#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1k s SER 3 N 0.00 -0.49 0.12 0.00 1.04 -1.26 -4.44 113.70 108.67 1g1k s SER 3 Ca 0.00 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.59 1g1k s SER 3 Cb 0.00 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 1g1k s SER 3 CO 0.00 -0.50 1.13 -0.22 0.98 0.00 0.00 173.24 174.63 1g1k s LEU 4 N -1.35 4.43 -0.26 2.42 2.96 -0.42 -4.76 118.68 121.70 1g1k s LEU 4 Ca -0.04 2.03 -0.08 0.00 -0.22 0.00 0.00 54.13 55.82 1g1k s LEU 4 Cb -0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1g1k s LEU 4 CO 0.03 -0.32 0.10 -0.54 -1.32 0.00 0.00 176.35 174.30 1g1k s LYS 5 N 0.28 3.70 -0.15 1.98 -0.14 -0.61 -0.09 119.74 124.71 1g1k s LYS 5 Ca 0.53 -0.46 0.02 0.00 -1.36 0.00 0.00 55.97 54.70 1g1k s LYS 5 Cb -0.29 -3.41 0.01 0.00 -1.68 0.00 0.00 37.83 32.46 1g1k s LYS 5 CO 0.32 -0.20 -0.20 0.08 -0.76 0.00 0.00 175.35 174.59 1g1k s VAL 6 N 1.65 2.17 -0.03 3.17 1.01 -0.19 -0.52 120.40 127.66 1g1k s VAL 6 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1g1k s VAL 6 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1g1k s VAL 6 CO 0.05 0.54 -0.11 -0.89 0.00 0.00 0.00 175.10 174.69 1g1k s THR 7 N 0.92 0.97 -0.08 3.92 2.01 -0.35 -1.45 115.64 121.58 1g1k s THR 7 Ca -0.04 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 1g1k s THR 7 Cb -0.15 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1g1k s THR 7 CO -0.04 0.29 0.38 -0.69 -0.69 0.00 0.00 174.62 173.88 1g1k s VAL 8 N 0.10 5.17 0.00 3.82 1.01 0.10 -0.66 120.40 129.94 1g1k s VAL 8 Ca -0.02 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1g1k s VAL 8 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1g1k s VAL 8 CO 0.01 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1g1k n GLY 9 N 2.69 -0.69 3.28 4.51 0.00 0.84 -3.31 105.19 112.51 1g1k n GLY 9 Ca -0.12 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1g1k n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g1k s THR 10 N -0.43 1.41 0.08 2.61 -4.23 -1.26 -2.09 115.64 111.73 1g1k s THR 10 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1g1k s THR 10 Cb 0.00 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1g1k s THR 10 CO 0.00 -0.59 0.20 0.00 -0.54 0.00 0.00 174.62 173.69 1g1k s ALA 11 N -2.82 -0.27 -0.01 3.99 0.00 -0.87 -4.88 121.76 116.90 1g1k s ALA 11 Ca 0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1g1k s ALA 11 Cb -0.01 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1g1k s ALA 11 CO 0.03 -0.48 0.03 1.21 0.00 0.00 0.00 175.76 176.55 1g1k s ASN 12 N -2.69 -0.03 0.14 0.00 2.47 -1.26 -0.72 114.94 112.86 1g1k s ASN 12 Ca 0.03 0.06 -0.24 0.00 0.42 0.00 0.00 52.86 53.13 1g1k s ASN 12 Cb 0.04 0.06 0.08 0.00 -1.45 0.00 0.00 41.25 39.97 1g1k s ASN 12 CO -0.10 -0.02 1.08 -0.83 -3.72 0.00 0.00 177.10 173.52 1g1k s GLY 13 N 0.06 0.01 0.12 1.21 0.00 0.13 -4.91 107.32 103.94 1g1k s GLY 13 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.57 1g1k s GLY 13 CO -0.00 2.45 0.13 0.54 0.00 0.00 0.00 173.10 176.22 1g1k s LYS 14 N -2.29 2.99 0.29 2.90 1.02 -1.26 -0.52 119.74 122.87 1g1k s LYS 14 Ca 0.21 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 55.18 1g1k s LYS 14 Cb -0.02 -2.75 -0.13 0.00 -0.52 0.00 0.00 37.83 34.42 1g1k s LYS 14 CO 0.04 0.54 1.26 -2.30 -0.92 0.00 0.00 175.35 173.96 1g1k n PRO 15 N 0.05 1.87 0.00 -1.68 -0.02 -1.26 -1.21 135.00 132.75 1g1k n PRO 15 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1g1k n PRO 15 Cb 0.53 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1g1k n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1k n GLY 16 N 1.37 3.37 3.82 -1.23 0.00 0.11 -4.96 105.19 107.67 1g1k n GLY 16 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1g1k n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g1k s ASP 17 N -0.50 5.85 -0.11 1.61 -0.00 -0.35 -4.72 116.67 118.44 1g1k s ASP 17 Ca 0.00 1.66 -0.00 0.00 -0.00 0.00 0.00 52.55 54.21 1g1k s ASP 17 Cb 0.00 -2.51 -0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1g1k s ASP 17 CO 0.00 -1.12 -0.11 -0.89 -0.00 0.00 0.00 175.17 173.05 1g1k s THR 18 N -2.77 3.28 0.23 -1.27 2.01 -1.26 -1.08 115.64 114.78 1g1k s THR 18 Ca 0.60 -0.60 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1g1k s THR 18 Cb -0.14 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1g1k s THR 18 CO 0.44 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.48 1g1k s VAL 19 N 0.05 1.66 -0.10 3.82 -7.23 -0.08 -4.95 120.40 113.57 1g1k s VAL 19 Ca -0.04 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 1g1k s VAL 19 Cb -0.14 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1g1k s VAL 19 CO 0.04 -0.47 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.36 1g1k s THR 20 N -3.01 3.28 -0.26 5.32 2.01 -1.26 -1.04 115.64 120.68 1g1k s THR 20 Ca 0.25 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1g1k s THR 20 Cb 0.01 -2.36 0.06 0.00 0.01 0.00 0.00 72.50 70.23 1g1k s THR 20 CO 0.09 0.55 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.80 1g1k s VAL 21 N -0.14 1.97 0.39 3.82 1.01 0.57 -4.69 120.40 123.32 1g1k s VAL 21 Ca 0.00 -1.55 -0.16 0.00 0.00 0.00 0.00 61.98 60.27 1g1k s VAL 21 Cb -0.13 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1g1k s VAL 21 CO 0.03 -0.09 0.83 -2.16 0.00 0.00 0.00 175.10 173.72 1g1k s PRO 22 N 1.18 4.04 -0.18 2.72 0.04 -1.26 -1.38 135.00 140.16 1g1k s PRO 22 Ca -0.07 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1g1k s PRO 22 Cb -0.20 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1g1k s PRO 22 CO -0.06 0.03 -0.17 0.08 0.04 0.00 0.00 177.00 176.92 1g1k s VAL 23 N -2.17 2.34 0.15 -0.36 1.01 0.09 -0.11 120.40 121.35 1g1k s VAL 23 Ca 0.57 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1g1k s VAL 23 Cb -0.10 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1g1k s VAL 23 CO 0.19 0.52 -0.13 0.42 0.00 0.00 0.00 175.10 176.10 1g1k s THR 24 N 1.24 3.07 -0.01 3.92 -4.23 0.16 -0.21 115.64 119.58 1g1k s THR 24 Ca 0.03 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 1g1k s THR 24 Cb -0.14 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1g1k s THR 24 CO -0.09 -0.02 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.50 1g1k s PHE 25 N -1.49 2.79 0.04 3.99 2.99 0.11 -1.21 117.98 125.20 1g1k s PHE 25 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 56.93 57.06 1g1k s PHE 25 Cb -0.09 -1.60 -0.03 0.00 0.00 0.00 0.00 43.02 41.30 1g1k s PHE 25 CO 0.13 0.31 -0.04 0.00 -0.00 0.00 0.00 175.22 175.62 1g1k s ALA 26 N -0.91 0.39 -1.51 5.36 0.00 0.33 -1.66 121.76 123.76 1g1k s ALA 26 Ca 0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1g1k s ALA 26 Cb -0.11 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1g1k s ALA 26 CO 0.05 -0.18 0.09 -0.25 0.00 0.00 0.00 175.76 175.47 1g1k n ASP 27 N 1.10 -5.30 0.18 0.00 8.00 -1.26 -1.58 116.55 117.70 1g1k n ASP 27 Ca -0.20 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.09 1g1k n ASP 27 Cb 0.57 -4.33 -0.08 0.00 -0.02 0.00 0.00 41.12 37.26 1g1k n ASP 27 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1g1k h VAL 28 N -0.20 0.71 -0.69 2.53 2.07 -1.88 -2.65 116.25 116.14 1g1k h VAL 28 Ca -0.43 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1g1k h VAL 28 Cb 1.32 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1g1k h VAL 28 CO 0.50 0.03 0.40 0.00 0.02 0.00 0.00 177.57 178.52 1g1k h ALA 29 N 0.20 0.93 -0.49 1.67 0.00 -1.92 0.22 119.26 119.86 1g1k h ALA 29 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1g1k h ALA 29 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1g1k h ALA 29 CO 0.07 0.11 0.35 0.87 0.00 0.00 0.00 179.25 180.65 1g1k h LYS 30 N 0.75 0.03 -0.61 0.00 1.57 -1.92 -1.25 116.57 115.14 1g1k h LYS 30 Ca 0.30 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1g1k h LYS 30 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1g1k h LYS 30 CO -0.16 0.02 0.00 -1.33 -0.57 0.00 0.00 179.45 177.40 1g1k n MET 31 N -4.40 4.20 -2.05 3.15 2.81 0.04 -4.91 117.12 115.96 1g1k n MET 31 Ca 0.09 -3.01 -0.12 0.00 -1.81 0.00 0.00 57.70 52.85 1g1k n MET 31 Cb 0.55 -2.05 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 1g1k n MET 31 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1g1k n LYS 32 N 0.88 -0.96 -0.83 0.03 5.02 -0.47 -4.75 118.16 117.07 1g1k n LYS 32 Ca 0.27 0.68 0.11 0.00 -2.02 0.00 0.00 58.31 57.34 1g1k n LYS 32 Cb 1.02 -4.83 -0.04 0.00 -0.02 0.00 0.00 35.03 31.16 1g1k n LYS 32 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1g1k n ASN 33 N -0.29 -4.95 -4.22 4.39 3.02 -1.07 -1.78 115.26 110.36 1g1k n ASN 33 Ca -0.14 0.52 -0.35 0.00 -0.03 0.00 0.00 54.58 54.57 1g1k n ASN 33 Cb 0.57 -2.62 -0.14 0.00 -0.61 0.00 0.00 39.78 36.98 1g1k n ASN 33 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g1k s VAL 34 N -2.44 3.10 -0.11 2.41 1.01 -1.08 -2.04 120.40 121.26 1g1k s VAL 34 Ca 0.00 -1.04 0.15 0.00 0.00 0.00 0.00 61.98 61.09 1g1k s VAL 34 Cb 0.00 -2.62 -0.21 0.00 0.00 0.00 0.00 36.38 33.54 1g1k s VAL 34 CO 0.00 0.11 0.16 0.61 0.00 0.00 0.00 175.10 175.99 1g1k n GLY 35 N 4.70 -0.76 3.40 4.51 0.00 -0.30 -0.74 105.19 115.99 1g1k n GLY 35 Ca -0.15 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1g1k n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g1k s THR 36 N -2.65 0.02 0.03 2.61 -4.23 -1.07 -0.56 115.64 109.79 1g1k s THR 36 Ca -0.07 -0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.00 1g1k s THR 36 Cb 0.07 -0.81 0.09 0.00 1.34 0.00 0.00 72.50 73.19 1g1k s THR 36 CO 0.65 -0.09 0.75 0.00 -0.54 0.00 0.00 174.62 175.39 1g1k s ASN 38 N -2.18 -0.96 0.29 0.00 3.04 -0.18 -1.10 114.94 113.85 1g1k s ASN 38 Ca -0.00 1.51 -0.15 0.00 0.04 0.00 0.00 52.86 54.25 1g1k s ASN 38 Cb -0.01 1.47 0.01 0.00 -1.54 0.00 0.00 41.25 41.19 1g1k s ASN 38 CO -0.06 -0.24 0.62 0.72 -3.04 0.00 0.00 177.10 175.10 1g1k s PHE 39 N 1.77 0.18 0.02 0.43 -0.12 -0.92 -0.17 117.98 119.16 1g1k s PHE 39 Ca -0.10 -0.61 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 1g1k s PHE 39 Cb -0.06 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.78 1g1k s PHE 39 CO -0.20 -1.19 -0.06 0.71 -0.05 0.00 0.00 175.22 174.44 1g1k s TYR 40 N -3.64 0.52 -0.01 3.49 1.51 -1.25 -1.24 117.35 116.73 1g1k s TYR 40 Ca 0.18 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 1g1k s TYR 40 Cb -0.03 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1g1k s TYR 40 CO 0.10 -0.05 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.76 1g1k s LEU 41 N -0.86 2.38 0.05 -1.29 1.43 -0.50 -0.97 118.68 118.92 1g1k s LEU 41 Ca -0.05 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1g1k s LEU 41 Cb -0.06 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1g1k s LEU 41 CO 0.00 0.31 0.06 -0.83 0.23 0.00 0.00 176.35 176.11 1g1k s GLY 42 N -0.90 1.99 0.05 -3.19 0.00 0.28 -0.89 107.32 104.66 1g1k s GLY 42 Ca 0.12 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 1g1k s GLY 42 CO 0.01 -0.93 0.10 -2.52 0.00 0.00 0.00 173.10 169.76 1g1k s TYR 43 N -1.30 0.24 -0.62 1.90 1.13 -0.64 -1.37 117.35 116.70 1g1k s TYR 43 Ca 0.26 -0.61 -0.26 0.00 -1.41 0.00 0.00 57.07 55.05 1g1k s TYR 43 Cb -0.12 -0.16 0.04 0.00 -1.10 0.00 0.00 41.96 40.62 1g1k s TYR 43 CO 0.18 -0.42 1.09 0.34 -2.51 0.00 0.00 175.55 174.24 1g1k s ASP 44 N -2.46 6.31 0.29 -0.18 3.68 -1.26 -4.15 116.67 118.90 1g1k s ASP 44 Ca -0.00 -0.33 0.22 0.00 2.13 0.00 0.00 52.55 54.56 1g1k s ASP 44 Cb 0.02 -2.49 1.08 0.00 -1.45 0.00 0.00 42.92 40.07 1g1k s ASP 44 CO -0.07 -1.47 1.67 0.00 0.13 0.00 0.00 175.17 175.43 1g1k n ALA 45 N 8.20 1.28 0.68 3.66 0.00 -1.26 -0.53 120.51 132.55 1g1k n ALA 45 Ca 0.03 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1g1k n ALA 45 Cb 0.48 -1.34 0.28 0.00 0.00 0.00 0.00 19.45 18.87 1g1k n ALA 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g1k n SER 46 N -2.24 0.63 -0.06 0.00 3.41 -1.26 -4.13 113.62 109.98 1g1k n SER 46 Ca -0.00 0.21 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 1g1k n SER 46 Cb 0.11 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1g1k n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1g1k n LEU 47 N -2.00 1.36 -4.25 1.04 4.32 -0.28 -4.85 117.00 112.34 1g1k n LEU 47 Ca 0.04 -0.03 -0.23 0.00 -0.02 0.00 0.00 56.01 55.77 1g1k n LEU 47 Cb 0.41 -0.08 -0.13 0.00 -1.62 0.00 0.00 43.42 42.01 1g1k n LEU 47 CO 0.34 0.48 -0.51 -0.76 -1.22 0.00 0.00 177.39 175.72 1g1k s LEU 48 N -5.26 2.26 -0.12 2.23 1.43 0.31 -0.83 118.68 118.70 1g1k s LEU 48 Ca -0.11 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1g1k s LEU 48 Cb 0.04 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.44 1g1k s LEU 48 CO 0.39 0.06 -0.19 -0.70 0.23 0.00 0.00 176.35 176.13 1g1k s GLU 49 N -1.65 2.67 -0.28 1.70 2.12 -0.49 -4.23 118.70 118.54 1g1k s GLU 49 Ca 0.05 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 1g1k s GLU 49 Cb -0.10 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.14 1g1k s GLU 49 CO 0.03 -0.00 1.06 0.08 -0.54 0.00 0.00 175.26 175.89 1g1k s VAL 50 N 0.80 4.57 -0.03 3.70 1.01 -1.26 0.29 120.40 129.49 1g1k s VAL 50 Ca -0.09 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1g1k s VAL 50 Cb -0.16 -4.37 -0.26 0.00 0.00 0.00 0.00 36.38 31.60 1g1k s VAL 50 CO 0.00 -0.35 0.73 0.58 0.00 0.00 0.00 175.10 176.05 1g1k h VAL 51 N 5.62 0.99 -1.42 2.92 2.07 -0.80 -3.48 116.25 122.15 1g1k h VAL 51 Ca -0.20 -2.70 0.28 0.00 0.82 0.00 0.00 66.70 64.90 1g1k h VAL 51 Cb 1.06 2.63 -0.17 0.00 -1.52 0.00 0.00 31.29 33.29 1g1k h VAL 51 CO 1.01 0.77 0.83 -0.94 0.02 0.00 0.00 177.57 179.26 1g1k s SER 52 N -6.78 -0.10 -0.04 0.57 1.04 -1.14 -4.99 113.70 102.26 1g1k s SER 52 Ca -0.10 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1g1k s SER 52 Cb 0.07 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1g1k s SER 52 CO 0.83 -0.23 -0.02 -0.69 0.98 0.00 0.00 173.24 174.11 1g1k s VAL 53 N -2.38 0.40 0.03 5.02 1.01 -1.26 -0.59 120.40 122.63 1g1k s VAL 53 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1g1k s VAL 53 Cb 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1g1k s VAL 53 CO -0.04 0.21 -0.10 -1.81 0.00 0.00 0.00 175.10 173.36 1g1k s ASP 54 N 1.12 1.12 0.57 3.32 1.01 -0.14 -4.93 116.67 118.74 1g1k s ASP 54 Ca -0.08 -0.38 -0.20 0.00 0.71 0.00 0.00 52.55 52.60 1g1k s ASP 54 Cb -0.14 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1g1k s ASP 54 CO -0.01 -0.03 1.26 0.00 0.21 0.00 0.00 175.17 176.60 1g1k s ALA 55 N -0.79 2.66 0.72 5.23 0.00 -1.26 -0.54 121.76 127.78 1g1k s ALA 55 Ca -0.02 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1g1k s ALA 55 Cb -0.07 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.70 1g1k s ALA 55 CO 0.01 -1.23 0.98 0.41 0.00 0.00 0.00 175.76 175.93 1g1k n GLY 56 N 0.63 0.82 0.39 0.00 0.00 0.16 -4.67 105.19 102.52 1g1k n GLY 56 Ca 0.12 -2.06 0.19 0.00 0.00 0.00 0.00 46.02 44.28 1g1k n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1g1k h PRO 57 N 0.00 0.16 0.00 1.61 0.11 -1.83 -2.01 132.00 130.04 1g1k h PRO 57 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1g1k h PRO 57 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1g1k h PRO 57 CO 0.36 0.10 0.00 0.44 -0.21 0.00 0.00 178.00 178.70 1g1k n ILE 58 N -4.41 0.09 -3.52 4.15 -5.35 -1.15 -4.59 119.36 104.57 1g1k n ILE 58 Ca 0.12 0.02 -0.41 0.00 -0.27 0.00 0.00 62.75 62.22 1g1k n ILE 58 Cb 0.61 -0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 37.82 1g1k n ILE 58 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1g1k s VAL 59 N -2.35 5.28 -0.00 7.28 1.01 -0.76 -4.58 120.40 126.28 1g1k s VAL 59 Ca 0.32 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1g1k s VAL 59 Cb 0.18 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1g1k s VAL 59 CO 0.37 -0.04 0.50 -0.54 0.00 0.00 0.00 175.10 175.39 1g1k s LYS 60 N 1.73 4.15 -1.12 2.72 1.02 -1.26 -4.32 119.74 122.66 1g1k s LYS 60 Ca 0.06 0.56 -0.13 0.00 0.02 0.00 0.00 55.97 56.48 1g1k s LYS 60 Cb -0.18 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1g1k s LYS 60 CO 0.11 0.52 0.84 -1.71 -0.92 0.00 0.00 175.35 174.18 1g1k n ASN 61 N 2.30 -5.43 -0.36 2.83 4.05 -1.26 -4.71 115.26 112.68 1g1k n ASN 61 Ca -0.10 -0.88 -0.02 0.00 0.45 0.00 0.00 54.58 54.02 1g1k n ASN 61 Cb 0.51 -4.15 0.10 0.00 1.23 0.00 0.00 39.78 37.47 1g1k n ASN 61 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1g1k h ALA 62 N 0.48 1.23 -0.93 5.20 0.00 -1.95 -1.58 119.26 121.70 1g1k h ALA 62 Ca -0.64 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 54.46 1g1k h ALA 62 Cb 1.34 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1g1k h ALA 62 CO 0.47 0.62 0.66 0.00 0.00 0.00 0.00 179.25 181.00 1g1k h ALA 63 N 1.36 2.76 0.00 0.00 0.00 -1.90 -0.67 119.26 120.80 1g1k h ALA 63 Ca 0.36 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.88 1g1k h ALA 63 Cb -0.15 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1g1k h ALA 63 CO -0.08 -1.03 -2.37 0.28 0.00 0.00 0.00 179.25 176.05 1g1k n VAL 64 N -4.31 1.37 0.77 0.00 0.31 -0.96 -4.72 118.33 110.80 1g1k n VAL 64 Ca 0.20 -0.64 0.11 0.00 -0.01 0.00 0.00 64.34 63.99 1g1k n VAL 64 Cb 0.95 -1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.80 1g1k n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1g1k n ASN 65 N -3.02 0.72 -4.33 4.52 5.03 -0.64 -4.91 115.26 112.63 1g1k n ASN 65 Ca -0.39 -0.60 -0.28 0.00 0.87 0.00 0.00 54.58 54.18 1g1k n ASN 65 Cb 1.02 1.00 -0.14 0.00 -1.02 0.00 0.00 39.78 40.65 1g1k n ASN 65 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1g1k s PHE 66 N -3.11 2.17 -0.15 3.10 5.36 -0.29 -0.18 117.98 124.88 1g1k s PHE 66 Ca 0.05 -0.40 -0.10 0.00 -0.96 0.00 0.00 56.93 55.52 1g1k s PHE 66 Cb 0.16 -1.26 0.05 0.00 -0.34 0.00 0.00 43.02 41.63 1g1k s PHE 66 CO 0.84 0.18 0.38 0.45 -1.46 0.00 0.00 175.22 175.61 1g1k s SER 67 N -1.50 -0.44 -0.01 6.13 0.15 0.08 -4.74 113.70 113.37 1g1k s SER 67 Ca 0.11 0.81 -0.00 0.00 0.70 0.00 0.00 55.95 57.56 1g1k s SER 67 Cb -0.10 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1g1k s SER 67 CO 0.03 -0.17 0.02 -0.55 1.20 0.00 0.00 173.24 173.77 1g1k s SER 68 N 0.93 -0.01 -0.01 5.45 0.15 -1.26 -0.58 113.70 118.38 1g1k s SER 68 Ca -0.06 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1g1k s SER 68 Cb -0.06 0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1g1k s SER 68 CO -0.07 -0.02 -0.01 -0.94 1.20 0.00 0.00 173.24 173.40 1g1k s SER 69 N 0.14 0.21 -0.21 5.45 1.04 -1.01 -4.99 113.70 114.33 1g1k s SER 69 Ca -0.01 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.41 1g1k s SER 69 Cb -0.02 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1g1k s SER 69 CO -0.00 -0.01 -0.16 0.00 0.98 0.00 0.00 173.24 174.05 1g1k s ALA 70 N 0.23 2.45 -0.17 5.32 0.00 -1.26 -0.52 121.76 127.81 1g1k s ALA 70 Ca -0.02 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 1g1k s ALA 70 Cb -0.04 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.79 1g1k s ALA 70 CO -0.01 -0.57 0.05 0.45 0.00 0.00 0.00 175.76 175.68 1g1k s SER 71 N 1.27 2.55 -0.92 0.00 0.15 0.25 -5.00 113.70 112.00 1g1k s SER 71 Ca 0.02 -0.65 -0.08 0.00 0.70 0.00 0.00 55.95 55.93 1g1k s SER 71 Cb -0.15 -0.47 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 1g1k s SER 71 CO -0.10 -0.30 0.63 -3.20 1.20 0.00 0.00 173.24 171.47 1g1k n ASN 72 N 5.13 -4.83 0.00 5.45 5.15 -1.26 -1.93 115.26 122.97 1g1k n ASN 72 Ca -0.08 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1g1k n ASN 72 Cb 0.48 -1.87 0.00 0.00 -0.53 0.00 0.00 39.78 37.86 1g1k n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1g1k n GLY 73 N -1.75 2.40 2.91 8.20 0.00 -1.26 -4.89 105.19 110.80 1g1k n GLY 73 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1g1k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g1k s THR 74 N -2.68 0.29 -0.10 2.61 2.01 -0.81 -1.62 115.64 115.33 1g1k s THR 74 Ca 0.00 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1g1k s THR 74 Cb 0.00 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1g1k s THR 74 CO 0.00 0.11 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.21 1g1k s ILE 75 N 0.21 1.79 -0.10 1.82 1.01 -0.07 -0.58 121.20 125.28 1g1k s ILE 75 Ca -0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1g1k s ILE 75 Cb -0.05 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1g1k s ILE 75 CO -0.00 0.50 0.05 -0.55 0.00 0.00 0.00 174.94 174.94 1g1k s SER 76 N 0.56 5.67 -0.10 3.58 0.15 0.32 -1.41 113.70 122.47 1g1k s SER 76 Ca -0.15 0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.78 1g1k s SER 76 Cb -0.17 -1.70 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1g1k s SER 76 CO 0.05 0.39 -0.15 -0.36 1.20 0.00 0.00 173.24 174.37 1g1k s PHE 77 N -0.92 1.89 -0.02 3.44 0.40 -0.37 -2.41 117.98 119.98 1g1k s PHE 77 Ca 0.14 -0.87 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 1g1k s PHE 77 Cb -0.12 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1g1k s PHE 77 CO 0.03 -0.45 -0.08 -0.51 0.70 0.00 0.00 175.22 174.91 1g1k s LEU 78 N 0.97 1.80 -0.03 -0.37 1.02 0.26 -2.17 118.68 120.16 1g1k s LEU 78 Ca -0.07 -0.17 -0.00 0.00 0.02 0.00 0.00 54.13 53.91 1g1k s LEU 78 Cb -0.15 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 45.59 1g1k s LEU 78 CO -0.01 0.06 0.01 0.12 0.02 0.00 0.00 176.35 176.55 1g1k s PHE 79 N 0.17 0.24 -0.13 0.29 5.36 -0.26 -0.74 117.98 122.91 1g1k s PHE 79 Ca -0.02 0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 55.95 1g1k s PHE 79 Cb -0.08 -0.39 0.07 0.00 -0.34 0.00 0.00 43.02 42.27 1g1k s PHE 79 CO 0.00 -0.14 0.22 -1.17 -1.46 0.00 0.00 175.22 172.68 1g1k s LEU 80 N 1.19 -0.20 -0.35 6.12 0.20 0.75 -1.22 118.68 125.17 1g1k s LEU 80 Ca -0.08 0.34 0.01 0.00 0.69 0.00 0.00 54.13 55.09 1g1k s LEU 80 Cb -0.13 0.51 0.14 0.00 -0.43 0.00 0.00 46.19 46.28 1g1k s LEU 80 CO -0.02 -0.26 0.28 -0.62 -0.29 0.00 0.00 176.35 175.43 1g1k s ASP 81 N 2.36 2.16 0.22 3.68 3.68 0.27 -4.59 116.67 124.45 1g1k s ASP 81 Ca 0.03 -1.69 0.20 0.00 2.13 0.00 0.00 52.55 53.23 1g1k s ASP 81 Cb -0.13 0.10 0.03 0.00 -1.45 0.00 0.00 42.92 41.47 1g1k s ASP 81 CO -0.08 -0.31 1.13 0.78 0.13 0.00 0.00 175.17 176.81 1g1k h ASN 82 N 7.32 0.00 0.00 -0.34 2.35 -1.98 -3.43 115.58 119.50 1g1k h ASN 82 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1g1k h ASN 82 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1g1k h ASN 82 CO 0.26 0.19 -0.45 0.35 -1.65 0.00 0.00 177.43 176.13 1g1k n THR 83 N -2.86 0.00 -3.52 2.81 -2.24 -1.26 -4.97 114.28 102.24 1g1k n THR 83 Ca -0.01 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1g1k n THR 83 Cb 0.63 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 1g1k n THR 83 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1g1k s ILE 84 N -1.26 4.47 0.29 2.28 1.09 -1.26 -4.95 121.20 121.86 1g1k s ILE 84 Ca 0.00 -1.51 0.03 0.00 -1.10 0.00 0.00 60.65 58.08 1g1k s ILE 84 Cb 0.00 -3.82 0.28 0.00 -1.06 0.00 0.00 42.46 37.87 1g1k s ILE 84 CO 0.00 -0.66 1.78 0.74 -0.10 0.00 0.00 174.94 176.71 1g1k h THR 85 N 6.03 0.75 0.00 2.92 2.02 -1.94 -0.56 112.91 122.14 1g1k h THR 85 Ca -0.24 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1g1k h THR 85 Cb 1.08 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1g1k h THR 85 CO 0.84 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.98 1g1k n ASP 86 N -4.77 0.00 -0.50 4.18 5.68 -1.26 -2.72 116.55 117.16 1g1k n ASP 86 Ca 0.21 -0.74 0.05 0.00 -0.50 0.00 0.00 54.79 53.82 1g1k n ASP 86 Cb 0.50 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.58 1g1k n ASP 86 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1g1k n GLU 87 N -1.00 1.75 -1.84 0.11 1.02 -0.22 -4.98 120.64 115.48 1g1k n GLU 87 Ca 0.18 -1.59 -0.34 0.00 -0.02 0.00 0.00 57.16 55.38 1g1k n GLU 87 Cb 0.08 -1.22 0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1g1k n GLU 87 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g1k s LEU 88 N -0.93 3.48 -0.18 -4.62 1.02 -1.10 -4.37 118.68 111.97 1g1k s LEU 88 Ca 0.17 2.11 -0.29 0.00 0.02 0.00 0.00 54.13 56.14 1g1k s LEU 88 Cb 0.10 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.74 1g1k s LEU 88 CO 0.14 -1.62 1.02 -0.63 0.02 0.00 0.00 176.35 175.28 1g1k s ILE 89 N -2.12 4.72 0.00 -0.59 1.01 0.08 -4.82 121.20 119.48 1g1k s ILE 89 Ca 0.70 2.02 0.00 0.00 0.00 0.00 0.00 60.65 63.37 1g1k s ILE 89 Cb -0.23 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1g1k s ILE 89 CO 0.38 -0.11 0.00 0.35 0.00 0.00 0.00 174.94 175.56 1g1k n THR 90 N 5.03 0.00 -4.37 2.92 -2.24 -1.26 -2.65 114.28 111.72 1g1k n THR 90 Ca 0.11 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 1g1k n THR 90 Cb 0.47 0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 1g1k n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g1k s ALA 91 N -0.66 2.98 0.35 6.98 0.00 -1.26 -4.18 121.76 125.96 1g1k s ALA 91 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 1g1k s ALA 91 Cb 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 1g1k s ALA 91 CO 0.00 0.29 0.82 -0.51 0.00 0.00 0.00 175.76 176.36 1g1k s ASP 92 N -3.54 6.90 0.00 0.00 1.11 -1.26 -4.83 116.67 115.06 1g1k s ASP 92 Ca 0.30 1.48 0.00 0.00 0.18 0.00 0.00 52.55 54.51 1g1k s ASP 92 Cb -0.06 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.48 1g1k s ASP 92 CO 0.17 -0.22 0.00 0.61 1.18 0.00 0.00 175.17 176.91 1g1k n GLY 93 N -0.28 -0.26 3.65 0.21 0.00 -0.67 -4.96 105.19 102.88 1g1k n GLY 93 Ca 0.04 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1g1k n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g1k s VAL 94 N -2.88 4.48 0.01 1.61 1.01 -1.26 -0.71 120.40 122.65 1g1k s VAL 94 Ca 0.00 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 1g1k s VAL 94 Cb 0.00 -4.30 -0.32 0.00 0.00 0.00 0.00 36.38 31.76 1g1k s VAL 94 CO 0.00 -0.36 0.89 0.15 0.00 0.00 0.00 175.10 175.78 1g1k h PHE 95 N 8.10 0.75 -2.55 5.22 3.57 -0.92 -3.01 116.94 128.10 1g1k h PHE 95 Ca -0.22 -0.55 -0.06 0.00 3.53 0.00 0.00 57.97 60.68 1g1k h PHE 95 Cb 1.07 -0.03 -0.17 0.00 2.79 0.00 0.00 35.95 39.61 1g1k h PHE 95 CO 0.81 1.53 0.10 0.00 -2.23 0.00 0.00 178.31 178.53 1g1k s ALA 96 N -2.60 -1.50 -0.14 2.41 0.00 -1.06 0.39 121.76 119.26 1g1k s ALA 96 Ca -0.11 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1g1k s ALA 96 Cb 0.05 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1g1k s ALA 96 CO 0.89 -0.49 -0.21 -0.80 0.00 0.00 0.00 175.76 175.16 1g1k s ASN 97 N -1.79 3.22 -0.19 0.00 0.02 0.30 -0.73 114.94 115.77 1g1k s ASN 97 Ca -0.07 -0.57 -0.07 0.00 -1.02 0.00 0.00 52.86 51.14 1g1k s ASN 97 Cb -0.01 -1.46 -0.04 0.00 0.02 0.00 0.00 41.25 39.76 1g1k s ASN 97 CO 0.01 0.09 0.04 -0.63 0.02 0.00 0.00 177.10 176.63 1g1k s ILE 98 N 0.75 4.54 -0.19 0.60 1.01 -0.48 -0.97 121.20 126.46 1g1k s ILE 98 Ca -0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1g1k s ILE 98 Cb -0.16 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1g1k s ILE 98 CO -0.00 0.45 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1g1k s LYS 99 N 0.54 3.82 0.07 2.79 3.01 0.25 -0.32 119.74 129.90 1g1k s LYS 99 Ca 0.02 -0.42 0.09 0.00 -1.01 0.00 0.00 55.97 54.65 1g1k s LYS 99 Cb -0.13 -3.18 -0.03 0.00 -1.01 0.00 0.00 37.83 33.48 1g1k s LYS 99 CO 0.01 0.14 -0.23 -0.06 0.51 0.00 0.00 175.35 175.72 1g1k s PHE 100 N 0.71 2.42 -0.16 3.18 0.08 -0.21 -0.06 117.98 123.95 1g1k s PHE 100 Ca 0.02 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.69 1g1k s PHE 100 Cb -0.14 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1g1k s PHE 100 CO 0.02 0.23 -0.01 0.21 -0.10 0.00 0.00 175.22 175.57 1g1k s LYS 101 N -1.54 3.71 0.05 0.44 2.20 0.15 -0.90 119.74 123.84 1g1k s LYS 101 Ca 0.14 -0.47 -0.26 0.00 -0.36 0.00 0.00 55.97 55.02 1g1k s LYS 101 Cb -0.10 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 1g1k s LYS 101 CO 0.05 0.28 0.81 -0.51 -0.36 0.00 0.00 175.35 175.62 1g1k s LEU 102 N 0.27 4.45 0.57 5.43 1.02 -0.24 -1.40 118.68 128.77 1g1k s LEU 102 Ca -0.01 1.51 0.02 0.00 0.02 0.00 0.00 54.13 55.66 1g1k s LEU 102 Cb -0.13 -3.30 0.05 0.00 0.02 0.00 0.00 46.19 42.82 1g1k s LEU 102 CO 0.02 -0.02 0.79 -0.54 0.02 0.00 0.00 176.35 176.62 1g1k s LYS 103 N 0.04 2.43 0.71 1.70 1.02 -0.01 0.07 119.74 125.69 1g1k s LYS 103 Ca 0.41 -0.91 -0.14 0.00 0.02 0.00 0.00 55.97 55.35 1g1k s LYS 103 Cb -0.21 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1g1k s LYS 103 CO 0.24 -0.79 1.12 -1.54 -0.92 0.00 0.00 175.35 173.46 1g1k s SER 104 N -4.48 4.73 0.01 2.83 1.04 -1.26 -4.44 113.70 112.14 1g1k s SER 104 Ca 0.59 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.97 1g1k s SER 104 Cb -0.09 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 1g1k s SER 104 CO 0.39 -1.89 0.13 0.68 0.98 0.00 0.00 173.24 173.53 1g1k s VAL 105 N -2.42 0.09 0.09 5.02 -7.23 -1.26 -4.96 120.40 109.73 1g1k s VAL 105 Ca 0.67 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.97 1g1k s VAL 105 Cb -0.21 -0.54 -0.25 0.00 0.56 0.00 0.00 36.38 35.94 1g1k s VAL 105 CO 0.46 -0.43 1.18 0.74 -0.31 0.00 0.00 175.10 176.74 1g1k h THR 106 N 4.11 1.38 -4.31 5.32 2.02 -1.98 -3.45 112.91 116.00 1g1k h THR 106 Ca -0.31 -2.62 -0.14 0.00 0.77 0.00 0.00 66.41 64.11 1g1k h THR 106 Cb 1.19 2.67 -0.15 0.00 -1.74 0.00 0.00 68.15 70.12 1g1k h THR 106 CO 0.43 0.78 -0.67 0.00 0.37 0.00 0.00 175.52 176.43 1g1k s ALA 107 N -2.99 0.64 0.01 6.16 0.00 -1.26 -4.93 121.76 119.38 1g1k s ALA 107 Ca -0.07 -1.31 -0.38 0.00 0.00 0.00 0.00 51.96 50.21 1g1k s ALA 107 Cb 0.07 0.50 -0.17 0.00 0.00 0.00 0.00 23.12 23.52 1g1k s ALA 107 CO 0.90 -0.41 1.36 1.17 0.00 0.00 0.00 175.76 178.77 1g1k n LYS 108 N 0.03 0.95 -4.06 0.00 4.81 -1.26 -4.74 118.16 113.89 1g1k n LYS 108 Ca -0.11 0.34 -0.18 0.00 -0.87 0.00 0.00 58.31 57.50 1g1k n LYS 108 Cb 0.62 -1.97 -0.16 0.00 0.02 0.00 0.00 35.03 33.54 1g1k n LYS 108 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1g1k s THR 109 N 0.90 0.35 -0.34 3.15 2.01 -0.19 -4.99 115.64 116.53 1g1k s THR 109 Ca 0.88 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 1g1k s THR 109 Cb -1.03 -0.39 0.04 0.00 0.01 0.00 0.00 72.50 71.13 1g1k s THR 109 CO 0.52 0.17 0.10 -0.89 -0.69 0.00 0.00 174.62 173.82 1g1k s THR 110 N 0.80 3.73 -0.12 -0.82 2.01 -1.26 0.08 115.64 120.05 1g1k s THR 110 Ca -0.09 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 1g1k s THR 110 Cb -0.12 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1g1k s THR 110 CO -0.01 -0.17 -0.00 0.28 -0.69 0.00 0.00 174.62 174.03 1g1k s THR 111 N 1.39 4.23 0.38 -0.82 -1.32 0.21 -4.91 115.64 114.80 1g1k s THR 111 Ca -0.02 -0.26 -0.24 0.00 -1.21 0.00 0.00 61.69 59.96 1g1k s THR 111 Cb -0.19 -2.82 -0.09 0.00 -1.51 0.00 0.00 72.50 67.88 1g1k s THR 111 CO 0.03 0.55 1.03 -2.16 -2.21 0.00 0.00 174.62 171.86 1g1k s PRO 112 N -0.30 4.25 -0.27 7.08 0.04 -1.26 -0.53 135.00 144.01 1g1k s PRO 112 Ca 0.06 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1g1k s PRO 112 Cb -0.12 -2.60 0.06 0.00 0.04 0.00 0.00 34.50 31.88 1g1k s PRO 112 CO 0.02 -0.06 -0.08 0.08 0.04 0.00 0.00 177.00 177.00 1g1k s VAL 113 N -1.64 2.37 0.20 -0.36 1.01 -0.27 -4.45 120.40 117.26 1g1k s VAL 113 Ca 0.56 -1.59 0.10 0.00 0.00 0.00 0.00 61.98 61.06 1g1k s VAL 113 Cb -0.22 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1g1k s VAL 113 CO 0.27 -0.05 -0.20 0.42 0.00 0.00 0.00 175.10 175.54 1g1k s THR 114 N 1.13 2.09 0.13 3.92 -4.23 -0.47 -1.48 115.64 116.74 1g1k s THR 114 Ca -0.08 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.04 1g1k s THR 114 Cb -0.20 -2.04 -0.07 0.00 1.34 0.00 0.00 72.50 71.53 1g1k s THR 114 CO -0.04 -0.31 1.15 -0.36 -0.54 0.00 0.00 174.62 174.52 1g1k s PHE 115 N -2.15 3.50 0.20 3.99 0.08 -1.26 0.10 117.98 122.44 1g1k s PHE 115 Ca 0.21 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.73 1g1k s PHE 115 Cb -0.06 -3.36 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 1g1k s PHE 115 CO 0.09 -0.97 0.03 0.15 -0.10 0.00 0.00 175.22 174.43 1g1k s LYS 116 N 0.23 1.21 -0.39 0.44 1.02 -0.14 -4.84 119.74 117.26 1g1k s LYS 116 Ca 0.54 -1.61 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 1g1k s LYS 116 Cb -0.30 -0.26 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1g1k s LYS 116 CO 0.33 -0.19 0.07 -0.25 -0.92 0.00 0.00 175.35 174.40 1g1k n ASP 117 N -0.31 -1.67 0.00 2.83 8.00 -1.26 -4.01 116.55 120.12 1g1k n ASP 117 Ca -0.04 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1g1k n ASP 117 Cb 0.64 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1g1k n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g1k n GLY 118 N -0.63 1.72 0.00 0.44 0.00 -1.26 -4.90 105.19 100.56 1g1k n GLY 118 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1g1k n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g1k n GLY 119 N 0.00 -0.51 3.37 -0.02 0.00 -1.26 -3.96 105.19 102.81 1g1k n GLY 119 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1g1k n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g1k s ALA 120 N -1.00 -1.18 -0.05 4.61 0.00 0.76 -4.97 121.76 119.93 1g1k s ALA 120 Ca 0.00 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 1g1k s ALA 120 Cb 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1g1k s ALA 120 CO 0.00 -0.26 0.10 -0.06 0.00 0.00 0.00 175.76 175.55 1g1k s PHE 121 N -0.32 -0.07 0.04 0.00 0.08 -1.26 -1.01 117.98 115.44 1g1k s PHE 121 Ca -0.05 0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.46 1g1k s PHE 121 Cb -0.03 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.13 1g1k s PHE 121 CO 0.03 -0.19 -0.20 0.20 -0.10 0.00 0.00 175.22 174.96 1g1k s GLY 122 N 1.71 1.10 0.87 4.36 0.00 0.64 -1.17 107.32 114.83 1g1k s GLY 122 Ca -0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1g1k s GLY 122 CO -0.05 -0.97 1.21 0.51 0.00 0.00 0.00 173.10 173.80 1g1k s ASP 123 N -1.18 3.61 0.59 1.64 1.47 0.59 -1.15 116.67 122.23 1g1k s ASP 123 Ca 0.07 0.11 0.29 0.00 1.18 0.00 0.00 52.55 54.19 1g1k s ASP 123 Cb -0.09 -0.29 1.72 0.00 -0.34 0.00 0.00 42.92 43.92 1g1k s ASP 123 CO 0.02 -2.39 2.18 1.23 0.68 0.00 0.00 175.17 176.88 1g1k h GLY 124 N -1.24 0.00 -1.04 2.12 0.00 -0.74 -0.84 103.07 101.32 1g1k h GLY 124 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1g1k h GLY 124 CO 0.41 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.65 1g1k n THR 125 N -3.85 0.41 -1.33 4.70 -2.24 -1.26 -4.87 114.28 105.84 1g1k n THR 125 Ca -0.01 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1g1k n THR 125 Cb 0.20 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 1g1k n THR 125 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1g1k n MET 126 N 0.22 -0.70 -4.16 -0.78 2.81 -0.32 -5.01 117.12 109.18 1g1k n MET 126 Ca 0.08 0.84 -0.31 0.00 -1.81 0.00 0.00 57.70 56.50 1g1k n MET 126 Cb 0.26 -4.77 -0.08 0.00 -0.71 0.00 0.00 33.22 27.92 1g1k n MET 126 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1g1k s SER 127 N -2.88 5.12 0.28 7.83 0.01 -1.26 -4.86 113.70 117.94 1g1k s SER 127 Ca 0.00 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 1g1k s SER 127 Cb 0.00 -1.27 -0.12 0.00 0.21 0.00 0.00 66.02 64.84 1g1k s SER 127 CO 0.00 0.20 1.63 1.17 0.41 0.00 0.00 173.24 176.65 1g1k n LYS 128 N 0.76 2.76 -2.58 12.44 4.81 -1.26 -0.30 118.16 134.79 1g1k n LYS 128 Ca -0.11 0.98 -0.43 0.00 -0.87 0.00 0.00 58.31 57.88 1g1k n LYS 128 Cb 0.52 -2.78 -0.02 0.00 0.02 0.00 0.00 35.03 32.77 1g1k n LYS 128 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1g1k s ILE 129 N 0.18 4.35 0.11 3.15 2.07 -0.31 -4.78 121.20 125.97 1g1k s ILE 129 Ca 0.65 1.51 -0.25 0.00 -1.41 0.00 0.00 60.65 61.15 1g1k s ILE 129 Cb -0.49 -4.40 -0.08 0.00 0.13 0.00 0.00 42.46 37.63 1g1k s ILE 129 CO 0.46 -0.60 1.43 0.00 -1.91 0.00 0.00 174.94 174.31 1g1k h ALA 130 N 8.66 -0.59 -4.12 1.50 0.00 -1.91 -3.43 119.26 119.37 1g1k h ALA 130 Ca -0.22 0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.14 1g1k h ALA 130 Cb 1.07 1.13 -0.30 0.00 0.00 0.00 0.00 17.79 19.68 1g1k h ALA 130 CO 1.06 -0.84 -0.84 0.45 0.00 0.00 0.00 179.25 179.07 1g1k s SER 131 N -4.69 2.26 -0.09 0.00 0.15 -1.26 -5.10 113.70 104.96 1g1k s SER 131 Ca -0.11 -0.36 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 1g1k s SER 131 Cb 0.07 -0.46 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1g1k s SER 131 CO 0.48 0.20 -0.06 -0.69 1.20 0.00 0.00 173.24 174.37 1g1k s VAL 132 N -0.20 0.85 -0.38 4.45 1.01 -1.26 -1.29 120.40 123.57 1g1k s VAL 132 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1g1k s VAL 132 Cb -0.10 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1g1k s VAL 132 CO 0.01 0.33 0.45 -0.89 0.00 0.00 0.00 175.10 175.00 1g1k s THR 133 N 1.63 5.07 -0.16 3.92 2.01 0.87 -4.95 115.64 124.03 1g1k s THR 133 Ca 0.02 -0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1g1k s THR 133 Cb -0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1g1k s THR 133 CO -0.06 -0.29 0.12 -0.54 -0.69 0.00 0.00 174.62 173.16 1g1k s LYS 134 N 2.22 3.85 -0.10 4.92 1.02 -1.26 -1.02 119.74 129.37 1g1k s LYS 134 Ca 0.14 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 55.92 1g1k s LYS 134 Cb -0.16 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1g1k s LYS 134 CO 0.13 0.48 -0.07 0.99 -0.92 0.00 0.00 175.35 175.97 1g1k s THR 135 N -0.18 0.90 0.69 2.17 2.01 -0.53 -5.00 115.64 115.71 1g1k s THR 135 Ca 0.10 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 1g1k s THR 135 Cb -0.12 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1g1k s THR 135 CO 0.01 0.34 1.07 0.20 -0.69 0.00 0.00 174.62 175.55 1g1k s ASN 136 N 1.57 5.20 0.00 3.53 0.01 -1.26 -0.72 114.94 123.27 1g1k s ASN 136 Ca 0.02 1.76 0.00 0.00 -0.71 0.00 0.00 52.86 53.92 1g1k s ASN 136 Cb -0.13 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.01 1g1k s ASN 136 CO -0.06 -1.57 0.00 0.61 -1.51 0.00 0.00 177.10 174.58 1g1k n GLY 137 N -1.40 6.50 3.75 0.66 0.00 -0.55 -4.56 105.19 109.58 1g1k n GLY 137 Ca 0.09 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1g1k n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g1k s SER 138 N 0.41 -0.11 -0.05 1.61 1.04 -0.89 -1.11 113.70 114.60 1g1k s SER 138 Ca 0.00 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1g1k s SER 138 Cb 0.00 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1g1k s SER 138 CO 0.00 -0.74 -0.05 -0.69 0.98 0.00 0.00 173.24 172.74 1g1k s VAL 139 N -2.83 0.60 -0.21 5.02 1.01 0.31 -2.04 120.40 122.26 1g1k s VAL 139 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1g1k s VAL 139 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1g1k s VAL 139 CO 0.01 0.24 0.11 -0.89 0.00 0.00 0.00 175.10 174.57 1g1k s THR 140 N 0.89 5.07 -0.26 3.92 2.01 0.11 -0.62 115.64 126.76 1g1k s THR 140 Ca -0.12 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 1g1k s THR 140 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1g1k s THR 140 CO 0.00 0.40 0.01 -0.63 -0.69 0.00 0.00 174.62 173.72 1g1k s ILE 141 N 0.73 3.59 -0.33 1.82 1.01 0.11 -0.69 121.20 127.43 1g1k s ILE 141 Ca 0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1g1k s ILE 141 Cb -0.13 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.62 1g1k s ILE 141 CO 0.02 0.23 0.09 -0.62 0.00 0.00 0.00 174.94 174.66 1g1k s ASP 142 N 1.47 5.26 -0.07 3.58 -1.08 0.33 -1.02 116.67 125.14 1g1k s ASP 142 Ca 0.03 -1.12 -0.38 0.00 -0.52 0.00 0.00 52.55 50.56 1g1k s ASP 142 Cb -0.16 -1.86 -0.18 0.00 -1.46 0.00 0.00 42.92 39.26 1g1k s ASP 142 CO -0.01 -0.31 1.06 -2.65 0.52 0.00 0.00 175.17 173.78 1g1k n PRO 143 N 4.80 0.00 0.00 4.34 -0.02 -1.26 -4.44 135.00 138.42 1g1k n PRO 143 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1g1k n PRO 143 Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1g1k n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89