ca 0.04 -0.92 -0.20 0.00 -0.26 0.00 0.00 58.87 57.53 2rtf n SER 62 Cb 0.48 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 2rtf n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rtf n ALA 63 N -0.79 2.24 -0.60 7.33 0.00 -1.26 -4.86 120.51 122.57 2rtf n ALA 63 Ca 0.20 -3.45 -0.31 0.00 0.00 0.00 0.00 53.44 49.88 2rtf n ALA 63 Cb 0.21 -0.89 0.20 0.00 0.00 0.00 0.00 19.45 18.98 2rtf n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rtf n PRO 64 N 0.64 -2.01 -2.81 0.00 -0.04 -1.25 -4.94 135.00 124.59 2rtf n PRO 64 Ca 0.24 -0.57 -0.34 0.00 -0.04 0.00 0.00 63.50 62.79 2rtf n PRO 64 Cb 0.61 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 2rtf n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rtf s ALA 65 N -2.27 3.06 -0.35 0.55 0.00 -1.26 -4.91 121.76 116.57 2rtf s ALA 65 Ca 0.59 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 2rtf s ALA 65 Cb -0.15 -3.16 -0.23 0.00 0.00 0.00 0.00 23.12 19.58 2rtf s ALA 65 CO 0.65 0.12 3.48 0.25 0.00 0.00 0.00 175.76 180.27 2rtf n THR 66 N -0.48 3.29 -4.38 0.00 -2.24 -1.26 -4.59 114.28 104.62 2rtf n THR 66 Ca 0.06 -1.74 -0.22 0.00 -2.27 0.00 0.00 64.05 59.88 2rtf n THR 66 Cb 0.53 -2.13 -0.07 0.00 -2.10 0.00 0.00 70.33 66.56 2rtf n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rtf n ASP 67 N 2.72 0.19 -3.83 3.42 5.75 -1.26 -5.02 116.55 118.52 2rtf n ASP 67 Ca 0.51 -3.16 -0.42 0.00 -0.01 0.00 0.00 54.79 51.70 2rtf n ASP 67 Cb 0.77 1.36 0.00 0.00 -1.03 0.00 0.00 41.12 42.22 2rtf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rtf n GLY 68 N -0.71 4.22 3.43 6.12 0.00 -1.26 -4.86 105.19 112.13 2rtf n GLY 68 Ca 0.01 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 2rtf n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtf s SER 69 N 3.26 2.37 0.73 1.61 0.01 -1.26 -5.14 113.70 115.27 2rtf s SER 69 Ca 0.48 -1.32 -0.07 0.00 1.31 0.00 0.00 55.95 56.35 2rtf s SER 69 Cb 0.13 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.35 2rtf s SER 69 CO -0.07 -0.54 1.04 -0.83 0.41 0.00 0.00 173.24 173.25 2rtf s GLY 70 N -3.45 1.70 -0.25 3.44 0.00 -1.26 -4.30 107.32 103.19 2rtf s GLY 70 Ca 0.34 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 2rtf s GLY 70 CO 0.14 -0.55 0.11 -1.59 0.00 0.00 0.00 173.10 171.21 2rtf s THR 71 N -3.30 4.65 0.38 0.90 2.01 -0.71 -4.73 115.64 114.84 2rtf s THR 71 Ca 0.62 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 62.32 2rtf s THR 71 Cb -0.10 -3.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 2rtf s THR 71 CO 0.45 0.32 0.97 0.00 -0.69 0.00 0.00 174.62 175.68 2rtf s ALA 72 N 1.55 3.11 0.28 7.40 0.00 -1.26 -0.98 121.76 131.86 2rtf s ALA 72 Ca 0.06 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 2rtf s ALA 72 Cb -0.15 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2rtf s ALA 72 CO 0.06 0.05 0.74 -0.48 0.00 0.00 0.00 175.76 176.13 2rtf s LEU 73 N -2.63 -0.23 0.02 0.00 0.05 -0.83 -0.95 118.68 114.11 2rtf s LEU 73 Ca 0.57 -0.65 -0.28 0.00 0.05 0.00 0.00 54.13 53.82 2rtf s LEU 73 Cb -0.16 2.71 0.10 0.00 -2.05 0.00 0.00 46.19 46.79 2rtf s LEU 73 CO 0.21 -1.36 0.86 -0.83 -0.55 0.00 0.00 176.35 174.68 2rtf s GLY 74 N -2.94 -0.47 0.20 -3.48 0.00 -0.62 -1.60 107.32 98.42 2rtf s GLY 74 Ca 0.12 0.92 -0.21 0.00 0.00 0.00 0.00 44.72 45.55 2rtf s GLY 74 CO 0.07 0.30 0.60 0.66 0.00 0.00 0.00 173.10 174.73 2rtf s TRP 75 N -3.19 -0.33 0.07 1.90 -2.14 -0.65 -1.94 118.94 112.66 2rtf s TRP 75 Ca 0.05 0.02 0.06 0.00 2.66 0.00 0.00 56.10 58.89 2rtf s TRP 75 Cb -0.01 0.54 -0.03 0.00 -3.10 0.00 0.00 33.47 30.87 2rtf s TRP 75 CO -0.09 -0.96 -0.16 0.99 -2.66 0.00 0.00 176.95 174.07 2rtf s THR 76 N -3.83 1.29 -0.05 0.66 2.01 -0.35 -1.29 115.64 114.08 2rtf s THR 76 Ca 0.06 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.81 2rtf s THR 76 Cb -0.02 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.33 2rtf s THR 76 CO -0.05 -0.08 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.08 2rtf s VAL 77 N -1.08 0.39 -0.21 3.82 1.01 -0.83 -2.64 120.40 120.86 2rtf s VAL 77 Ca 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 2rtf s VAL 77 Cb -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2rtf s VAL 77 CO 0.02 0.21 0.09 0.00 0.00 0.00 0.00 175.10 175.42 2rtf s ALA 78 N 1.18 3.40 -1.10 5.51 0.00 -1.26 -0.72 121.76 128.78 2rtf s ALA 78 Ca -0.07 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 2rtf s ALA 78 Cb -0.14 -2.05 -0.14 0.00 0.00 0.00 0.00 23.12 20.80 2rtf s ALA 78 CO -0.02 -0.05 3.15 0.91 0.00 0.00 0.00 175.76 179.75 2rtf n TRP 79 N 4.01 1.66 -4.30 0.00 7.02 -0.34 -4.78 117.44 120.72 2rtf n TRP 79 Ca -0.16 -2.58 -0.20 0.00 -1.02 0.00 0.00 57.50 53.55 2rtf n TRP 79 Cb 0.52 -2.18 -0.16 0.00 -2.42 0.00 0.00 31.31 27.07 2rtf n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtf s LYS 80 N 1.64 0.85 0.08 -0.99 2.20 -1.26 -0.83 119.74 121.42 2rtf s LYS 80 Ca 0.68 -0.23 -0.02 0.00 -0.36 0.00 0.00 55.97 56.04 2rtf s LYS 80 Cb 0.23 -0.81 0.01 0.00 -1.51 0.00 0.00 37.83 35.75 2rtf s LYS 80 CO -0.05 0.06 0.13 0.27 -0.36 0.00 0.00 175.35 175.41 2rtf n ASN 81 N 3.44 -0.38 0.00 1.43 0.23 0.20 -4.82 115.26 115.36 2rtf n ASN 81 Ca -0.19 -1.36 0.11 0.00 -0.53 0.00 0.00 54.58 52.61 2rtf n ASN 81 Cb 0.54 0.66 0.68 0.00 -2.08 0.00 0.00 39.78 39.58 2rtf n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rtf n ASN 82 N -1.57 0.00 -0.08 0.53 3.02 -1.26 -3.68 115.26 112.21 2rtf n ASN 82 Ca -0.01 -0.74 -0.17 0.00 -0.03 0.00 0.00 54.58 53.63 2rtf n ASN 82 Cb 0.12 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 2rtf n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rtf n TYR 83 N -0.99 0.00 -4.08 3.10 4.01 -1.26 -5.07 117.16 112.86 2rtf n TYR 83 Ca 0.17 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2rtf n TYR 83 Cb 0.08 -0.60 -0.10 0.00 -0.31 0.00 0.00 39.34 38.41 2rtf n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rtf s ARG 84 N -2.31 0.59 -0.23 -0.72 0.52 -1.24 -5.08 118.95 110.48 2rtf s ARG 84 Ca -0.23 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 53.77 2rtf s ARG 84 Cb 0.09 0.18 0.08 0.00 0.52 0.00 0.00 34.95 35.82 2rtf s ARG 84 CO 0.30 -0.10 0.09 1.21 0.02 0.00 0.00 175.30 176.82 2rtf s ASN 85 N -2.79 3.05 0.00 0.23 3.84 -1.25 -0.63 114.94 117.39 2rtf s ASN 85 Ca 0.05 -0.99 0.25 0.00 0.21 0.00 0.00 52.86 52.38 2rtf s ASN 85 Cb 0.06 -0.45 0.50 0.00 -0.55 0.00 0.00 41.25 40.81 2rtf s ASN 85 CO -0.09 -0.37 1.43 0.00 -2.79 0.00 0.00 177.10 175.27 2rtf n ALA 86 N 5.15 2.67 -3.50 1.71 0.00 -0.01 -4.97 120.51 121.56 2rtf n ALA 86 Ca -0.07 -0.58 -0.19 0.00 0.00 0.00 0.00 53.44 52.60 2rtf n ALA 86 Cb 0.46 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 19.02 2rtf n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtf n HIS 87 N 0.65 -2.14 -3.88 0.00 8.25 -1.26 -4.85 115.22 111.99 2rtf n HIS 87 Ca 0.15 0.83 -0.08 0.00 -0.26 0.00 0.00 57.72 58.36 2rtf n HIS 87 Cb 0.48 -4.43 -0.03 0.00 1.12 0.00 0.00 29.99 27.13 2rtf n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2rtf s SER 88 N -4.01 -0.22 0.00 0.41 1.04 -1.26 -0.67 113.70 109.00 2rtf s SER 88 Ca 0.17 -0.68 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 2rtf s SER 88 Cb -0.04 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.77 2rtf s SER 88 CO 0.77 -1.26 0.24 0.00 0.98 0.00 0.00 173.24 173.98 2rtf s ALA 89 N -3.94 -0.58 0.04 5.32 0.00 -0.58 -1.19 121.76 120.82 2rtf s ALA 89 Ca 0.14 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.24 2rtf s ALA 89 Cb -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2rtf s ALA 89 CO 0.06 -0.27 -0.18 0.99 0.00 0.00 0.00 175.76 176.36 2rtf s THR 90 N -1.61 1.47 -0.01 0.00 2.01 0.10 -1.66 115.64 115.95 2rtf s THR 90 Ca -0.12 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 60.84 2rtf s THR 90 Cb -0.05 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 2rtf s THR 90 CO 0.02 0.17 -0.17 0.42 -0.69 0.00 0.00 174.62 174.36 2rtf s THR 91 N -0.77 1.34 -0.08 -0.82 -4.23 -0.62 -1.96 115.64 108.50 2rtf s THR 91 Ca 0.06 -0.76 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 2rtf s THR 91 Cb -0.08 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 2rtf s THR 91 CO 0.01 0.35 -0.23 0.26 -0.54 0.00 0.00 174.62 174.48 2rtf s TRP 92 N -0.44 2.55 -0.09 3.99 0.51 -0.41 -1.87 118.94 123.18 2rtf s TRP 92 Ca 0.06 -0.81 0.03 0.00 -2.12 0.00 0.00 56.10 53.25 2rtf s TRP 92 Cb -0.07 -1.68 0.01 0.00 -0.81 0.00 0.00 33.47 30.93 2rtf s TRP 92 CO -0.00 -0.28 -0.16 0.45 -0.51 0.00 0.00 176.95 176.45 2rtf s SER 93 N 0.07 2.29 0.00 2.95 0.15 -0.62 -1.64 113.70 116.90 2rtf s SER 93 Ca -0.10 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2rtf s SER 93 Cb -0.16 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2rtf s SER 93 CO 0.06 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2rtf n GLY 94 N 3.86 1.43 3.11 9.45 0.00 -0.62 -2.15 105.19 120.26 2rtf n GLY 94 Ca -0.21 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 2rtf n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rtf s GLN 95 N 1.59 0.55 -0.07 1.61 -2.07 -1.01 -1.96 119.66 118.29 2rtf s GLN 95 Ca 0.00 -0.65 -0.03 0.00 -1.82 0.00 0.00 55.36 52.86 2rtf s GLN 95 Cb 0.00 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2rtf s GLN 95 CO 0.00 -0.13 0.06 -0.47 -1.32 0.00 0.00 175.29 173.43 2rtf s TYR 96 N -2.22 3.31 -0.07 9.60 6.14 -0.15 -2.24 117.35 131.72 2rtf s TYR 96 Ca -0.08 0.28 0.01 0.00 0.64 0.00 0.00 57.07 57.92 2rtf s TYR 96 Cb -0.03 -1.81 0.02 0.00 0.42 0.00 0.00 41.96 40.55 2rtf s TYR 96 CO -0.03 0.56 -0.08 0.08 0.64 0.00 0.00 175.55 176.72 2rtf s VAL 97 N -1.01 0.88 0.01 3.14 1.01 0.27 -1.75 120.40 122.96 2rtf s VAL 97 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2rtf s VAL 97 Cb -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2rtf s VAL 97 CO 0.06 0.31 0.01 0.61 0.00 0.00 0.00 175.10 176.09 2rtf n GLY 98 N 4.24 2.37 0.00 4.51 0.00 -1.26 -0.63 105.19 114.42 2rtf n GLY 98 Ca -0.20 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.67 2rtf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rtf n GLY 99 N 4.88 0.54 0.29 -0.02 0.00 -1.26 -4.66 105.19 104.95 2rtf n GLY 99 Ca 0.00 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 2rtf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtf h ALA 100 N 0.00 -0.21 -3.33 4.61 0.00 -2.07 -3.32 119.26 114.94 2rtf h ALA 100 Ca 0.00 0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.27 2rtf h ALA 100 Cb 0.00 0.51 -0.33 0.00 0.00 0.00 0.00 17.79 17.98 2rtf h ALA 100 CO 0.00 -0.71 -0.63 -1.83 0.00 0.00 0.00 179.25 176.08 2rtf s GLU 101 N -6.06 2.29 0.13 0.00 4.04 -1.26 -5.08 118.70 112.75 2rtf s GLU 101 Ca -0.15 -1.46 -0.18 0.00 0.04 0.00 0.00 54.97 53.22 2rtf s GLU 101 Cb 0.11 -3.37 -0.07 0.00 0.02 0.00 0.00 34.13 30.83 2rtf s GLU 101 CO 0.67 -0.79 0.60 0.00 -1.84 0.00 0.00 175.26 173.90 2rtf s ALA 102 N 1.23 3.55 0.03 -0.84 0.00 -1.25 -4.77 121.76 119.71 2rtf s ALA 102 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 2rtf s ALA 102 Cb -0.21 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2rtf s ALA 102 CO -0.02 0.40 0.01 1.03 0.00 0.00 0.00 175.76 177.18 2rtf s ARG 103 N -1.51 0.44 -0.23 0.00 0.52 0.20 -4.49 118.95 113.89 2rtf s ARG 103 Ca 0.34 -0.73 -0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2rtf s ARG 103 Cb -0.18 0.16 0.06 0.00 0.52 0.00 0.00 34.95 35.52 2rtf s ARG 103 CO 0.20 -0.09 -0.02 0.42 0.02 0.00 0.00 175.30 175.83 2rtf s ILE 104 N -2.13 1.24 -0.31 1.52 1.01 -0.88 -0.57 121.20 121.07 2rtf s ILE 104 Ca -0.09 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 2rtf s ILE 104 Cb -0.05 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2rtf s ILE 104 CO -0.03 -0.15 0.21 0.20 0.00 0.00 0.00 174.94 175.17 2rtf s ASN 105 N 1.52 5.99 0.36 3.58 -0.87 -0.95 -1.07 114.94 123.50 2rtf s ASN 105 Ca -0.04 -0.27 0.04 0.00 -1.57 0.00 0.00 52.86 51.02 2rtf s ASN 105 Cb -0.18 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.25 38.88 2rtf s ASN 105 CO -0.07 -0.16 0.07 0.42 -2.57 0.00 0.00 177.10 174.79 2rtf s THR 106 N 1.73 1.06 -0.01 1.60 -4.23 -0.32 -2.40 115.64 113.06 2rtf s THR 106 Ca 0.06 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2rtf s THR 106 Cb -0.17 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2rtf s THR 106 CO 0.10 0.00 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.02 2rtf s GLN 107 N -3.84 0.61 0.22 3.99 -0.21 -0.91 -2.28 119.66 117.24 2rtf s GLN 107 Ca 0.31 -0.22 0.05 0.00 0.02 0.00 0.00 55.36 55.53 2rtf s GLN 107 Cb 0.07 -0.60 -0.05 0.00 1.00 0.00 0.00 33.01 33.43 2rtf s GLN 107 CO 0.15 0.10 -0.07 1.67 -2.12 0.00 0.00 175.29 175.02 2rtf s TRP 108 N 0.05 1.64 -0.08 0.91 1.48 0.11 -1.59 118.94 121.47 2rtf s TRP 108 Ca -0.00 -0.76 0.01 0.00 -1.06 0.00 0.00 56.10 54.29 2rtf s TRP 108 Cb -0.05 -0.89 0.02 0.00 -1.16 0.00 0.00 33.47 31.39 2rtf s TRP 108 CO -0.00 0.15 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.44 2rtf s LEU 109 N -3.32 1.42 -0.22 -4.66 1.43 -0.78 -2.16 118.68 110.39 2rtf s LEU 109 Ca 0.25 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2rtf s LEU 109 Cb 0.03 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.51 2rtf s LEU 109 CO 0.08 -0.03 -0.11 -0.22 0.23 0.00 0.00 176.35 176.30 2rtf s LEU 110 N 1.07 2.85 -0.14 1.79 0.20 0.26 -1.59 118.68 123.11 2rtf s LEU 110 Ca -0.07 -0.79 -0.01 0.00 0.69 0.00 0.00 54.13 53.95 2rtf s LEU 110 Cb -0.14 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2rtf s LEU 110 CO -0.01 -0.08 -0.10 -0.89 -0.29 0.00 0.00 176.35 174.98 2rtf s THR 111 N 1.31 3.34 0.17 3.68 2.01 -0.66 -0.93 115.64 124.56 2rtf s THR 111 Ca 0.02 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.52 2rtf s THR 111 Cb -0.15 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2rtf s THR 111 CO -0.07 0.51 0.10 -0.44 -0.69 0.00 0.00 174.62 174.03 2rtf s SER 112 N 0.37 5.30 -0.07 3.53 0.01 -0.61 -1.53 113.70 120.70 2rtf s SER 112 Ca -0.08 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 56.69 2rtf s SER 112 Cb -0.15 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2rtf s SER 112 CO 0.05 0.07 0.90 -0.83 0.41 0.00 0.00 173.24 173.84 2rtf s GLY 113 N -3.07 2.55 0.46 3.44 0.00 0.16 -4.86 107.32 105.99 2rtf s GLY 113 Ca 0.30 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.37 2rtf s GLY 113 CO 0.22 1.64 0.11 -0.51 0.00 0.00 0.00 173.10 174.56 2rtf s THR 114 N 1.46 0.64 0.48 0.90 -4.23 -1.26 -5.02 115.64 108.60 2rtf s THR 114 Ca 0.45 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2rtf s THR 114 Cb -0.19 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2rtf s THR 114 CO 0.20 0.00 0.71 0.42 -0.54 0.00 0.00 174.62 175.42 2rtf s THR 115 N -3.09 3.87 0.34 3.99 -4.23 -1.26 -4.90 115.64 110.36 2rtf s THR 115 Ca 0.16 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.34 2rtf s THR 115 Cb 0.01 -3.45 0.33 0.00 1.34 0.00 0.00 72.50 70.72 2rtf s THR 115 CO 0.11 -0.34 1.82 -0.33 -0.54 0.00 0.00 174.62 175.34 2rtf h GLU 116 N 0.29 0.66 -0.96 3.99 4.39 -2.01 -1.44 114.58 119.50 2rtf h GLU 116 Ca -0.46 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.28 2rtf h GLU 116 Cb 1.26 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.69 2rtf h GLU 116 CO 0.58 0.44 0.62 0.00 -1.16 0.00 0.00 179.01 179.48 2rtf h ALA 117 N 1.61 1.49 -0.58 3.43 0.00 -2.06 -2.35 119.26 120.80 2rtf h ALA 117 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2rtf h ALA 117 Cb 0.91 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2rtf h ALA 117 CO -0.28 0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.41 2rtf n ASN 118 N -4.51 3.86 0.28 0.00 3.02 -0.62 -4.51 115.26 112.77 2rtf n ASN 118 Ca 0.15 -2.16 0.16 0.00 -0.03 0.00 0.00 54.58 52.70 2rtf n ASN 118 Cb 0.23 -0.44 0.80 0.00 -0.61 0.00 0.00 39.78 39.75 2rtf n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtf h ALA 119 N 3.47 1.12 0.00 5.41 0.00 -0.78 -2.73 119.26 125.76 2rtf h ALA 119 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2rtf h ALA 119 Cb 1.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2rtf h ALA 119 CO 0.07 0.09 -0.12 0.11 0.00 0.00 0.00 179.25 179.40 2rtf h TRP 120 N 0.00 0.00 -0.96 0.00 5.08 -1.79 -3.10 115.95 115.18 2rtf h TRP 120 Ca -0.00 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.39 2rtf h TRP 120 Cb 0.35 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 26.10 2rtf h TRP 120 CO 0.00 0.12 -0.61 0.36 -1.28 0.00 0.00 178.44 177.03 2rtf n LYS 121 N -3.45 3.48 0.03 0.12 2.85 -1.03 -4.71 118.16 115.46 2rtf n LYS 121 Ca -0.01 -4.15 0.11 0.00 -1.05 0.00 0.00 58.31 53.21 2rtf n LYS 121 Cb 0.28 -2.27 -0.04 0.00 -0.65 0.00 0.00 35.03 32.35 2rtf n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rtf n SER 122 N -0.68 0.52 -4.17 -5.58 3.41 -1.17 -4.92 113.62 101.03 2rtf n SER 122 Ca 0.45 -0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.67 2rtf n SER 122 Cb 0.86 1.05 -0.15 0.00 -0.26 0.00 0.00 64.21 65.71 2rtf n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rtf s THR 123 N -3.32 2.63 0.20 6.66 2.01 -1.26 -1.57 115.64 120.99 2rtf s THR 123 Ca -0.00 -1.06 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 2rtf s THR 123 Cb 0.13 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 2rtf s THR 123 CO 0.83 0.26 0.46 -0.76 -0.69 0.00 0.00 174.62 174.72 2rtf s LEU 124 N 1.30 4.19 0.04 4.42 1.43 -0.11 -4.89 118.68 125.06 2rtf s LEU 124 Ca 0.00 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 2rtf s LEU 124 Cb -0.16 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2rtf s LEU 124 CO -0.06 -0.04 -0.11 0.54 0.23 0.00 0.00 176.35 176.90 2rtf s VAL 125 N -1.81 0.86 0.08 -1.59 0.11 -1.26 -0.58 120.40 116.21 2rtf s VAL 125 Ca 0.43 -0.98 -0.04 0.00 -2.93 0.00 0.00 61.98 58.45 2rtf s VAL 125 Cb -0.11 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2rtf s VAL 125 CO 0.25 -0.14 0.22 0.61 -3.33 0.00 0.00 175.10 172.71 2rtf n GLY 126 N 1.79 1.51 2.94 6.54 0.00 -0.92 -4.98 105.19 112.06 2rtf n GLY 126 Ca -0.19 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2rtf n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtf s HIS 127 N -6.45 0.04 0.03 1.61 -3.43 -1.26 -0.71 115.29 105.12 2rtf s HIS 127 Ca 0.05 -0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.27 2rtf s HIS 127 Cb -0.01 -0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.08 2rtf s HIS 127 CO 0.02 -0.08 -0.11 -0.51 -2.00 0.00 0.00 174.74 172.07 2rtf s ASP 128 N -0.44 1.23 -0.08 7.38 1.01 -0.96 -4.96 116.67 119.85 2rtf s ASP 128 Ca -0.05 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.83 2rtf s ASP 128 Cb -0.03 -0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.85 2rtf s ASP 128 CO -0.00 -0.03 -0.18 -0.89 0.21 0.00 0.00 175.17 174.27 2rtf s THR 129 N -0.87 1.61 0.04 -1.27 2.01 -1.26 -1.18 115.64 114.71 2rtf s THR 129 Ca -0.02 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.28 2rtf s THR 129 Cb -0.07 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 2rtf s THR 129 CO 0.01 0.46 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.88 2rtf s PHE 130 N 0.39 2.63 0.18 4.92 0.40 -0.23 -3.21 117.98 123.05 2rtf s PHE 130 Ca -0.14 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2rtf s PHE 130 Cb -0.16 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2rtf s PHE 130 CO 0.06 0.29 0.11 0.95 0.70 0.00 0.00 175.22 177.33 2rtf s THR 131 N -0.96 0.04 -1.65 0.64 -4.23 -0.67 -2.07 115.64 106.74 2rtf s THR 131 Ca 0.16 -1.95 0.18 0.00 -1.18 0.00 0.00 61.69 58.90 2rtf s THR 131 Cb -0.11 -2.32 0.59 0.00 1.34 0.00 0.00 72.50 72.01 2rtf s THR 131 CO 0.06 -0.17 1.49 0.29 -0.54 0.00 0.00 174.62 175.75 2rtf n LYS 132 N -0.21 2.88 0.00 3.99 5.02 -1.26 -0.24 118.16 128.34 2rtf n LYS 132 Ca -0.01 -2.38 0.12 0.00 -2.02 0.00 0.00 58.31 54.02 2rtf n LYS 132 Cb 0.65 -1.64 0.11 0.00 -0.02 0.00 0.00 35.03 34.14 2rtf n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16