#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 1.36 -2.94 -0.61 2.04 -1.98 -3.46 117.51 111.92 1swr h ILE 17 Ca 0.00 -2.97 -0.54 0.00 1.00 0.00 0.00 64.86 62.35 1swr h ILE 17 Cb 0.00 2.86 0.08 0.00 -0.74 0.00 0.00 36.82 39.01 1swr h ILE 17 CO 0.00 0.86 0.89 0.41 0.00 0.00 0.00 178.15 180.31 1swr n THR 18 N -3.48 0.62 0.00 -0.27 -1.04 -1.26 -4.76 114.28 104.09 1swr n THR 18 Ca -0.11 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1swr n THR 18 Cb 1.03 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 2.81 0.86 3.39 3.41 0.00 0.24 -4.98 105.19 110.93 1swr n GLY 19 Ca 0.12 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.07 3.79 0.24 2.61 2.01 -1.26 -0.67 115.64 120.29 1swr s THR 20 Ca 0.00 -0.36 0.10 0.00 0.31 0.00 0.00 61.69 61.74 1swr s THR 20 Cb 0.00 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 1swr s THR 20 CO 0.00 0.41 -0.18 0.26 -0.69 0.00 0.00 174.62 174.42 1swr s TRP 21 N 1.30 2.03 0.00 4.92 0.52 0.48 -4.53 118.94 123.66 1swr s TRP 21 Ca 0.04 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.75 1swr s TRP 21 Cb -0.15 -0.90 -0.01 0.00 -1.15 0.00 0.00 33.47 31.26 1swr s TRP 21 CO 0.00 0.55 -0.08 0.71 0.02 0.00 0.00 176.95 178.15 1swr s TYR 22 N -2.69 0.73 0.60 -1.98 2.02 0.17 -1.78 117.35 114.42 1swr s TYR 22 Ca 0.26 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.85 1swr s TYR 22 Cb -0.03 -0.46 0.09 0.00 -0.40 0.00 0.00 41.96 41.16 1swr s TYR 22 CO 0.11 -0.01 0.82 0.54 -1.57 0.00 0.00 175.55 175.44 1swr s ASN 23 N -0.39 4.97 0.28 2.29 2.20 -1.07 -1.03 114.94 122.18 1swr s ASN 23 Ca 0.02 -0.71 0.18 0.00 -0.94 0.00 0.00 52.86 51.41 1swr s ASN 23 Cb -0.04 0.17 1.00 0.00 -2.00 0.00 0.00 41.25 40.37 1swr s ASN 23 CO -0.00 -1.42 1.55 0.00 -2.94 0.00 0.00 177.10 174.29 1swr n GLN 24 N -2.35 0.12 0.00 3.55 0.00 -1.04 -1.47 117.38 116.19 1swr n GLN 24 Ca 0.15 0.62 0.12 0.00 0.00 0.00 0.00 57.00 57.89 1swr n GLN 24 Cb 0.61 -1.91 0.19 0.00 0.00 0.00 0.00 30.24 29.13 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 -2.15 1.35 0.00 2.61 4.77 -1.26 -4.93 117.00 117.39 1swr n LEU 25 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1swr n LEU 25 Cb 0.05 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1swr n LEU 25 CO 0.08 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1swr n GLY 26 N 1.39 0.74 3.78 -0.72 0.00 -0.54 -4.71 105.19 105.14 1swr n GLY 26 Ca 0.10 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.07 5.55 -0.18 1.61 0.01 -1.26 -4.65 113.70 112.71 1swr s SER 27 Ca 0.00 1.96 -0.02 0.00 1.31 0.00 0.00 55.95 59.20 1swr s SER 27 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1swr s SER 27 CO 0.00 -1.33 -0.11 -0.89 0.41 0.00 0.00 173.24 171.33 1swr s THR 28 N -2.25 2.97 -0.34 1.44 2.01 0.16 -2.61 115.64 117.02 1swr s THR 28 Ca 0.67 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1swr s THR 28 Cb -0.19 -2.30 0.08 0.00 0.01 0.00 0.00 72.50 70.10 1swr s THR 28 CO 0.36 0.48 0.06 0.12 -0.69 0.00 0.00 174.62 174.95 1swr s PHE 29 N 1.10 3.51 -0.28 4.92 5.36 -0.73 0.67 117.98 132.52 1swr s PHE 29 Ca 0.00 -2.42 -0.05 0.00 -0.96 0.00 0.00 56.93 53.51 1swr s PHE 29 Cb -0.14 -2.66 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 1swr s PHE 29 CO -0.03 -0.91 0.03 0.42 -1.46 0.00 0.00 175.22 173.28 1swr s ILE 30 N 1.10 3.55 0.11 3.12 1.01 -0.14 -0.39 121.20 129.55 1swr s ILE 30 Ca 0.03 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1swr s ILE 30 Cb -0.20 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1swr s ILE 30 CO -0.04 0.09 -0.18 -0.69 0.00 0.00 0.00 174.94 174.12 1swr s VAL 31 N 1.42 1.56 -0.19 2.92 1.01 0.16 -1.38 120.40 125.90 1swr s VAL 31 Ca 0.01 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1swr s VAL 31 Cb -0.17 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1swr s VAL 31 CO 0.00 -0.17 -0.10 -0.89 0.00 0.00 0.00 175.10 173.94 1swr s THR 32 N -1.42 1.57 -0.36 3.92 2.01 0.08 0.83 115.64 122.28 1swr s THR 32 Ca 0.06 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.90 1swr s THR 32 Cb -0.09 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.77 1swr s THR 32 CO 0.04 0.17 0.66 0.00 -0.69 0.00 0.00 174.62 174.80 1swr s ALA 33 N 1.43 3.45 0.44 7.40 0.00 -1.26 -1.70 121.76 131.52 1swr s ALA 33 Ca -0.01 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1swr s ALA 33 Cb -0.16 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1swr s ALA 33 CO -0.08 -1.37 0.83 0.20 0.00 0.00 0.00 175.76 175.34 1swr s GLY 34 N 1.80 1.93 0.55 0.00 0.00 0.88 -4.88 107.32 107.60 1swr s GLY 34 Ca 0.26 -0.13 0.36 0.00 0.00 0.00 0.00 44.72 45.20 1swr s GLY 34 CO 0.15 0.08 2.06 0.00 0.00 0.00 0.00 173.10 175.39 1swr h ALA 35 N 1.05 1.00 -0.01 3.20 0.00 -1.97 -1.81 119.26 120.72 1swr h ALA 35 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1swr h ALA 35 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1swr h ALA 35 CO 0.63 0.00 -0.06 -0.40 0.00 0.00 0.00 179.25 179.42 1swr n ASP 36 N -2.99 0.74 0.00 0.00 5.68 -1.26 -4.90 116.55 113.82 1swr n ASP 36 Ca -0.00 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 1swr n ASP 36 Cb 0.22 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1swr n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swr n GLY 37 N 1.19 0.72 3.73 6.12 0.00 -0.68 -4.96 105.19 111.32 1swr n GLY 37 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.15 3.34 -0.18 4.61 0.00 -1.25 -0.28 121.76 125.85 1swr s ALA 38 Ca 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 1swr s ALA 38 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1swr s ALA 38 CO 0.00 -0.21 -0.08 -0.51 0.00 0.00 0.00 175.76 174.96 1swr s LEU 39 N -0.04 2.84 0.02 0.00 1.02 -0.26 -0.08 118.68 122.17 1swr s LEU 39 Ca 0.50 -0.35 -0.02 0.00 0.02 0.00 0.00 54.13 54.28 1swr s LEU 39 Cb -0.28 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 1swr s LEU 39 CO 0.33 0.07 0.02 0.42 0.02 0.00 0.00 176.35 177.21 1swr s THR 40 N 0.93 0.12 -4.68 5.49 -4.23 -0.69 -0.73 115.64 111.85 1swr s THR 40 Ca -0.01 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1swr s THR 40 Cb -0.15 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.24 1swr s THR 40 CO 0.00 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1swr n GLY 41 N 1.38 -0.50 3.21 3.99 0.00 -1.21 -0.74 105.19 111.32 1swr n GLY 41 Ca -0.23 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 1swr n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swr s THR 42 N -3.33 1.14 -0.04 2.61 -4.23 -0.48 -1.44 115.64 109.87 1swr s THR 42 Ca 0.00 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1swr s THR 42 Cb 0.00 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 1swr s THR 42 CO 0.00 -0.46 -0.18 -0.47 -0.54 0.00 0.00 174.62 172.97 1swr s TYR 43 N -2.19 1.76 -0.21 3.99 5.04 0.76 -0.97 117.35 125.52 1swr s TYR 43 Ca 0.06 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.20 1swr s TYR 43 Cb -0.04 -1.18 0.05 0.00 0.35 0.00 0.00 41.96 41.14 1swr s TYR 43 CO 0.02 -0.17 -0.06 -2.00 -1.34 0.00 0.00 175.55 172.00 1swr s GLU 44 N 0.02 1.67 0.06 4.97 2.12 0.21 -0.31 118.70 127.44 1swr s GLU 44 Ca -0.04 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.17 1swr s GLU 44 Cb -0.12 -2.45 -0.06 0.00 0.26 0.00 0.00 34.13 31.77 1swr s GLU 44 CO 0.02 -0.53 0.79 0.45 -0.54 0.00 0.00 175.26 175.45 1swr s SER 45 N 1.44 7.25 0.28 -1.70 0.15 -1.26 0.39 113.70 120.25 1swr s SER 45 Ca -0.04 1.49 0.24 0.00 0.70 0.00 0.00 55.95 58.35 1swr s SER 45 Cb -0.18 -2.48 0.37 0.00 -1.71 0.00 0.00 66.02 62.02 1swr s SER 45 CO -0.07 0.01 1.48 0.00 1.20 0.00 0.00 173.24 175.86 1swr h ALA 46 N 5.62 0.82 -2.14 5.45 0.00 -1.84 -3.45 119.26 123.72 1swr h ALA 46 Ca -0.44 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.05 1swr h ALA 46 Cb 1.21 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 1swr h ALA 46 CO 0.71 0.00 -0.62 0.14 0.00 0.00 0.00 179.25 179.48 1swr s VAL 47 N -3.21 1.03 0.00 0.00 -7.23 -1.26 -5.04 120.40 104.69 1swr s VAL 47 Ca 0.06 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1swr s VAL 47 Cb 0.09 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1swr s VAL 47 CO 0.69 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 1swr n GLY 48 N -0.57 -1.77 3.00 2.32 0.00 -1.26 -4.60 105.19 102.31 1swr n GLY 48 Ca -0.02 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 0.40 5.11 -3.59 1.61 5.15 -1.26 -4.86 115.26 117.82 1swr n ASN 49 Ca 0.00 -3.08 -0.12 0.00 -0.60 0.00 0.00 54.58 50.78 1swr n ASN 49 Cb 0.00 -1.50 -0.06 0.00 -0.53 0.00 0.00 39.78 37.69 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 0.67 -1.89 -0.05 5.20 0.00 -1.26 -4.39 121.76 120.04 1swr s ALA 50 Ca 0.40 1.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.95 1swr s ALA 50 Cb 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1swr s ALA 50 CO 0.00 -0.30 0.22 -1.83 0.00 0.00 0.00 175.76 173.86 1swr s GLU 51 N -0.51 0.40 3.30 0.00 -1.05 -1.26 -4.92 118.70 114.65 1swr s GLU 51 Ca -0.02 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1swr s GLU 51 Cb -0.02 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1swr s GLU 51 CO 0.01 -0.08 0.00 0.45 0.95 0.00 0.00 175.26 176.59 1swr n SER 52 N 2.26 -1.01 -4.85 0.83 2.88 -1.26 -4.83 113.62 107.65 1swr n SER 52 Ca -0.17 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.00 1swr n SER 52 Cb 0.57 0.00 -0.06 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 3.69 0.08 -1.46 0.52 -1.26 -4.43 118.95 116.09 1swr s ARG 53 Ca 0.00 0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.35 1swr s ARG 53 Cb 0.00 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 1swr s ARG 53 CO 0.00 0.68 -0.25 0.71 0.02 0.00 0.00 175.30 176.47 1swr s TYR 54 N -0.85 2.13 0.23 -0.53 1.51 0.58 -4.88 117.35 115.54 1swr s TYR 54 Ca 0.17 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 1swr s TYR 54 Cb -0.13 -1.22 -0.09 0.00 -0.11 0.00 0.00 41.96 40.41 1swr s TYR 54 CO 0.06 0.19 1.23 0.08 -1.11 0.00 0.00 175.55 176.01 1swr s VAL 55 N -0.93 3.32 0.22 0.71 1.01 -1.26 -0.17 120.40 123.29 1swr s VAL 55 Ca 0.11 1.16 0.10 0.00 0.00 0.00 0.00 61.98 63.35 1swr s VAL 55 Cb -0.10 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1swr s VAL 55 CO 0.03 0.21 -0.19 -1.48 0.00 0.00 0.00 175.10 173.68 1swr s LEU 56 N -0.63 2.52 -0.04 3.92 0.05 -0.52 -4.47 118.68 119.50 1swr s LEU 56 Ca 0.52 -0.96 -0.14 0.00 0.05 0.00 0.00 54.13 53.60 1swr s LEU 56 Cb -0.35 -0.94 0.03 0.00 -2.05 0.00 0.00 46.19 42.88 1swr s LEU 56 CO 0.40 -0.02 0.32 0.28 -0.55 0.00 0.00 176.35 176.79 1swr s THR 57 N -2.36 0.04 0.00 5.48 -1.32 -0.96 -3.28 115.64 113.24 1swr s THR 57 Ca 0.23 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1swr s THR 57 Cb -0.05 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1swr s THR 57 CO 0.10 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1swr n GLY 58 N 1.69 2.55 3.13 6.08 0.00 0.09 -1.09 105.19 117.63 1swr n GLY 58 Ca -0.19 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.58 0.58 0.13 1.61 1.81 0.01 -1.10 118.95 121.41 1swr s ARG 59 Ca 0.00 -0.60 -0.06 0.00 -1.72 0.00 0.00 55.73 53.35 1swr s ARG 59 Cb 0.00 0.24 -0.02 0.00 -0.45 0.00 0.00 34.95 34.72 1swr s ARG 59 CO 0.00 -0.15 0.16 1.52 -0.68 0.00 0.00 175.30 176.15 1swr s TYR 60 N -2.18 0.50 -0.51 -0.53 1.13 0.62 -1.59 117.35 114.78 1swr s TYR 60 Ca -0.08 -0.90 -0.28 0.00 -1.41 0.00 0.00 57.07 54.40 1swr s TYR 60 Cb -0.03 -0.22 0.01 0.00 -1.10 0.00 0.00 41.96 40.61 1swr s TYR 60 CO -0.02 -0.58 1.48 0.34 -2.51 0.00 0.00 175.55 174.25 1swr s ASP 61 N -2.96 6.09 0.00 -0.18 2.15 -0.73 -4.60 116.67 116.44 1swr s ASP 61 Ca 0.15 0.48 0.23 0.00 0.43 0.00 0.00 52.55 53.85 1swr s ASP 61 Cb 0.05 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.32 1swr s ASP 61 CO -0.03 -1.70 1.77 -1.54 -0.17 0.00 0.00 175.17 173.50 1swr n SER 62 N 9.70 0.00 -3.37 -0.34 3.41 -1.26 -3.98 113.62 117.78 1swr n SER 62 Ca 0.15 -0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.44 1swr n SER 62 Cb 0.49 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.29 2.80 -1.66 7.33 0.00 -1.26 -5.04 120.51 121.39 1swr n ALA 63 Ca 0.11 -3.10 -0.31 0.00 0.00 0.00 0.00 53.44 50.14 1swr n ALA 63 Cb 0.19 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.00 3.15 1.07 0.00 0.04 -1.26 -5.02 135.00 132.98 1swr s PRO 64 Ca 0.33 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1swr s PRO 64 Cb 0.05 -2.02 0.23 0.00 0.04 0.00 0.00 34.50 32.80 1swr s PRO 64 CO -0.19 -0.93 1.06 0.00 0.04 0.00 0.00 177.00 176.98 1swr n ALA 65 N -2.96 -2.04 -0.83 8.56 0.00 -1.26 -4.95 120.51 117.02 1swr n ALA 65 Ca 0.07 -0.92 0.07 0.00 0.00 0.00 0.00 53.44 52.66 1swr n ALA 65 Cb 0.54 -2.08 0.09 0.00 0.00 0.00 0.00 19.45 18.00 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 -4.68 1.54 1.58 0.00 -2.24 -1.26 -4.52 114.28 104.70 1swr n THR 66 Ca 0.07 -1.80 0.06 0.00 -2.27 0.00 0.00 64.05 60.12 1swr n THR 66 Cb 0.53 0.01 0.28 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.10 0.79 0.00 3.42 5.68 -1.26 -4.84 116.55 119.23 1swr n ASP 67 Ca 0.11 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1swr n ASP 67 Cb 0.54 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1swr n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swr n GLY 68 N 0.85 0.74 3.73 6.12 0.00 -1.26 -5.06 105.19 110.31 1swr n GLY 68 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 4.48 0.93 1.61 0.01 -1.26 -5.03 113.70 111.83 1swr s SER 69 Ca 0.00 2.46 -0.11 0.00 1.31 0.00 0.00 55.95 59.61 1swr s SER 69 Cb 0.00 -2.60 0.18 0.00 0.21 0.00 0.00 66.02 63.81 1swr s SER 69 CO 0.00 -2.08 1.08 0.61 0.41 0.00 0.00 173.24 173.26 1swr n GLY 70 N 0.60 -0.95 3.44 3.44 0.00 -1.26 -4.82 105.19 105.63 1swr n GLY 70 Ca 0.14 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.30 4.90 0.23 2.61 2.01 -0.10 -4.78 115.64 117.21 1swr s THR 71 Ca 0.63 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1swr s THR 71 Cb -0.02 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1swr s THR 71 CO 0.44 -0.16 1.44 0.00 -0.69 0.00 0.00 174.62 175.65 1swr s ALA 72 N 1.63 3.64 0.26 7.40 0.00 -1.26 -0.39 121.76 133.04 1swr s ALA 72 Ca 0.04 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.23 1swr s ALA 72 Cb -0.18 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1swr s ALA 72 CO 0.08 -0.72 0.40 -0.48 0.00 0.00 0.00 175.76 175.04 1swr s LEU 73 N -0.06 0.67 -0.01 0.00 0.05 -0.57 -1.77 118.68 116.99 1swr s LEU 73 Ca 0.61 -1.17 -0.29 0.00 0.05 0.00 0.00 54.13 53.33 1swr s LEU 73 Cb -0.41 1.39 0.09 0.00 -2.05 0.00 0.00 46.19 45.21 1swr s LEU 73 CO 0.40 -1.12 0.75 -0.83 -0.55 0.00 0.00 176.35 175.01 1swr s GLY 74 N -3.11 -0.51 0.13 -3.48 0.00 -0.62 -1.94 107.32 97.79 1swr s GLY 74 Ca 0.28 1.21 -0.17 0.00 0.00 0.00 0.00 44.72 46.04 1swr s GLY 74 CO 0.13 0.68 0.42 0.66 0.00 0.00 0.00 173.10 174.98 1swr s TRP 75 N -2.10 -0.23 0.02 1.90 -2.14 -0.85 -0.81 118.94 114.73 1swr s TRP 75 Ca -0.04 -0.08 0.06 0.00 2.66 0.00 0.00 56.10 58.70 1swr s TRP 75 Cb -0.00 0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 30.63 1swr s TRP 75 CO -0.00 -0.72 -0.18 0.99 -2.66 0.00 0.00 176.95 174.39 1swr s THR 76 N -3.80 1.40 -0.12 0.66 2.01 -0.25 -0.69 115.64 114.85 1swr s THR 76 Ca 0.03 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1swr s THR 76 Cb 0.02 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1swr s THR 76 CO -0.12 0.25 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.27 1swr s VAL 77 N -0.62 1.18 -0.20 3.82 1.01 -0.17 -2.26 120.40 123.15 1swr s VAL 77 Ca 0.06 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 1swr s VAL 77 Cb -0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1swr s VAL 77 CO 0.01 0.39 0.76 0.00 0.00 0.00 0.00 175.10 176.26 1swr s ALA 78 N 1.56 3.57 -1.38 5.51 0.00 -1.26 0.33 121.76 130.09 1swr s ALA 78 Ca 0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 1swr s ALA 78 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1swr s ALA 78 CO -0.08 -0.71 2.86 0.91 0.00 0.00 0.00 175.76 178.74 1swr n TRP 79 N 5.42 2.25 -4.38 0.00 7.02 0.67 -4.77 117.44 123.65 1swr n TRP 79 Ca 0.03 -2.86 -0.20 0.00 -1.02 0.00 0.00 57.50 53.45 1swr n TRP 79 Cb 0.49 -2.21 -0.15 0.00 -2.42 0.00 0.00 31.31 27.01 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 1.04 0.92 0.00 -0.99 2.20 -1.26 -1.55 119.74 120.09 1swr s LYS 80 Ca 0.65 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1swr s LYS 80 Cb 0.20 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 1swr s LYS 80 CO -0.07 0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.31 1swr n ASN 81 N 3.26 0.00 0.28 1.43 0.23 -0.77 -4.75 115.26 114.93 1swr n ASN 81 Ca -0.18 -0.50 0.17 0.00 -0.53 0.00 0.00 54.58 53.55 1swr n ASN 81 Cb 0.55 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.95 1swr n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swr h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.96 -3.30 115.58 113.19 1swr h ASN 82 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1swr h ASN 82 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1swr h ASN 82 CO 0.00 0.01 -1.77 -1.22 -1.65 0.00 0.00 177.43 172.79 1swr n TYR 83 N -3.10 0.00 -3.61 1.19 4.01 -1.26 -5.05 117.16 109.34 1swr n TYR 83 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1swr n TYR 83 Cb 0.30 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 38.78 1swr n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1swr s ARG 84 N -2.59 1.00 -0.12 -0.72 3.52 -1.24 -5.09 118.95 113.71 1swr s ARG 84 Ca -0.06 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.20 1swr s ARG 84 Cb 0.06 0.45 0.05 0.00 -1.56 0.00 0.00 34.95 33.95 1swr s ARG 84 CO 0.55 -0.36 0.06 1.21 -0.81 0.00 0.00 175.30 175.95 1swr s ASN 85 N -2.04 1.91 0.00 -2.12 3.84 -1.26 -1.85 114.94 113.42 1swr s ASN 85 Ca -0.05 -0.34 0.28 0.00 0.21 0.00 0.00 52.86 52.96 1swr s ASN 85 Cb -0.01 -0.27 1.10 0.00 -0.55 0.00 0.00 41.25 41.53 1swr s ASN 85 CO -0.03 -0.29 1.80 0.00 -2.79 0.00 0.00 177.10 175.79 1swr n ALA 86 N 5.25 2.81 -3.65 1.71 0.00 -0.60 -4.95 120.51 121.07 1swr n ALA 86 Ca -0.06 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1swr n ALA 86 Cb 0.49 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.17 -1.97 -3.83 0.00 8.25 -1.26 -4.86 115.22 110.38 1swr n HIS 87 Ca 0.11 0.76 -0.09 0.00 -0.26 0.00 0.00 57.72 58.24 1swr n HIS 87 Cb 0.30 -4.14 -0.05 0.00 1.12 0.00 0.00 29.99 27.22 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 -4.06 -0.16 -0.08 0.41 1.04 -1.26 -0.51 113.70 109.07 1swr s SER 88 Ca 0.15 -0.64 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 1swr s SER 88 Cb -0.04 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1swr s SER 88 CO 0.82 -1.03 0.23 0.00 0.98 0.00 0.00 173.24 174.24 1swr s ALA 89 N -3.92 -0.58 -0.04 5.32 0.00 0.52 -0.23 121.76 122.83 1swr s ALA 89 Ca 0.13 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1swr s ALA 89 Cb -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1swr s ALA 89 CO -0.00 -0.12 -0.15 0.99 0.00 0.00 0.00 175.76 176.48 1swr s THR 90 N 0.01 3.03 -0.06 0.00 2.01 0.15 0.03 115.64 120.81 1swr s THR 90 Ca -0.01 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1swr s THR 90 Cb -0.02 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1swr s THR 90 CO 0.01 0.58 -0.22 0.42 -0.69 0.00 0.00 174.62 174.71 1swr s THR 91 N -0.74 1.87 -0.11 -0.82 -4.23 -0.04 -1.00 115.64 110.57 1swr s THR 91 Ca 0.12 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1swr s THR 91 Cb -0.11 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 1swr s THR 91 CO 0.01 0.52 -0.00 0.26 -0.54 0.00 0.00 174.62 174.87 1swr s TRP 92 N -0.01 3.14 -0.07 3.99 0.51 0.13 -1.52 118.94 125.10 1swr s TRP 92 Ca -0.06 0.09 0.02 0.00 -2.12 0.00 0.00 56.10 54.02 1swr s TRP 92 Cb -0.14 -1.85 0.02 0.00 -0.81 0.00 0.00 33.47 30.69 1swr s TRP 92 CO 0.04 0.34 -0.11 0.45 -0.51 0.00 0.00 176.95 177.16 1swr s SER 93 N -0.53 1.74 0.00 2.95 0.15 0.27 -2.00 113.70 116.28 1swr s SER 93 Ca 0.09 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1swr s SER 93 Cb -0.12 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1swr s SER 93 CO 0.02 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1swr n GLY 94 N 4.00 1.36 3.14 9.45 0.00 -0.82 -0.44 105.19 121.87 1swr n GLY 94 Ca -0.22 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 2.56 0.51 -0.13 1.61 -2.07 0.10 -1.51 119.66 120.74 1swr s GLN 95 Ca 0.00 -0.32 -0.26 0.00 -1.82 0.00 0.00 55.36 52.96 1swr s GLN 95 Cb 0.00 0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 32.12 1swr s GLN 95 CO 0.00 -0.13 0.85 -0.47 -1.32 0.00 0.00 175.29 174.23 1swr s TYR 96 N -1.30 3.48 -0.35 9.60 5.04 0.47 -1.19 117.35 133.11 1swr s TYR 96 Ca -0.14 1.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.86 1swr s TYR 96 Cb -0.07 -3.02 0.10 0.00 0.35 0.00 0.00 41.96 39.32 1swr s TYR 96 CO 0.02 -0.16 0.07 0.08 -1.34 0.00 0.00 175.55 174.22 1swr s VAL 97 N 1.80 2.57 0.57 3.14 1.01 0.90 -0.92 120.40 129.47 1swr s VAL 97 Ca 0.41 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.16 1swr s VAL 97 Cb -0.17 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.54 1swr s VAL 97 CO 0.16 -0.54 0.78 0.61 0.00 0.00 0.00 175.10 176.11 1swr n GLY 98 N 4.38 -0.87 0.00 4.51 0.00 -1.26 0.66 105.19 112.60 1swr n GLY 98 Ca -0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.27 0.49 0.11 -0.02 0.00 -1.26 -4.67 105.19 99.56 1swr n GLY 99 Ca 0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.40 -2.19 4.61 0.00 -2.06 -3.25 119.26 115.97 1swr h ALA 100 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 1swr h ALA 100 Cb 0.00 0.83 -0.23 0.00 0.00 0.00 0.00 17.79 18.39 1swr h ALA 100 CO 0.00 -0.46 0.03 -1.21 0.00 0.00 0.00 179.25 177.61 1swr s GLU 101 N -3.64 3.19 0.38 0.00 0.41 -1.26 -5.06 118.70 112.73 1swr s GLU 101 Ca -0.03 -1.77 -0.24 0.00 -0.41 0.00 0.00 54.97 52.52 1swr s GLU 101 Cb 0.02 -4.36 -0.10 0.00 -1.78 0.00 0.00 34.13 27.91 1swr s GLU 101 CO 0.15 -1.42 0.99 0.00 -0.49 0.00 0.00 175.26 174.49 1swr s ALA 102 N 1.68 3.11 0.03 5.21 0.00 -1.23 -4.71 121.76 125.84 1swr s ALA 102 Ca 0.11 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 1swr s ALA 102 Cb -0.22 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.73 1swr s ALA 102 CO 0.00 -0.01 0.46 -0.98 0.00 0.00 0.00 175.76 175.23 1swr s ARG 103 N -2.52 0.94 -0.23 0.00 3.03 0.21 -4.50 118.95 115.88 1swr s ARG 103 Ca 0.56 -0.23 -0.04 0.00 2.03 0.00 0.00 55.73 58.06 1swr s ARG 103 Cb -0.18 0.43 -0.00 0.00 -1.03 0.00 0.00 34.95 34.17 1swr s ARG 103 CO 0.23 -0.32 -0.04 0.42 -1.13 0.00 0.00 175.30 174.46 1swr s ILE 104 N -2.17 3.31 -0.24 4.99 1.01 -0.23 -0.07 121.20 127.79 1swr s ILE 104 Ca -0.07 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1swr s ILE 104 Cb -0.01 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1swr s ILE 104 CO 0.00 0.36 0.14 0.20 0.00 0.00 0.00 174.94 175.64 1swr s ASN 105 N 1.45 5.90 0.19 3.58 0.01 -0.33 -1.27 114.94 124.47 1swr s ASN 105 Ca 0.05 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.29 1swr s ASN 105 Cb -0.15 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 1swr s ASN 105 CO -0.03 0.04 -0.10 0.42 -1.51 0.00 0.00 177.10 175.91 1swr s THR 106 N 1.22 1.39 0.14 1.60 -4.23 -0.54 -0.72 115.64 114.50 1swr s THR 106 Ca 0.07 -2.12 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 1swr s THR 106 Cb -0.14 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1swr s THR 106 CO 0.05 -0.61 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.17 1swr s GLN 107 N -3.72 1.38 0.12 3.99 -0.21 0.41 -2.38 119.66 119.25 1swr s GLN 107 Ca 0.21 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.25 1swr s GLN 107 Cb 0.02 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 1swr s GLN 107 CO 0.05 0.41 -0.08 1.67 -2.12 0.00 0.00 175.29 175.22 1swr s TRP 108 N -1.26 1.02 -0.13 0.91 1.48 0.10 -0.57 118.94 120.50 1swr s TRP 108 Ca 0.15 -0.86 0.01 0.00 -1.06 0.00 0.00 56.10 54.34 1swr s TRP 108 Cb -0.09 -0.56 0.02 0.00 -1.16 0.00 0.00 33.47 31.67 1swr s TRP 108 CO 0.07 -0.07 -0.16 -0.51 -4.06 0.00 0.00 176.95 172.22 1swr s LEU 109 N -3.09 1.75 -0.28 -4.66 1.43 -0.58 -1.78 118.68 111.47 1swr s LEU 109 Ca 0.14 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1swr s LEU 109 Cb 0.04 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 45.15 1swr s LEU 109 CO -0.03 -0.00 -0.04 -0.22 0.23 0.00 0.00 176.35 176.30 1swr s LEU 110 N 1.13 3.67 -0.20 1.79 2.96 0.49 -0.86 118.68 127.67 1swr s LEU 110 Ca -0.03 -1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 52.57 1swr s LEU 110 Cb -0.14 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1swr s LEU 110 CO -0.05 -0.22 0.09 -0.89 -1.32 0.00 0.00 176.35 173.96 1swr s THR 111 N 1.23 4.95 -0.02 3.68 2.01 0.10 -0.83 115.64 126.77 1swr s THR 111 Ca -0.05 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1swr s THR 111 Cb -0.19 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1swr s THR 111 CO -0.03 0.43 0.15 -0.44 -0.69 0.00 0.00 174.62 174.05 1swr s SER 112 N 0.57 6.21 -0.09 3.53 0.01 -0.27 -0.36 113.70 123.30 1swr s SER 112 Ca 0.05 0.31 -0.29 0.00 1.31 0.00 0.00 55.95 57.33 1swr s SER 112 Cb -0.13 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 1swr s SER 112 CO 0.01 0.28 1.68 -0.83 0.41 0.00 0.00 173.24 174.79 1swr s GLY 113 N -1.78 1.42 0.26 3.44 0.00 0.33 -4.83 107.32 106.17 1swr s GLY 113 Ca 0.25 0.85 0.09 0.00 0.00 0.00 0.00 44.72 45.90 1swr s GLY 113 CO 0.16 3.08 -0.13 -0.51 0.00 0.00 0.00 173.10 175.71 1swr s THR 114 N 4.49 1.95 0.75 0.90 -4.23 -1.26 -4.99 115.64 113.26 1swr s THR 114 Ca 0.75 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 1swr s THR 114 Cb -0.32 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1swr s THR 114 CO 0.30 -0.41 1.12 0.42 -0.54 0.00 0.00 174.62 175.51 1swr s THR 115 N -2.83 3.01 0.29 3.99 -4.23 -1.26 -4.88 115.64 109.73 1swr s THR 115 Ca 0.28 0.33 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1swr s THR 115 Cb -0.00 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.85 1swr s THR 115 CO 0.12 -0.43 1.76 1.05 -0.54 0.00 0.00 174.62 176.58 1swr h GLU 116 N -0.86 0.67 -0.04 3.99 -0.00 -2.01 0.54 114.58 116.88 1swr h GLU 116 Ca -0.46 -0.04 0.01 0.00 -0.00 0.00 0.00 59.36 58.87 1swr h GLU 116 Cb 1.28 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1swr h GLU 116 CO 0.64 0.44 0.04 0.00 -0.00 0.00 0.00 179.01 180.13 1swr h ALA 117 N 1.64 1.76 -0.02 1.06 0.00 -2.06 -3.09 119.26 118.54 1swr h ALA 117 Ca 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1swr h ALA 117 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1swr h ALA 117 CO -0.40 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 178.89 1swr n ASN 118 N -4.11 1.62 0.08 0.00 3.02 0.13 -4.71 115.26 111.29 1swr n ASN 118 Ca -0.02 -1.32 0.16 0.00 -0.03 0.00 0.00 54.58 53.37 1swr n ASN 118 Cb 0.13 -0.01 0.67 0.00 -0.61 0.00 0.00 39.78 39.96 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 1.28 2.34 -0.06 5.41 0.00 -1.33 -0.46 119.26 126.43 1swr h ALA 119 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1swr h ALA 119 Cb 0.30 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1swr h ALA 119 CO 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 179.25 178.86 1swr h ALA 120 N 1.82 1.80 -0.48 0.00 0.00 -1.84 -1.77 119.26 118.79 1swr h ALA 120 Ca 0.17 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 1swr h ALA 120 Cb 0.69 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.27 1swr h ALA 120 CO -0.00 -0.08 -0.28 1.63 0.00 0.00 0.00 179.25 180.52 1swr n LYS 121 N -4.13 2.42 0.10 0.00 5.02 -0.18 -4.69 118.16 116.70 1swr n LYS 121 Ca -0.02 -3.53 -0.02 0.00 -2.02 0.00 0.00 58.31 52.73 1swr n LYS 121 Cb 0.15 -1.98 -0.00 0.00 -0.02 0.00 0.00 35.03 33.18 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 1.46 0.00 -3.15 4.39 4.64 -1.33 -3.46 113.55 116.10 1swr h SER 122 Ca 0.27 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.98 1swr h SER 122 Cb 1.43 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.16 1swr h SER 122 CO 0.57 0.75 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.55 1swr s THR 123 N -2.97 1.64 0.11 2.95 2.01 -1.26 -1.11 115.64 117.00 1swr s THR 123 Ca 0.02 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 1swr s THR 123 Cb 0.10 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 1swr s THR 123 CO 0.78 0.43 0.40 -0.76 -0.69 0.00 0.00 174.62 174.78 1swr s LEU 124 N 1.45 4.31 0.06 4.42 1.43 -0.01 -4.91 118.68 125.44 1swr s LEU 124 Ca 0.04 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 1swr s LEU 124 Cb -0.13 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1swr s LEU 124 CO -0.11 0.12 -0.17 0.54 0.23 0.00 0.00 176.35 176.97 1swr s VAL 125 N -1.49 1.36 0.03 -1.59 0.11 -1.26 -0.38 120.40 117.18 1swr s VAL 125 Ca 0.36 -1.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1swr s VAL 125 Cb -0.13 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.49 1swr s VAL 125 CO 0.20 -0.02 0.11 0.61 -3.33 0.00 0.00 175.10 172.67 1swr n GLY 126 N 1.58 1.53 2.87 6.54 0.00 -0.74 -4.98 105.19 111.99 1swr n GLY 126 Ca -0.19 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -6.81 -0.05 0.05 1.61 -3.43 -1.26 0.01 115.29 105.41 1swr s HIS 127 Ca 0.02 0.24 0.08 0.00 -0.80 0.00 0.00 55.06 54.60 1swr s HIS 127 Cb -0.00 -0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 31.01 1swr s HIS 127 CO 0.01 -0.09 -0.24 -0.51 -2.00 0.00 0.00 174.74 171.91 1swr s ASP 128 N 0.76 2.86 -0.16 7.38 1.01 -1.00 -4.97 116.67 122.56 1swr s ASP 128 Ca -0.06 -0.57 0.02 0.00 0.71 0.00 0.00 52.55 52.65 1swr s ASP 128 Cb -0.08 -0.25 0.01 0.00 1.01 0.00 0.00 42.92 43.61 1swr s ASP 128 CO -0.03 0.21 -0.21 -0.89 0.21 0.00 0.00 175.17 174.46 1swr s THR 129 N -0.81 2.08 -0.11 -1.27 2.01 -1.26 -1.46 115.64 114.82 1swr s THR 129 Ca 0.10 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1swr s THR 129 Cb -0.09 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1swr s THR 129 CO 0.02 0.54 0.02 -0.36 -0.69 0.00 0.00 174.62 174.15 1swr s PHE 130 N 1.02 3.20 0.21 4.92 0.40 -0.40 -2.50 117.98 124.84 1swr s PHE 130 Ca -0.02 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1swr s PHE 130 Cb -0.14 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 1swr s PHE 130 CO -0.07 0.41 0.07 0.95 0.70 0.00 0.00 175.22 177.28 1swr s THR 131 N -0.62 0.48 -1.31 0.64 -4.23 -0.20 -1.07 115.64 109.34 1swr s THR 131 Ca 0.10 -1.99 0.28 0.00 -1.18 0.00 0.00 61.69 58.90 1swr s THR 131 Cb -0.12 -2.40 0.26 0.00 1.34 0.00 0.00 72.50 71.58 1swr s THR 131 CO 0.02 -0.19 1.73 0.29 -0.54 0.00 0.00 174.62 175.93 1swr n LYS 132 N -0.33 0.33 0.00 3.99 5.02 -1.26 0.43 118.16 126.33 1swr n LYS 132 Ca -0.02 -0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1swr n LYS 132 Cb 0.65 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.28 1swr n LYS 132 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43