#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swr h ILE 17 N 0.00 1.33 -2.34 -0.61 2.04 -1.98 -3.46 117.51 112.49 1swr h ILE 17 Ca 0.00 -2.74 -0.58 0.00 1.00 0.00 0.00 64.86 62.54 1swr h ILE 17 Cb 0.00 2.96 0.06 0.00 -0.74 0.00 0.00 36.82 39.10 1swr h ILE 17 CO 0.00 0.82 0.78 0.41 0.00 0.00 0.00 178.15 180.15 1swr n THR 18 N -3.69 0.13 -0.33 -0.27 -1.04 -1.26 -4.77 114.28 103.05 1swr n THR 18 Ca -0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1swr n THR 18 Cb 1.07 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1swr n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swr n GLY 19 N 3.24 0.81 3.50 3.41 0.00 0.59 -5.01 105.19 111.73 1swr n GLY 19 Ca 0.16 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1swr n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swr s THR 20 N -3.14 3.76 0.06 2.61 2.01 -1.26 -2.07 115.64 117.60 1swr s THR 20 Ca 0.00 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1swr s THR 20 Cb 0.00 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1swr s THR 20 CO 0.00 0.52 -0.13 0.26 -0.69 0.00 0.00 174.62 174.58 1swr s TRP 21 N 0.11 1.10 -0.02 4.92 0.52 0.54 -4.67 118.94 121.44 1swr s TRP 21 Ca -0.02 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 55.73 1swr s TRP 21 Cb -0.14 -0.63 -0.01 0.00 -1.15 0.00 0.00 33.47 31.54 1swr s TRP 21 CO 0.03 0.02 -0.17 0.71 0.02 0.00 0.00 176.95 177.57 1swr s TYR 22 N -1.14 1.54 0.40 -1.98 2.02 0.15 -0.36 117.35 117.97 1swr s TYR 22 Ca -0.02 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 1swr s TYR 22 Cb -0.09 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.52 1swr s TYR 22 CO 0.02 -0.07 0.50 0.27 -1.57 0.00 0.00 175.55 174.70 1swr n ASN 23 N 2.82 1.60 0.01 2.29 0.23 -0.85 -1.08 115.26 120.28 1swr n ASN 23 Ca -0.16 -2.11 0.06 0.00 -0.53 0.00 0.00 54.58 51.84 1swr n ASN 23 Cb 0.54 -0.24 0.26 0.00 -2.08 0.00 0.00 39.78 38.26 1swr n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swr n GLN 24 N -1.78 0.01 0.00 -3.83 0.00 -1.19 -2.01 117.38 108.58 1swr n GLN 24 Ca 0.09 0.31 0.12 0.00 0.00 0.00 0.00 57.00 57.52 1swr n GLN 24 Cb 0.42 -1.52 0.22 0.00 0.00 0.00 0.00 30.24 29.35 1swr n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swr n LEU 25 N -1.54 1.38 0.00 2.61 4.77 -1.26 -4.93 117.00 118.02 1swr n LEU 25 Ca 0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1swr n LEU 25 Cb 0.14 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1swr n LEU 25 CO 0.11 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1swr n GLY 26 N 1.38 0.75 3.85 -0.72 0.00 -0.85 -4.72 105.19 104.88 1swr n GLY 26 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1swr n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swr s SER 27 N -2.50 5.98 -0.17 1.61 0.01 -1.26 -4.64 113.70 112.73 1swr s SER 27 Ca 0.00 1.52 0.01 0.00 1.31 0.00 0.00 55.95 58.79 1swr s SER 27 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1swr s SER 27 CO 0.00 -1.04 -0.20 -0.89 0.41 0.00 0.00 173.24 171.52 1swr s THR 28 N -3.04 2.05 -0.31 1.44 2.01 -0.10 -2.01 115.64 115.68 1swr s THR 28 Ca 0.57 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 1swr s THR 28 Cb -0.12 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.59 1swr s THR 28 CO 0.51 0.54 0.04 0.12 -0.69 0.00 0.00 174.62 175.14 1swr s PHE 29 N 1.17 3.24 -0.30 4.92 5.36 0.51 -1.28 117.98 131.59 1swr s PHE 29 Ca 0.02 -1.61 -0.05 0.00 -0.96 0.00 0.00 56.93 54.33 1swr s PHE 29 Cb -0.14 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1swr s PHE 29 CO -0.10 -0.75 0.05 0.42 -1.46 0.00 0.00 175.22 173.38 1swr s ILE 30 N 1.33 3.58 0.01 3.12 1.01 -0.10 -0.34 121.20 129.82 1swr s ILE 30 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1swr s ILE 30 Cb -0.19 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1swr s ILE 30 CO 0.01 -0.03 -0.04 0.54 0.00 0.00 0.00 174.94 175.42 1swr s VAL 31 N 1.40 0.29 -0.06 2.92 0.11 -0.88 0.75 120.40 124.92 1swr s VAL 31 Ca -0.01 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.55 1swr s VAL 31 Cb -0.18 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1swr s VAL 31 CO 0.01 -0.17 -0.24 0.42 -3.33 0.00 0.00 175.10 171.78 1swr s THR 32 N -0.72 1.99 -0.44 5.04 -4.23 0.54 -0.30 115.64 117.52 1swr s THR 32 Ca -0.05 -1.03 -0.20 0.00 -1.18 0.00 0.00 61.69 59.23 1swr s THR 32 Cb -0.05 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.13 1swr s THR 32 CO -0.00 0.55 0.59 0.00 -0.54 0.00 0.00 174.62 175.22 1swr s ALA 33 N -0.10 3.37 0.70 3.99 0.00 -1.26 -1.29 121.76 127.16 1swr s ALA 33 Ca -0.05 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1swr s ALA 33 Cb -0.14 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1swr s ALA 33 CO 0.04 -1.77 1.06 0.20 0.00 0.00 0.00 175.76 175.29 1swr s GLY 34 N 2.05 1.66 0.26 0.00 0.00 0.11 -4.91 107.32 106.50 1swr s GLY 34 Ca 0.19 0.03 0.25 0.00 0.00 0.00 0.00 44.72 45.20 1swr s GLY 34 CO 0.17 0.35 1.74 0.00 0.00 0.00 0.00 173.10 175.36 1swr h ALA 35 N -0.71 1.00 0.00 3.20 0.00 -1.98 -2.38 119.26 118.39 1swr h ALA 35 Ca -0.44 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1swr h ALA 35 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1swr h ALA 35 CO 0.58 0.00 -0.14 0.38 0.00 0.00 0.00 179.25 180.07 1swr h ASP 36 N 0.00 0.00 0.00 0.00 2.03 -1.98 -3.47 116.42 113.00 1swr h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1swr h ASP 36 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1swr h ASP 36 CO 0.00 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.96 1swr n GLY 37 N 0.09 1.15 3.75 7.15 0.00 -0.89 -4.88 105.19 111.55 1swr n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1swr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swr s ALA 38 N -2.00 3.34 -0.16 4.61 0.00 -1.25 -1.11 121.76 125.19 1swr s ALA 38 Ca 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 1swr s ALA 38 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1swr s ALA 38 CO 0.00 0.21 -0.09 -0.51 0.00 0.00 0.00 175.76 175.37 1swr s LEU 39 N -1.14 2.87 0.05 0.00 1.02 -0.31 0.08 118.68 121.25 1swr s LEU 39 Ca 0.41 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.27 1swr s LEU 39 Cb -0.26 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 1swr s LEU 39 CO 0.32 0.11 -0.09 0.42 0.02 0.00 0.00 176.35 177.13 1swr s THR 40 N 0.71 0.65 -3.61 5.49 -4.23 -0.41 -1.63 115.64 112.62 1swr s THR 40 Ca -0.04 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1swr s THR 40 Cb -0.15 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1swr s THR 40 CO 0.02 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1swr n GLY 41 N 1.24 -0.58 3.07 3.99 0.00 -1.06 -0.34 105.19 111.51 1swr n GLY 41 Ca -0.21 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1swr n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1swr s THR 42 N -4.00 -0.01 -0.05 2.61 -1.32 0.23 -1.30 115.64 111.80 1swr s THR 42 Ca 0.00 0.03 0.04 0.00 -1.21 0.00 0.00 61.69 60.55 1swr s THR 42 Cb 0.00 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.70 1swr s THR 42 CO 0.00 0.01 -0.16 -0.47 -2.21 0.00 0.00 174.62 171.79 1swr s TYR 43 N 0.33 1.70 -0.24 9.09 6.14 -0.36 -0.92 117.35 133.08 1swr s TYR 43 Ca -0.02 -0.53 0.01 0.00 0.64 0.00 0.00 57.07 57.17 1swr s TYR 43 Cb -0.03 -1.16 0.06 0.00 0.42 0.00 0.00 41.96 41.25 1swr s TYR 43 CO -0.01 -0.20 -0.04 -2.00 0.64 0.00 0.00 175.55 173.93 1swr s GLU 44 N 0.19 1.56 -0.00 4.97 2.12 -0.41 -0.74 118.70 126.39 1swr s GLU 44 Ca -0.07 -1.01 -0.22 0.00 0.36 0.00 0.00 54.97 54.02 1swr s GLU 44 Cb -0.13 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1swr s GLU 44 CO 0.03 -0.63 0.66 0.45 -0.54 0.00 0.00 175.26 175.23 1swr s SER 45 N 1.39 7.04 0.51 -1.70 0.15 -1.26 -0.92 113.70 118.92 1swr s SER 45 Ca -0.05 1.24 0.30 0.00 0.70 0.00 0.00 55.95 58.15 1swr s SER 45 Cb -0.19 -2.40 1.14 0.00 -1.71 0.00 0.00 66.02 62.87 1swr s SER 45 CO -0.07 0.04 1.90 0.00 1.20 0.00 0.00 173.24 176.32 1swr h ALA 46 N 5.84 1.00 -2.53 5.45 0.00 -1.84 -3.43 119.26 123.75 1swr h ALA 46 Ca -0.44 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1swr h ALA 46 Cb 1.20 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 1swr h ALA 46 CO 0.71 0.07 -0.55 0.14 0.00 0.00 0.00 179.25 179.62 1swr s VAL 47 N -3.61 0.15 0.00 0.00 -7.23 -1.26 -5.01 120.40 103.44 1swr s VAL 47 Ca 0.02 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1swr s VAL 47 Cb 0.09 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1swr s VAL 47 CO 0.58 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1swr n GLY 48 N 0.57 -2.87 2.87 2.32 0.00 -1.26 -4.57 105.19 102.25 1swr n GLY 48 Ca -0.18 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1swr n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swr n ASN 49 N -0.23 3.61 -3.69 1.61 5.15 -1.26 -4.78 115.26 115.68 1swr n ASN 49 Ca 0.00 -2.81 -0.11 0.00 -0.60 0.00 0.00 54.58 51.06 1swr n ASN 49 Cb 0.00 -1.54 -0.06 0.00 -0.53 0.00 0.00 39.78 37.65 1swr n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1swr s ALA 50 N 3.78 -0.82 -0.28 5.20 0.00 -1.26 -4.46 121.76 123.92 1swr s ALA 50 Ca 0.50 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 1swr s ALA 50 Cb 0.13 0.51 0.11 0.00 0.00 0.00 0.00 23.12 23.87 1swr s ALA 50 CO -0.03 -0.54 0.92 -1.83 0.00 0.00 0.00 175.76 174.28 1swr s GLU 51 N -3.24 0.60 2.37 0.00 -1.05 -1.26 -4.93 118.70 111.20 1swr s GLU 51 Ca -0.00 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 1swr s GLU 51 Cb 0.01 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1swr s GLU 51 CO -0.08 -0.08 0.00 0.45 0.95 0.00 0.00 175.26 176.50 1swr n SER 52 N 2.59 -0.50 -4.88 0.83 2.88 -1.26 -4.81 113.62 108.46 1swr n SER 52 Ca -0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 1swr n SER 52 Cb 0.56 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.97 1swr n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swr s ARG 53 N 0.00 3.64 0.02 -1.46 1.81 -1.26 -4.47 118.95 117.24 1swr s ARG 53 Ca 0.00 -0.01 0.07 0.00 -1.72 0.00 0.00 55.73 54.07 1swr s ARG 53 Cb 0.00 -3.02 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 1swr s ARG 53 CO 0.00 0.59 -0.21 0.71 -0.68 0.00 0.00 175.30 175.71 1swr s TYR 54 N -1.39 1.85 0.21 -0.53 1.51 0.09 -4.84 117.35 114.24 1swr s TYR 54 Ca 0.32 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 1swr s TYR 54 Cb -0.13 -1.13 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1swr s TYR 54 CO 0.18 0.05 1.30 0.08 -1.11 0.00 0.00 175.55 176.05 1swr s VAL 55 N -0.70 3.19 0.23 0.71 1.01 -1.26 -1.23 120.40 122.35 1swr s VAL 55 Ca 0.08 1.00 0.12 0.00 0.00 0.00 0.00 61.98 63.18 1swr s VAL 55 Cb -0.09 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1swr s VAL 55 CO 0.01 0.16 -0.22 -1.48 0.00 0.00 0.00 175.10 173.58 1swr s LEU 56 N -0.33 2.53 -0.02 3.92 0.05 -0.42 -4.44 118.68 119.97 1swr s LEU 56 Ca 0.55 -0.93 -0.14 0.00 0.05 0.00 0.00 54.13 53.67 1swr s LEU 56 Cb -0.36 -1.16 0.02 0.00 -2.05 0.00 0.00 46.19 42.64 1swr s LEU 56 CO 0.40 0.08 0.29 0.28 -0.55 0.00 0.00 176.35 176.85 1swr s THR 57 N -2.04 0.06 0.00 5.48 -1.32 -0.98 -2.57 115.64 114.27 1swr s THR 57 Ca 0.25 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1swr s THR 57 Cb -0.07 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1swr s THR 57 CO 0.12 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1swr n GLY 58 N 1.39 1.66 3.12 6.08 0.00 -0.64 -0.27 105.19 116.54 1swr n GLY 58 Ca -0.21 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1swr n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swr s ARG 59 N -0.97 0.58 0.05 1.61 1.81 -0.34 -1.16 118.95 120.52 1swr s ARG 59 Ca 0.00 -0.68 -0.12 0.00 -1.72 0.00 0.00 55.73 53.21 1swr s ARG 59 Cb 0.00 0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 1swr s ARG 59 CO 0.00 -0.15 0.27 1.52 -0.68 0.00 0.00 175.30 176.26 1swr s TYR 60 N -2.39 -0.04 -0.60 -0.53 1.13 -0.26 -0.74 117.35 113.91 1swr s TYR 60 Ca -0.07 -0.14 -0.27 0.00 -1.41 0.00 0.00 57.07 55.19 1swr s TYR 60 Cb -0.02 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.87 1swr s TYR 60 CO -0.03 -0.49 1.81 0.34 -2.51 0.00 0.00 175.55 174.66 1swr s ASP 61 N -2.13 5.40 -0.01 -0.18 2.15 -0.64 -4.58 116.67 116.67 1swr s ASP 61 Ca -0.04 0.36 0.03 0.00 0.43 0.00 0.00 52.55 53.33 1swr s ASP 61 Cb -0.01 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.20 1swr s ASP 61 CO -0.04 -2.27 0.98 -1.54 -0.17 0.00 0.00 175.17 172.12 1swr n SER 62 N 12.27 1.02 -2.90 -0.34 3.41 -1.26 -3.99 113.62 121.83 1swr n SER 62 Ca 0.19 -2.05 -0.13 0.00 -0.26 0.00 0.00 58.87 56.62 1swr n SER 62 Cb 0.51 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1swr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swr n ALA 63 N -0.06 -0.05 -1.68 7.33 0.00 -1.26 -5.04 120.51 119.75 1swr n ALA 63 Ca 0.04 -2.10 -0.29 0.00 0.00 0.00 0.00 53.44 51.09 1swr n ALA 63 Cb 0.20 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 18.60 1swr n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swr s PRO 64 N -0.03 1.95 0.85 0.00 0.04 -1.26 -5.01 135.00 131.54 1swr s PRO 64 Ca 0.33 0.40 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 1swr s PRO 64 Cb 0.22 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.94 1swr s PRO 64 CO -0.19 -1.66 1.13 0.00 0.04 0.00 0.00 177.00 176.32 1swr n ALA 65 N -3.42 -0.45 1.11 8.56 0.00 -1.26 -4.95 120.51 120.09 1swr n ALA 65 Ca 0.07 -0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.21 1swr n ALA 65 Cb 0.58 -2.20 0.22 0.00 0.00 0.00 0.00 19.45 18.05 1swr n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swr n THR 66 N -3.63 0.00 1.84 0.00 -2.24 -1.26 -4.26 114.28 104.73 1swr n THR 66 Ca 0.13 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1swr n THR 66 Cb 0.51 0.56 0.59 0.00 -2.10 0.00 0.00 70.33 69.89 1swr n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swr n ASP 67 N -0.91 0.36 0.00 3.42 5.75 -1.26 -4.85 116.55 119.06 1swr n ASP 67 Ca 0.09 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 1swr n ASP 67 Cb 0.36 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1swr n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swr n GLY 68 N 0.90 0.73 3.60 6.12 0.00 -1.26 -5.06 105.19 110.21 1swr n GLY 68 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1swr n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swr s SER 69 N -2.60 2.10 0.78 1.61 0.01 -1.26 -5.02 113.70 109.32 1swr s SER 69 Ca 0.00 1.87 -0.04 0.00 1.31 0.00 0.00 55.95 59.09 1swr s SER 69 Cb 0.00 -2.44 0.14 0.00 0.21 0.00 0.00 66.02 63.93 1swr s SER 69 CO 0.00 -3.56 0.94 0.61 0.41 0.00 0.00 173.24 171.63 1swr n GLY 70 N 0.40 0.02 3.55 3.44 0.00 -1.26 -4.88 105.19 106.45 1swr n GLY 70 Ca 0.08 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1swr n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swr s THR 71 N -2.87 5.21 0.37 2.61 2.01 0.92 -4.82 115.64 119.06 1swr s THR 71 Ca 0.59 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.33 1swr s THR 71 Cb -0.03 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1swr s THR 71 CO 0.40 -0.04 1.35 0.00 -0.69 0.00 0.00 174.62 175.64 1swr s ALA 72 N 1.93 3.44 0.20 7.40 0.00 -1.26 -0.61 121.76 132.86 1swr s ALA 72 Ca 0.10 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 1swr s ALA 72 Cb -0.17 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.49 1swr s ALA 72 CO 0.11 -0.81 0.73 -0.48 0.00 0.00 0.00 175.76 175.31 1swr s LEU 73 N -2.06 -0.36 0.05 0.00 2.34 -0.39 -1.62 118.68 116.63 1swr s LEU 73 Ca 0.52 -0.32 -0.27 0.00 0.06 0.00 0.00 54.13 54.13 1swr s LEU 73 Cb -0.41 2.55 0.07 0.00 -0.56 0.00 0.00 46.19 47.83 1swr s LEU 73 CO 0.54 -1.10 0.63 -0.83 -1.06 0.00 0.00 176.35 174.54 1swr s GLY 74 N -2.83 -0.58 0.12 -3.48 0.00 0.08 -1.52 107.32 99.12 1swr s GLY 74 Ca 0.07 0.87 -0.14 0.00 0.00 0.00 0.00 44.72 45.52 1swr s GLY 74 CO -0.02 0.53 0.36 0.66 0.00 0.00 0.00 173.10 174.63 1swr s TRP 75 N -2.47 -0.10 0.04 1.90 -2.14 -0.64 -1.20 118.94 114.33 1swr s TRP 75 Ca -0.05 -0.25 0.06 0.00 2.66 0.00 0.00 56.10 58.53 1swr s TRP 75 Cb -0.01 0.19 -0.02 0.00 -3.10 0.00 0.00 33.47 30.53 1swr s TRP 75 CO -0.02 -0.68 -0.19 0.99 -2.66 0.00 0.00 176.95 174.40 1swr s THR 76 N -3.83 1.50 -0.08 0.66 2.01 0.63 -1.71 115.64 114.82 1swr s THR 76 Ca 0.04 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1swr s THR 76 Cb 0.02 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.25 1swr s THR 76 CO -0.11 0.18 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.25 1swr s VAL 77 N -0.76 0.79 -0.06 3.82 1.01 -0.24 -2.31 120.40 122.65 1swr s VAL 77 Ca 0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 1swr s VAL 77 Cb -0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1swr s VAL 77 CO 0.01 0.31 0.37 0.00 0.00 0.00 0.00 175.10 175.79 1swr s ALA 78 N 1.47 3.67 -1.22 5.51 0.00 -1.26 -0.77 121.76 129.15 1swr s ALA 78 Ca -0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 1swr s ALA 78 Cb -0.13 -2.38 0.21 0.00 0.00 0.00 0.00 23.12 20.82 1swr s ALA 78 CO -0.04 0.36 1.79 0.91 0.00 0.00 0.00 175.76 178.79 1swr n TRP 79 N 2.39 2.70 -3.74 0.00 7.02 0.26 -4.82 117.44 121.25 1swr n TRP 79 Ca -0.13 -2.72 -0.16 0.00 -1.02 0.00 0.00 57.50 53.47 1swr n TRP 79 Cb 0.52 -1.73 -0.16 0.00 -2.42 0.00 0.00 31.31 27.52 1swr n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swr s LYS 80 N -0.66 -0.03 0.00 -0.99 2.20 -1.26 -0.61 119.74 118.39 1swr s LYS 80 Ca 0.38 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1swr s LYS 80 Cb 0.09 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1swr s LYS 80 CO 0.03 -0.22 0.00 0.27 -0.36 0.00 0.00 175.35 175.07 1swr n ASN 81 N 4.52 0.00 0.15 1.43 0.23 0.20 -4.78 115.26 117.02 1swr n ASN 81 Ca -0.21 -0.51 0.12 0.00 -0.53 0.00 0.00 54.58 53.45 1swr n ASN 81 Cb 0.50 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.73 1swr n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swr n ASN 82 N -1.47 0.67 -0.09 0.53 5.03 -1.26 -3.63 115.26 115.04 1swr n ASN 82 Ca 0.00 0.70 -0.13 0.00 0.87 0.00 0.00 54.58 56.02 1swr n ASN 82 Cb 0.00 -0.83 -0.05 0.00 -1.02 0.00 0.00 39.78 37.88 1swr n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swr n TYR 83 N -2.28 0.54 -4.33 3.10 4.02 -1.26 -5.03 117.16 111.91 1swr n TYR 83 Ca 0.01 0.24 -0.18 0.00 -0.01 0.00 0.00 57.90 57.95 1swr n TYR 83 Cb 0.18 -0.79 -0.09 0.00 -0.02 0.00 0.00 39.34 38.62 1swr n TYR 83 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1swr s ARG 84 N -2.50 1.55 -0.28 -0.72 1.70 -1.24 -5.12 118.95 112.34 1swr s ARG 84 Ca -0.25 -1.87 -0.03 0.00 -0.47 0.00 0.00 55.73 53.10 1swr s ARG 84 Cb 0.05 -0.15 0.11 0.00 -0.57 0.00 0.00 34.95 34.38 1swr s ARG 84 CO 0.39 -0.41 0.17 1.21 -1.08 0.00 0.00 175.30 175.58 1swr s ASN 85 N -3.36 2.92 0.00 -2.89 3.84 -1.25 -0.63 114.94 113.56 1swr s ASN 85 Ca 0.36 -1.07 0.18 0.00 0.21 0.00 0.00 52.86 52.54 1swr s ASN 85 Cb 0.06 -0.10 0.84 0.00 -0.55 0.00 0.00 41.25 41.49 1swr s ASN 85 CO 0.16 -0.42 1.57 0.00 -2.79 0.00 0.00 177.10 175.63 1swr n ALA 86 N 5.27 1.90 -3.64 1.71 0.00 0.22 -4.90 120.51 121.06 1swr n ALA 86 Ca -0.05 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 1swr n ALA 86 Cb 0.44 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.63 1swr n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swr n HIS 87 N -1.41 -1.98 -3.93 0.00 8.25 -1.26 -4.87 115.22 110.03 1swr n HIS 87 Ca 0.06 0.75 -0.08 0.00 -0.26 0.00 0.00 57.72 58.18 1swr n HIS 87 Cb 0.18 -4.11 -0.03 0.00 1.12 0.00 0.00 29.99 27.15 1swr n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swr s SER 88 N -4.02 -0.10 -0.06 0.41 1.04 -1.26 -1.78 113.70 107.93 1swr s SER 88 Ca 0.18 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 1swr s SER 88 Cb -0.05 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1swr s SER 88 CO 0.82 -1.28 0.21 0.00 0.98 0.00 0.00 173.24 173.96 1swr s ALA 89 N -3.78 -0.52 -0.03 5.32 0.00 -0.51 0.89 121.76 123.13 1swr s ALA 89 Ca 0.18 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1swr s ALA 89 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1swr s ALA 89 CO 0.09 -0.13 -0.16 0.99 0.00 0.00 0.00 175.76 176.55 1swr s THR 90 N -0.24 2.93 -0.09 0.00 2.01 0.05 -0.49 115.64 119.81 1swr s THR 90 Ca -0.03 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1swr s THR 90 Cb -0.03 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.34 1swr s THR 90 CO 0.01 0.54 -0.18 0.42 -0.69 0.00 0.00 174.62 174.72 1swr s THR 91 N -0.76 1.61 -0.15 -0.82 -4.23 0.30 -1.08 115.64 110.50 1swr s THR 91 Ca 0.12 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1swr s THR 91 Cb -0.11 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 1swr s THR 91 CO 0.01 0.46 0.02 0.26 -0.54 0.00 0.00 174.62 174.84 1swr s TRP 92 N 0.64 3.18 -0.14 3.99 0.51 -0.69 -0.85 118.94 125.57 1swr s TRP 92 Ca -0.14 -0.00 -0.00 0.00 -2.12 0.00 0.00 56.10 53.84 1swr s TRP 92 Cb -0.16 -1.98 0.03 0.00 -0.81 0.00 0.00 33.47 30.54 1swr s TRP 92 CO 0.04 0.17 -0.09 0.45 -0.51 0.00 0.00 176.95 177.01 1swr s SER 93 N 0.09 2.56 0.00 2.95 0.15 -0.34 -1.62 113.70 117.50 1swr s SER 93 Ca 0.03 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1swr s SER 93 Cb -0.13 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1swr s SER 93 CO 0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1swr n GLY 94 N 4.86 2.65 3.14 9.45 0.00 -0.57 -1.45 105.19 123.27 1swr n GLY 94 Ca -0.14 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1swr n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swr s GLN 95 N 1.20 0.45 0.04 1.61 -2.07 -0.60 -1.26 119.66 119.02 1swr s GLN 95 Ca 0.00 -0.09 -0.18 0.00 -1.82 0.00 0.00 55.36 53.27 1swr s GLN 95 Cb 0.00 0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 1swr s GLN 95 CO 0.00 -0.10 0.53 -0.47 -1.32 0.00 0.00 175.29 173.93 1swr s TYR 96 N -0.83 3.76 -0.10 9.60 5.04 0.22 -1.25 117.35 133.79 1swr s TYR 96 Ca -0.09 1.18 -0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1swr s TYR 96 Cb -0.05 -2.47 0.03 0.00 0.35 0.00 0.00 41.96 39.82 1swr s TYR 96 CO 0.02 0.55 -0.06 0.08 -1.34 0.00 0.00 175.55 174.80 1swr s VAL 97 N -0.89 0.86 0.95 3.14 1.01 0.14 -0.06 120.40 125.55 1swr s VAL 97 Ca 0.28 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1swr s VAL 97 Cb -0.18 -0.92 0.22 0.00 0.00 0.00 0.00 36.38 35.49 1swr s VAL 97 CO 0.17 0.34 1.30 0.61 0.00 0.00 0.00 175.10 177.52 1swr n GLY 98 N 4.99 -1.17 0.00 4.51 0.00 -1.26 -0.65 105.19 111.61 1swr n GLY 98 Ca -0.11 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1swr n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swr n GLY 99 N -3.68 0.89 0.35 -0.02 0.00 -1.26 -4.65 105.19 96.83 1swr n GLY 99 Ca 0.17 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.19 1swr n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swr h ALA 100 N 0.00 1.47 -3.33 4.61 0.00 -2.07 -3.23 119.26 116.72 1swr h ALA 100 Ca 0.00 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 54.19 1swr h ALA 100 Cb 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 17.79 17.12 1swr h ALA 100 CO 0.00 0.47 -0.57 -2.00 0.00 0.00 0.00 179.25 177.15 1swr s GLU 101 N -5.87 1.96 0.29 0.00 2.56 -1.26 -5.07 118.70 111.31 1swr s GLU 101 Ca -0.11 -2.09 -0.29 0.00 0.00 0.00 0.00 54.97 52.47 1swr s GLU 101 Cb 0.18 -3.47 -0.10 0.00 2.00 0.00 0.00 34.13 32.74 1swr s GLU 101 CO 0.79 -1.06 1.29 0.00 -0.56 0.00 0.00 175.26 175.72 1swr s ALA 102 N 0.63 3.50 0.02 6.30 0.00 -1.22 -4.83 121.76 126.16 1swr s ALA 102 Ca 0.12 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1swr s ALA 102 Cb -0.22 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1swr s ALA 102 CO -0.04 -0.56 -0.03 0.50 0.00 0.00 0.00 175.76 175.62 1swr s ARG 103 N -1.24 0.28 -0.23 0.00 3.52 0.17 -4.22 118.95 117.23 1swr s ARG 103 Ca 0.51 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1swr s ARG 103 Cb -0.38 -0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.04 1swr s ARG 103 CO 0.47 -0.01 -0.11 0.42 -0.81 0.00 0.00 175.30 175.26 1swr s ILE 104 N -0.99 1.93 -0.24 4.11 1.01 -0.11 0.23 121.20 127.14 1swr s ILE 104 Ca -0.10 -1.32 -0.13 0.00 0.00 0.00 0.00 60.65 59.11 1swr s ILE 104 Cb -0.07 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1swr s ILE 104 CO -0.00 0.10 0.27 0.20 0.00 0.00 0.00 174.94 175.50 1swr s ASN 105 N 1.24 6.23 0.15 3.58 0.01 -0.38 -0.44 114.94 125.33 1swr s ASN 105 Ca -0.04 0.25 0.04 0.00 -0.71 0.00 0.00 52.86 52.40 1swr s ASN 105 Cb -0.18 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1swr s ASN 105 CO -0.07 -0.03 -0.10 0.42 -1.51 0.00 0.00 177.10 175.81 1swr s THR 106 N 1.37 1.17 0.04 1.60 -4.23 -0.51 -1.55 115.64 113.52 1swr s THR 106 Ca 0.12 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1swr s THR 106 Cb -0.14 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1swr s THR 106 CO 0.07 -0.74 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.07 1swr s GLN 107 N -3.75 1.91 0.11 3.99 -1.52 -0.53 -2.22 119.66 117.66 1swr s GLN 107 Ca 0.17 -1.06 0.04 0.00 -1.95 0.00 0.00 55.36 52.56 1swr s GLN 107 Cb 0.03 -2.05 -0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1swr s GLN 107 CO 0.01 0.53 -0.10 1.67 -0.25 0.00 0.00 175.29 177.14 1swr s TRP 108 N -0.83 1.10 -0.14 0.91 1.48 0.18 -1.19 118.94 120.45 1swr s TRP 108 Ca 0.12 -0.70 0.02 0.00 -1.06 0.00 0.00 56.10 54.48 1swr s TRP 108 Cb -0.10 -0.59 0.02 0.00 -1.16 0.00 0.00 33.47 31.63 1swr s TRP 108 CO 0.03 0.01 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.24 1swr s LEU 109 N -2.68 1.91 -0.33 -4.66 1.43 -0.03 -1.66 118.68 112.66 1swr s LEU 109 Ca 0.09 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1swr s LEU 109 Cb -0.01 -1.29 0.07 0.00 0.03 0.00 0.00 46.19 45.00 1swr s LEU 109 CO -0.00 0.02 0.04 -0.22 0.23 0.00 0.00 176.35 176.42 1swr s LEU 110 N 1.06 4.28 -0.19 1.79 2.96 -0.31 -0.54 118.68 127.73 1swr s LEU 110 Ca -0.03 -1.58 -0.06 0.00 -0.22 0.00 0.00 54.13 52.24 1swr s LEU 110 Cb -0.14 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1swr s LEU 110 CO -0.05 -0.33 0.02 -0.89 -1.32 0.00 0.00 176.35 173.78 1swr s THR 111 N 1.16 4.31 -0.07 3.68 2.01 0.36 -0.81 115.64 126.29 1swr s THR 111 Ca -0.00 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1swr s THR 111 Cb -0.20 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1swr s THR 111 CO -0.03 0.45 0.22 -0.44 -0.69 0.00 0.00 174.62 174.12 1swr s SER 112 N 0.66 6.49 0.40 3.53 0.01 0.45 -1.43 113.70 123.81 1swr s SER 112 Ca 0.01 0.57 -0.26 0.00 1.31 0.00 0.00 55.95 57.58 1swr s SER 112 Cb -0.14 -2.10 -0.09 0.00 0.21 0.00 0.00 66.02 63.91 1swr s SER 112 CO 0.02 0.36 1.25 -0.83 0.41 0.00 0.00 173.24 174.44 1swr s GLY 113 N -1.22 2.91 0.11 3.44 0.00 -0.73 -4.82 107.32 107.01 1swr s GLY 113 Ca 0.20 1.12 -0.19 0.00 0.00 0.00 0.00 44.72 45.85 1swr s GLY 113 CO 0.09 1.68 0.48 -0.51 0.00 0.00 0.00 173.10 174.84 1swr s THR 114 N -1.32 0.04 0.76 0.90 -4.23 -1.26 -5.01 115.64 105.53 1swr s THR 114 Ca 0.57 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1swr s THR 114 Cb -0.35 -1.07 0.05 0.00 1.34 0.00 0.00 72.50 72.47 1swr s THR 114 CO 0.45 -0.19 1.10 0.42 -0.54 0.00 0.00 174.62 175.86 1swr s THR 115 N -3.42 3.20 0.30 3.99 -4.23 -1.26 -4.89 115.64 109.33 1swr s THR 115 Ca 0.00 0.39 0.36 0.00 -1.18 0.00 0.00 61.69 61.26 1swr s THR 115 Cb 0.00 -3.24 0.40 0.00 1.34 0.00 0.00 72.50 71.00 1swr s THR 115 CO -0.09 -0.51 2.10 -0.33 -0.54 0.00 0.00 174.62 175.25 1swr h GLU 116 N -0.92 0.00 -0.95 3.99 4.39 -2.02 -2.10 114.58 116.97 1swr h GLU 116 Ca -0.46 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.27 1swr h GLU 116 Cb 1.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 1swr h GLU 116 CO 0.61 0.02 0.62 0.00 -1.16 0.00 0.00 179.01 179.10 1swr h ALA 117 N 1.98 1.37 -0.41 3.43 0.00 -2.07 -2.40 119.26 121.17 1swr h ALA 117 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1swr h ALA 117 Cb 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1swr h ALA 117 CO 0.00 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1swr n ASN 118 N -4.42 4.59 0.29 0.00 3.02 -0.82 -4.51 115.26 113.41 1swr n ASN 118 Ca 0.12 -2.90 0.14 0.00 -0.03 0.00 0.00 54.58 51.91 1swr n ASN 118 Cb 0.07 -0.59 0.86 0.00 -0.61 0.00 0.00 39.78 39.51 1swr n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swr h ALA 119 N 2.78 1.53 0.00 5.41 0.00 -1.14 0.45 119.26 128.29 1swr h ALA 119 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1swr h ALA 119 Cb 1.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1swr h ALA 119 CO 0.31 0.03 -0.07 0.00 0.00 0.00 0.00 179.25 179.53 1swr h ALA 120 N 1.98 1.56 -0.52 0.00 0.00 -1.80 -1.53 119.26 118.94 1swr h ALA 120 Ca -0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1swr h ALA 120 Cb 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 1swr h ALA 120 CO 0.00 0.08 0.11 1.63 0.00 0.00 0.00 179.25 181.08 1swr n LYS 121 N -3.98 1.96 0.16 0.00 5.02 0.14 -4.65 118.16 116.82 1swr n LYS 121 Ca -0.03 -3.15 0.08 0.00 -2.02 0.00 0.00 58.31 53.20 1swr n LYS 121 Cb 0.16 -1.91 0.08 0.00 -0.02 0.00 0.00 35.03 33.33 1swr n LYS 121 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1swr h SER 122 N 1.02 0.00 -3.25 4.39 4.64 -1.25 -3.46 113.55 115.64 1swr h SER 122 Ca 0.33 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.05 1swr h SER 122 Cb 1.98 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.71 1swr h SER 122 CO 0.58 0.20 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.03 1swr s THR 123 N -3.13 1.57 0.12 2.95 2.01 -1.26 -0.41 115.64 117.50 1swr s THR 123 Ca 0.04 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.14 1swr s THR 123 Cb 0.07 -1.56 -0.07 0.00 0.01 0.00 0.00 72.50 70.95 1swr s THR 123 CO 0.72 0.32 0.50 -0.76 -0.69 0.00 0.00 174.62 174.71 1swr s LEU 124 N 1.46 4.34 0.06 4.42 1.43 0.01 -4.94 118.68 125.46 1swr s LEU 124 Ca 0.02 0.98 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 1swr s LEU 124 Cb -0.14 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1swr s LEU 124 CO -0.10 0.12 -0.22 0.54 0.23 0.00 0.00 176.35 176.92 1swr s VAL 125 N -1.45 1.82 0.22 -1.59 0.11 -1.26 -1.16 120.40 117.09 1swr s VAL 125 Ca 0.36 -1.33 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 1swr s VAL 125 Cb -0.15 -1.59 0.05 0.00 -1.53 0.00 0.00 36.38 33.17 1swr s VAL 125 CO 0.19 0.20 0.68 0.61 -3.33 0.00 0.00 175.10 173.44 1swr n GLY 126 N 1.66 1.02 2.84 6.54 0.00 -0.67 -4.98 105.19 111.61 1swr n GLY 126 Ca -0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 1swr n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swr s HIS 127 N -3.52 0.20 -0.02 1.61 -3.43 -1.26 0.49 115.29 109.36 1swr s HIS 127 Ca 0.14 0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.48 1swr s HIS 127 Cb -0.03 -0.25 -0.02 0.00 -1.43 0.00 0.00 32.58 30.85 1swr s HIS 127 CO 0.07 -0.07 -0.21 -0.51 -2.00 0.00 0.00 174.74 172.01 1swr s ASP 128 N 0.59 2.53 -0.19 7.38 1.01 -0.94 -4.99 116.67 122.05 1swr s ASP 128 Ca -0.05 -0.39 -0.01 0.00 0.71 0.00 0.00 52.55 52.80 1swr s ASP 128 Cb -0.08 -0.34 0.00 0.00 1.01 0.00 0.00 42.92 43.51 1swr s ASP 128 CO -0.01 0.25 -0.11 -0.89 0.21 0.00 0.00 175.17 174.62 1swr s THR 129 N -0.44 2.82 -0.06 -1.27 2.01 -1.26 -1.42 115.64 116.01 1swr s THR 129 Ca 0.07 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1swr s THR 129 Cb -0.09 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 1swr s THR 129 CO -0.00 0.48 0.25 -0.36 -0.69 0.00 0.00 174.62 174.29 1swr s PHE 130 N 1.27 3.64 0.14 4.92 0.40 0.42 -3.17 117.98 125.61 1swr s PHE 130 Ca 0.03 0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 56.99 1swr s PHE 130 Cb -0.14 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1swr s PHE 130 CO -0.06 0.69 0.20 -0.08 0.70 0.00 0.00 175.22 176.68 1swr s THR 131 N -1.08 0.09 -2.47 0.64 -1.32 -0.24 -0.94 115.64 110.33 1swr s THR 131 Ca 0.19 -1.52 0.28 0.00 -1.21 0.00 0.00 61.69 59.44 1swr s THR 131 Cb -0.14 -1.82 0.57 0.00 -1.51 0.00 0.00 72.50 69.60 1swr s THR 131 CO 0.09 -0.41 1.77 0.29 -2.21 0.00 0.00 174.62 174.15