#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssk n GLY 2 N 0.00 2.20 3.59 3.03 0.00 -1.26 -4.84 105.19 107.90 1ssk n GLY 2 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1ssk n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ssk s SER 3 N -4.00 4.44 -0.12 1.61 0.01 -1.26 -4.88 113.70 109.50 1ssk s SER 3 Ca 0.00 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 1ssk s SER 3 Cb 0.00 -0.86 0.01 0.00 0.21 0.00 0.00 66.02 65.38 1ssk s SER 3 CO 0.00 0.16 0.05 -1.54 0.41 0.00 0.00 173.24 172.32 1ssk n SER 4 N 0.53 -5.91 -4.58 2.44 3.41 -1.26 -4.95 113.62 103.29 1ssk n SER 4 Ca -0.13 1.01 -0.36 0.00 -0.26 0.00 0.00 58.87 59.13 1ssk n SER 4 Cb 0.53 -3.37 -0.11 0.00 -0.26 0.00 0.00 64.21 61.01 1ssk n SER 4 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ssk s HIS 5 N -0.88 3.21 0.68 7.33 0.09 -1.26 -4.74 115.29 119.72 1ssk s HIS 5 Ca -0.06 -0.02 -0.10 0.00 -0.00 0.00 0.00 55.06 54.87 1ssk s HIS 5 Cb 0.00 -2.19 0.01 0.00 -0.00 0.00 0.00 32.58 30.40 1ssk s HIS 5 CO 0.38 -0.04 1.05 -1.01 -0.00 0.00 0.00 174.74 175.13 1ssk s HIS 6 N 1.00 3.33 0.86 1.40 3.76 -1.26 -5.06 115.29 119.32 1ssk s HIS 6 Ca 0.05 0.98 -0.13 0.00 -0.15 0.00 0.00 55.06 55.81 1ssk s HIS 6 Cb -0.14 -2.98 0.20 0.00 1.11 0.00 0.00 32.58 30.78 1ssk s HIS 6 CO 0.03 -1.08 0.46 0.72 -0.85 0.00 0.00 174.74 174.03 1ssk n HIS 7 N -2.90 -2.72 -1.34 1.40 8.25 -1.26 -4.66 115.22 111.98 1ssk n HIS 7 Ca 0.06 -0.34 -0.37 0.00 -0.26 0.00 0.00 57.72 56.82 1ssk n HIS 7 Cb 0.57 -0.87 -0.07 0.00 1.12 0.00 0.00 29.99 30.74 1ssk n HIS 7 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ssk n HIS 8 N -4.45 1.74 -3.82 4.41 8.25 -1.26 -4.75 115.22 115.35 1ssk n HIS 8 Ca 0.07 -1.37 -0.28 0.00 -0.26 0.00 0.00 57.72 55.89 1ssk n HIS 8 Cb 0.32 -1.89 -0.12 0.00 1.12 0.00 0.00 29.99 29.43 1ssk n HIS 8 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ssk n HIS 9 N 10.73 2.82 0.15 4.41 -0.00 -1.26 -4.91 115.22 127.15 1ssk n HIS 9 Ca 0.47 -4.20 0.05 0.00 -0.00 0.00 0.00 57.72 54.04 1ssk n HIS 9 Cb 0.43 -0.53 0.49 0.00 -0.00 0.00 0.00 29.99 30.38 1ssk n HIS 9 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1ssk h HIS 10 N 5.33 0.20 -2.55 4.41 -0.00 -1.99 -3.47 115.15 117.09 1ssk h HIS 10 Ca 0.16 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.40 1ssk h HIS 10 Cb 0.76 -0.06 0.04 0.00 -0.00 0.00 0.00 27.41 28.15 1ssk h HIS 10 CO 0.64 0.22 -0.21 0.43 -0.00 0.00 0.00 177.93 179.01 1ssk n SER 11 N -4.41 -3.32 -0.02 3.26 7.64 -1.26 -4.96 113.62 110.55 1ssk n SER 11 Ca -0.01 -0.17 -0.03 0.00 1.01 0.00 0.00 58.87 59.68 1ssk n SER 11 Cb 0.16 -1.93 -0.02 0.00 -1.01 0.00 0.00 64.21 61.42 1ssk n SER 11 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ssk n SER 12 N 0.00 3.75 -4.14 6.43 7.64 -1.26 -4.92 113.62 121.12 1ssk n SER 12 Ca -0.00 -0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 1ssk n SER 12 Cb 0.52 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 1ssk n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ssk s GLY 13 N -4.30 2.34 0.25 0.23 0.00 -1.26 -4.94 107.32 99.64 1ssk s GLY 13 Ca -0.05 -3.00 -0.04 0.00 0.00 0.00 0.00 44.72 41.63 1ssk s GLY 13 CO 0.09 1.10 1.82 -2.00 0.00 0.00 0.00 173.10 174.10 1ssk h LEU 14 N 7.52 0.72 -9.46 0.66 6.46 -2.03 -3.42 115.31 115.75 1ssk h LEU 14 Ca -0.06 0.05 -0.62 0.00 -0.12 0.00 0.00 57.88 57.13 1ssk h LEU 14 Cb 1.00 -0.09 0.09 0.00 -0.73 0.00 0.00 40.66 40.93 1ssk h LEU 14 CO 0.73 0.41 0.32 0.55 -0.62 0.00 0.00 178.44 179.83 1ssk n VAL 15 N -4.72 1.29 0.45 1.05 3.14 -1.26 -4.92 118.33 113.36 1ssk n VAL 15 Ca 0.14 -0.32 -0.18 0.00 -2.96 0.00 0.00 64.34 61.02 1ssk n VAL 15 Cb 0.28 -1.08 -0.08 0.00 -1.06 0.00 0.00 33.84 31.90 1ssk n VAL 15 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1ssk h PRO 16 N 3.12 -1.11 -4.88 1.45 0.13 -2.06 -3.49 132.00 125.16 1ssk h PRO 16 Ca -0.43 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ssk h PRO 16 Cb 1.32 0.25 -0.06 0.00 0.13 0.00 0.00 31.00 32.65 1ssk h PRO 16 CO 0.68 -0.74 -1.17 -2.13 -0.23 0.00 0.00 178.00 174.41 1ssk n ARG 17 N -5.35 -4.56 -1.11 0.86 0.63 -1.26 -4.85 116.66 101.03 1ssk n ARG 17 Ca -0.14 3.37 -0.25 0.00 -0.92 0.00 0.00 57.85 59.90 1ssk n ARG 17 Cb 0.45 -4.52 0.09 0.00 0.45 0.00 0.00 32.46 28.93 1ssk n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ssk n GLY 18 N 1.85 4.83 2.40 5.14 0.00 -1.26 -4.84 105.19 113.29 1ssk n GLY 18 Ca -0.19 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 1ssk n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ssk n SER 19 N -0.54 -3.59 -3.52 1.61 7.64 -1.26 -2.47 113.62 111.49 1ssk n SER 19 Ca 0.49 0.23 -0.16 0.00 1.01 0.00 0.00 58.87 60.44 1ssk n SER 19 Cb 0.87 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 1ssk n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssk n ALA 20 N -2.03 -2.68 -1.00 -0.43 0.00 -1.26 -4.95 120.51 108.16 1ssk n ALA 20 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ssk n ALA 20 Cb 0.58 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ssk n ALA 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ssk n MET 21 N -2.43 0.00 -1.64 0.00 2.81 -1.03 -4.82 117.12 110.02 1ssk n MET 21 Ca -0.19 0.01 -0.15 0.00 -1.81 0.00 0.00 57.70 55.57 1ssk n MET 21 Cb 0.62 -0.94 -0.05 0.00 -0.71 0.00 0.00 33.22 32.13 1ssk n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ssk n GLY 22 N -0.46 0.99 3.22 3.03 0.00 -1.26 -4.91 105.19 105.80 1ssk n GLY 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ssk n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ssk s LEU 23 N -4.31 1.48 -0.31 0.99 1.43 -1.26 -5.10 118.68 111.59 1ssk s LEU 23 Ca 0.00 -0.77 -0.35 0.00 -1.03 0.00 0.00 54.13 51.97 1ssk s LEU 23 Cb 0.00 0.92 -0.12 0.00 0.03 0.00 0.00 46.19 47.03 1ssk s LEU 23 CO 0.00 -0.75 2.12 -2.65 0.23 0.00 0.00 176.35 175.30 1ssk n PRO 24 N -0.07 1.21 -0.12 1.29 -0.02 -1.26 -4.86 135.00 131.17 1ssk n PRO 24 Ca -0.13 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.66 1ssk n PRO 24 Cb 0.62 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1ssk n PRO 24 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1ssk h ASN 25 N 11.65 -0.88 -0.23 2.55 -1.24 -1.98 -3.34 115.58 122.10 1ssk h ASN 25 Ca -0.31 0.12 -0.21 0.00 0.71 0.00 0.00 56.30 56.61 1ssk h ASN 25 Cb 1.31 0.37 -0.37 0.00 0.73 0.00 0.00 38.32 40.37 1ssk h ASN 25 CO 1.00 -0.14 -0.99 0.59 -1.29 0.00 0.00 177.43 176.60 1ssk n ASN 26 N -3.92 1.04 -3.77 1.15 3.02 -1.26 -5.05 115.26 106.46 1ssk n ASN 26 Ca -0.00 -2.03 -0.28 0.00 -0.03 0.00 0.00 54.58 52.24 1ssk n ASN 26 Cb 0.13 -0.30 -0.16 0.00 -0.61 0.00 0.00 39.78 38.84 1ssk n ASN 26 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ssk s THR 27 N -2.03 0.70 -0.21 3.41 -1.32 -1.26 -3.25 115.64 111.68 1ssk s THR 27 Ca 0.27 -0.64 -0.16 0.00 -1.21 0.00 0.00 61.69 59.95 1ssk s THR 27 Cb 0.34 -1.15 -0.10 0.00 -1.51 0.00 0.00 72.50 70.08 1ssk s THR 27 CO -0.09 -0.16 -0.23 0.00 -2.21 0.00 0.00 174.62 171.93 1ssk n ALA 28 N 4.99 0.90 0.00 11.08 0.00 -1.26 -4.66 120.51 131.56 1ssk n ALA 28 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1ssk n ALA 28 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1ssk n ALA 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ssk n SER 29 N -4.41 0.00 -3.30 0.00 7.64 -1.26 -4.87 113.62 107.42 1ssk n SER 29 Ca -0.30 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.21 1ssk n SER 29 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 1ssk n SER 29 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1ssk n TRP 30 N 0.00 2.29 -0.03 1.43 -0.00 -1.26 -4.60 117.44 115.26 1ssk n TRP 30 Ca 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 57.50 54.56 1ssk n TRP 30 Cb 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 31.31 28.93 1ssk n TRP 30 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1ssk n PHE 31 N 3.71 0.00 -3.43 5.87 3.01 -1.26 -4.23 117.46 121.13 1ssk n PHE 31 Ca 0.74 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 59.15 1ssk n PHE 31 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1ssk n PHE 31 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ssk n THR 32 N -0.52 0.00 -3.80 4.37 -2.24 -1.26 -4.70 114.28 106.14 1ssk n THR 32 Ca 0.00 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1ssk n THR 32 Cb 0.00 -0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 67.55 1ssk n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssk s ALA 33 N -2.16 0.05 -0.31 6.98 0.00 -1.25 -2.75 121.76 122.32 1ssk s ALA 33 Ca 0.08 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1ssk s ALA 33 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1ssk s ALA 33 CO 0.05 -0.08 1.47 -1.17 0.00 0.00 0.00 175.76 176.03 1ssk s LEU 34 N 0.80 3.76 -0.33 0.00 2.96 -0.62 -4.15 118.68 121.10 1ssk s LEU 34 Ca -0.07 1.22 -0.27 0.00 -0.22 0.00 0.00 54.13 54.80 1ssk s LEU 34 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1ssk s LEU 34 CO -0.02 -1.29 0.96 0.42 -1.32 0.00 0.00 176.35 175.09 1ssk s THR 35 N 5.15 4.60 -0.32 3.68 -4.23 -0.45 -1.89 115.64 122.19 1ssk s THR 35 Ca 0.64 1.44 -0.14 0.00 -1.18 0.00 0.00 61.69 62.45 1ssk s THR 35 Cb -0.19 -4.32 -0.02 0.00 1.34 0.00 0.00 72.50 69.31 1ssk s THR 35 CO 0.29 -0.44 0.32 -1.58 -0.54 0.00 0.00 174.62 172.67 1ssk s GLN 36 N 3.43 3.68 -0.02 3.99 -0.44 -1.08 -0.33 119.66 128.89 1ssk s GLN 36 Ca 0.40 -0.36 0.11 0.00 -2.50 0.00 0.00 55.36 53.01 1ssk s GLN 36 Cb -0.13 -3.76 -0.17 0.00 -1.64 0.00 0.00 33.01 27.31 1ssk s GLN 36 CO 0.16 -0.42 0.24 0.72 0.50 0.00 0.00 175.29 176.48 1ssk n HIS 37 N 5.29 0.00 0.00 1.67 8.25 -1.20 -4.68 115.22 124.55 1ssk n HIS 37 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1ssk n HIS 37 Cb 0.50 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1ssk n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ssk n GLY 38 N 1.88 -3.27 1.16 -1.41 0.00 0.29 -4.92 105.19 98.92 1ssk n GLY 38 Ca -0.03 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 44.86 1ssk n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ssk n LYS 39 N 0.00 2.42 -1.79 1.61 5.02 -1.26 -4.99 118.16 119.17 1ssk n LYS 39 Ca 0.00 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.27 1ssk n LYS 39 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1ssk n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ssk n GLU 40 N -0.82 1.01 -4.38 1.97 -0.58 -1.26 -5.12 120.64 111.46 1ssk n GLU 40 Ca 0.30 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.79 1ssk n GLU 40 Cb 1.04 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.82 1ssk n GLU 40 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1ssk s GLU 41 N -1.69 2.04 0.50 3.49 2.02 -1.26 -4.93 118.70 118.86 1ssk s GLU 41 Ca 0.00 -1.81 -0.24 0.00 0.02 0.00 0.00 54.97 52.94 1ssk s GLU 41 Cb 0.00 -1.88 -0.07 0.00 0.10 0.00 0.00 34.13 32.29 1ssk s GLU 41 CO 0.00 0.10 1.40 -0.11 0.02 0.00 0.00 175.26 176.67 1ssk n LEU 42 N -0.95 5.32 0.00 1.80 0.00 -1.26 -4.95 117.00 116.96 1ssk n LEU 42 Ca -0.04 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.02 1ssk n LEU 42 Cb 0.63 -1.59 0.00 0.00 0.00 0.00 0.00 43.42 42.46 1ssk n LEU 42 CO 0.44 -0.35 0.00 0.54 0.00 0.00 0.00 177.39 178.02 1ssk n ARG 43 N -0.57 0.00 -1.52 1.96 5.12 -1.26 -4.84 116.66 115.55 1ssk n ARG 43 Ca 0.08 0.00 -0.47 0.00 -1.93 0.00 0.00 57.85 55.53 1ssk n ARG 43 Cb 0.43 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.70 1ssk n ARG 43 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ssk n PHE 44 N 0.00 0.68 -0.58 -1.55 3.01 -1.26 -4.71 117.46 113.05 1ssk n PHE 44 Ca 0.00 0.80 -0.28 0.00 1.01 0.00 0.00 57.45 58.98 1ssk n PHE 44 Cb 0.00 -2.15 0.18 0.00 -0.01 0.00 0.00 39.48 37.50 1ssk n PHE 44 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1ssk n PRO 45 N 1.04 -2.17 -0.45 -1.08 -0.02 -1.26 -4.64 135.00 126.43 1ssk n PRO 45 Ca 0.14 -0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 60.75 1ssk n PRO 45 Cb 0.27 -1.67 0.22 0.00 -0.02 0.00 0.00 33.50 32.31 1ssk n PRO 45 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ssk n ARG 46 N -2.44 -3.65 0.00 -0.52 5.12 -1.26 -3.48 116.66 110.43 1ssk n ARG 46 Ca 0.03 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.70 1ssk n ARG 46 Cb 0.54 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 1ssk n ARG 46 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ssk n GLY 47 N -4.05 2.52 1.81 -0.13 0.00 -1.26 -4.41 105.19 99.67 1ssk n GLY 47 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1ssk n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ssk n GLN 48 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.75 117.38 118.99 1ssk n GLN 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ssk n GLN 48 Cb 0.00 -0.10 0.00 0.00 1.02 0.00 0.00 30.24 31.16 1ssk n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ssk n GLY 49 N 1.85 2.19 3.83 1.08 0.00 -1.23 -4.53 105.19 108.39 1ssk n GLY 49 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1ssk n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssk s VAL 50 N -0.05 5.16 0.97 1.61 0.11 -1.26 -4.49 120.40 122.44 1ssk s VAL 50 Ca 0.00 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.95 1ssk s VAL 50 Cb 0.00 -3.25 0.14 0.00 -1.53 0.00 0.00 36.38 31.74 1ssk s VAL 50 CO 0.00 0.58 0.19 -0.81 -3.33 0.00 0.00 175.10 171.73 1ssk n PRO 51 N 1.89 -1.93 0.19 1.54 -0.04 -1.26 -4.85 135.00 130.54 1ssk n PRO 51 Ca -0.19 -0.57 0.04 0.00 -0.04 0.00 0.00 63.50 62.74 1ssk n PRO 51 Cb 0.54 -1.42 0.42 0.00 -0.04 0.00 0.00 33.50 33.00 1ssk n PRO 51 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ssk h ILE 52 N -2.52 1.19 -2.78 0.52 2.04 -1.90 -3.48 117.51 110.58 1ssk h ILE 52 Ca -0.25 -0.91 0.34 0.00 1.00 0.00 0.00 64.86 65.04 1ssk h ILE 52 Cb 0.76 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 38.20 1ssk h ILE 52 CO 0.16 0.26 -0.48 0.59 0.00 0.00 0.00 178.15 178.68 1ssk n ASN 53 N -4.23 -7.39 0.02 1.72 4.13 -1.26 -4.93 115.26 103.32 1ssk n ASN 53 Ca -0.02 0.53 -0.00 0.00 1.68 0.00 0.00 54.58 56.76 1ssk n ASN 53 Cb 0.31 -3.78 -0.00 0.00 -1.54 0.00 0.00 39.78 34.77 1ssk n ASN 53 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1ssk n THR 54 N -3.82 0.64 -2.39 3.41 5.66 -1.26 -4.98 114.28 111.55 1ssk n THR 54 Ca 0.00 0.22 -0.02 0.00 -3.05 0.00 0.00 64.05 61.20 1ssk n THR 54 Cb 0.57 -1.34 0.02 0.00 -1.55 0.00 0.00 70.33 68.02 1ssk n THR 54 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ssk n ASN 55 N -3.04 -0.33 -2.19 1.09 3.02 -1.26 -4.94 115.26 107.61 1ssk n ASN 55 Ca -0.00 -2.06 -0.28 0.00 -0.03 0.00 0.00 54.58 52.21 1ssk n ASN 55 Cb 0.02 0.16 0.10 0.00 -0.61 0.00 0.00 39.78 39.45 1ssk n ASN 55 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ssk n SER 56 N -0.36 6.26 0.00 6.41 7.64 -1.26 -4.74 113.62 127.58 1ssk n SER 56 Ca -0.13 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1ssk n SER 56 Cb 0.86 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1ssk n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ssk n GLY 57 N -0.75 0.44 0.40 0.23 0.00 -1.26 -4.16 105.19 100.09 1ssk n GLY 57 Ca 0.55 0.26 -0.15 0.00 0.00 0.00 0.00 46.02 46.68 1ssk n GLY 57 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ssk h PRO 58 N 0.00 -0.82 -0.12 1.61 0.11 -1.86 -3.31 132.00 127.61 1ssk h PRO 58 Ca 0.00 0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 1ssk h PRO 58 Cb 0.00 0.19 -0.09 0.00 0.11 0.00 0.00 31.00 31.20 1ssk h PRO 58 CO 0.00 -0.55 -0.59 -0.25 -0.21 0.00 0.00 178.00 176.41 1ssk n ASP 59 N -4.85 2.16 -2.79 -2.05 9.92 -1.26 -4.74 116.55 112.94 1ssk n ASP 59 Ca -0.10 -3.76 -0.10 0.00 -0.53 0.00 0.00 54.79 50.30 1ssk n ASP 59 Cb 0.38 -0.49 0.06 0.00 -0.64 0.00 0.00 41.12 40.43 1ssk n ASP 59 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ssk n ASP 60 N -0.96 -0.54 -3.46 -2.24 5.68 -1.25 0.10 116.55 113.89 1ssk n ASP 60 Ca 0.22 -2.91 -0.35 0.00 -0.50 0.00 0.00 54.79 51.25 1ssk n ASP 60 Cb 0.76 0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 41.17 1ssk n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ssk n GLN 61 N -0.07 1.70 -4.21 0.11 6.02 -1.25 -4.18 117.38 115.49 1ssk n GLN 61 Ca 0.08 -1.70 -0.28 0.00 -0.01 0.00 0.00 57.00 55.09 1ssk n GLN 61 Cb 0.77 -2.74 -0.04 0.00 1.02 0.00 0.00 30.24 29.25 1ssk n GLN 61 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1ssk s ILE 62 N 4.43 1.54 -5.00 5.09 -4.36 -1.06 -1.89 121.20 119.94 1ssk s ILE 62 Ca 0.50 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1ssk s ILE 62 Cb 0.13 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1ssk s ILE 62 CO 0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1ssk n GLY 63 N -1.55 0.46 3.83 6.27 0.00 -0.41 -1.03 105.19 112.76 1ssk n GLY 63 Ca -0.08 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 1ssk n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ssk s TYR 64 N -3.10 0.02 -0.06 1.61 -0.85 -1.05 -0.91 117.35 113.01 1ssk s TYR 64 Ca 0.00 -0.48 0.05 0.00 -0.52 0.00 0.00 57.07 56.12 1ssk s TYR 64 Cb 0.00 0.73 -0.01 0.00 0.38 0.00 0.00 41.96 43.06 1ssk s TYR 64 CO 0.00 -1.10 -0.21 0.71 -1.52 0.00 0.00 175.55 173.43 1ssk s TYR 65 N -2.58 2.08 -0.38 -3.49 1.51 -0.73 -0.54 117.35 113.23 1ssk s TYR 65 Ca 0.17 -0.64 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 1ssk s TYR 65 Cb -0.03 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1ssk s TYR 65 CO 0.06 -0.22 0.24 0.50 -1.11 0.00 0.00 175.55 175.03 1ssk s ARG 66 N 0.01 3.06 -0.45 -0.62 3.00 -0.91 -2.51 118.95 120.54 1ssk s ARG 66 Ca -0.06 -0.94 -0.32 0.00 -1.00 0.00 0.00 55.73 53.42 1ssk s ARG 66 Cb -0.13 -3.83 -0.11 0.00 0.00 0.00 0.00 34.95 30.88 1ssk s ARG 66 CO 0.04 -0.64 2.31 -2.13 0.00 0.00 0.00 175.30 174.87 1ssk n ARG 67 N 5.08 1.02 -3.55 5.12 0.63 -0.87 -2.48 116.66 121.61 1ssk n ARG 67 Ca -0.12 0.22 -0.37 0.00 -0.92 0.00 0.00 57.85 56.66 1ssk n ARG 67 Cb 0.47 -2.62 -0.08 0.00 0.45 0.00 0.00 32.46 30.68 1ssk n ARG 67 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ssk s ALA 68 N 8.67 3.60 -0.32 5.13 0.00 0.20 -4.95 121.76 134.09 1ssk s ALA 68 Ca 1.10 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1ssk s ALA 68 Cb -0.71 -2.42 0.09 0.00 0.00 0.00 0.00 23.12 20.07 1ssk s ALA 68 CO 0.43 -0.12 0.01 0.95 0.00 0.00 0.00 175.76 177.03 1ssk s THR 69 N 0.92 2.32 0.04 0.00 -4.23 -1.26 -2.66 115.64 110.77 1ssk s THR 69 Ca 0.13 -2.09 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1ssk s THR 69 Cb -0.13 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1ssk s THR 69 CO 0.05 -0.42 0.16 -0.13 -0.54 0.00 0.00 174.62 173.74 1ssk s ARG 70 N 0.98 3.28 -0.04 3.99 0.52 -1.26 -5.07 118.95 121.36 1ssk s ARG 70 Ca 0.04 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 1ssk s ARG 70 Cb -0.20 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1ssk s ARG 70 CO -0.07 0.62 -0.23 1.03 0.02 0.00 0.00 175.30 176.68 1ssk s ARG 71 N -2.24 2.41 -0.06 3.54 1.81 -1.26 -1.90 118.95 121.25 1ssk s ARG 71 Ca 0.30 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.49 1ssk s ARG 71 Cb -0.13 -2.18 -0.00 0.00 -0.45 0.00 0.00 34.95 32.20 1ssk s ARG 71 CO 0.23 0.49 -0.19 0.14 -0.68 0.00 0.00 175.30 175.29 1ssk s VAL 72 N -0.42 1.57 -1.08 3.52 -7.23 -1.26 -4.85 120.40 110.65 1ssk s VAL 72 Ca 0.04 -0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 59.26 1ssk s VAL 72 Cb -0.12 -1.36 0.12 0.00 0.56 0.00 0.00 36.38 35.58 1ssk s VAL 72 CO 0.01 0.45 1.37 -0.60 -0.31 0.00 0.00 175.10 176.02 1ssk s ARG 73 N 0.17 3.80 0.70 4.82 6.06 -1.26 -2.33 118.95 130.91 1ssk s ARG 73 Ca -0.08 -1.91 -0.12 0.00 -2.50 0.00 0.00 55.73 51.12 1ssk s ARG 73 Cb -0.14 -5.14 0.02 0.00 0.06 0.00 0.00 34.95 29.75 1ssk s ARG 73 CO 0.04 -1.93 1.07 0.20 -2.50 0.00 0.00 175.30 172.18 1ssk s GLY 74 N 3.75 1.78 0.00 8.12 0.00 -0.05 -4.69 107.32 116.23 1ssk s GLY 74 Ca 0.41 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1ssk s GLY 74 CO -0.04 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1ssk n GLY 75 N -1.47 0.80 3.16 0.20 0.00 -1.26 0.31 105.19 106.93 1ssk n GLY 75 Ca 0.08 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 1ssk n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ssk n ASP 76 N -3.60 5.58 -0.04 1.61 8.00 -1.26 -4.29 116.55 122.54 1ssk n ASP 76 Ca 0.00 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1ssk n ASP 76 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.68 1ssk n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ssk n GLY 77 N 2.70 1.40 3.75 0.44 0.00 -1.23 -5.11 105.19 107.14 1ssk n GLY 77 Ca 0.32 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1ssk n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ssk s LYS 78 N -1.29 2.49 -0.28 1.61 2.47 0.15 -4.98 119.74 119.91 1ssk s LYS 78 Ca 0.00 -1.42 0.01 0.00 -1.56 0.00 0.00 55.97 53.01 1ssk s LYS 78 Cb 0.00 -2.27 0.08 0.00 -1.46 0.00 0.00 37.83 34.17 1ssk s LYS 78 CO 0.00 0.19 -0.01 -1.64 0.16 0.00 0.00 175.35 174.05 1ssk s MET 79 N -3.84 1.48 0.03 4.03 -1.94 -1.26 -0.87 119.30 116.92 1ssk s MET 79 Ca 0.37 -1.26 0.07 0.00 -1.71 0.00 0.00 55.69 53.16 1ssk s MET 79 Cb -0.04 -2.67 -0.23 0.00 2.01 0.00 0.00 34.83 33.90 1ssk s MET 79 CO 0.23 -0.75 0.94 0.87 -0.01 0.00 0.00 175.02 176.30 1ssk h LYS 80 N 7.87 0.05 -4.72 2.03 1.57 -1.81 -3.47 116.57 118.10 1ssk h LYS 80 Ca -0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ssk h LYS 80 Cb 1.05 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1ssk h LYS 80 CO 0.45 0.82 -1.07 -1.91 -0.57 0.00 0.00 179.45 177.17 1ssk n GLU 81 N -3.25 -3.37 -1.51 3.15 2.13 -1.25 -4.87 120.64 111.67 1ssk n GLU 81 Ca -0.10 2.69 -0.45 0.00 0.66 0.00 0.00 57.16 59.96 1ssk n GLU 81 Cb 1.01 -4.55 -0.01 0.00 0.27 0.00 0.00 31.44 28.15 1ssk n GLU 81 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ssk n LEU 82 N 0.97 0.68 -4.60 4.31 7.94 -0.80 -4.77 117.00 120.74 1ssk n LEU 82 Ca -0.17 1.10 -0.47 0.00 -1.11 0.00 0.00 56.01 55.37 1ssk n LEU 82 Cb 0.26 -1.17 -0.05 0.00 0.53 0.00 0.00 43.42 42.99 1ssk n LEU 82 CO 0.36 -2.12 1.70 -1.20 -1.11 0.00 0.00 177.39 175.02 1ssk n SER 83 N 1.40 3.15 -4.50 1.96 7.64 -1.26 -4.62 113.62 117.38 1ssk n SER 83 Ca 0.12 0.58 -0.44 0.00 1.01 0.00 0.00 58.87 60.14 1ssk n SER 83 Cb 0.32 -1.42 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 1ssk n SER 83 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1ssk n PRO 84 N 7.82 0.76 -3.52 1.43 -0.02 -1.26 -4.92 135.00 135.28 1ssk n PRO 84 Ca 0.29 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1ssk n PRO 84 Cb 0.34 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1ssk n PRO 84 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ssk s ARG 85 N -1.47 0.93 -0.20 -0.52 1.70 -1.09 -2.64 118.95 115.66 1ssk s ARG 85 Ca 0.62 0.09 -0.06 0.00 -0.47 0.00 0.00 55.73 55.90 1ssk s ARG 85 Cb -0.70 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.09 1ssk s ARG 85 CO 0.58 -0.32 0.04 -1.58 -1.08 0.00 0.00 175.30 172.94 1ssk s TRP 86 N -1.65 3.12 0.11 5.89 0.52 -0.79 0.63 118.94 126.77 1ssk s TRP 86 Ca -0.06 -0.22 -0.23 0.00 0.02 0.00 0.00 56.10 55.61 1ssk s TRP 86 Cb -0.00 -2.11 -0.07 0.00 -1.15 0.00 0.00 33.47 30.14 1ssk s TRP 86 CO 0.03 -0.10 0.71 0.71 0.02 0.00 0.00 176.95 178.32 1ssk s TYR 87 N 0.86 3.84 0.42 -1.98 2.02 -1.03 -1.58 117.35 119.90 1ssk s TYR 87 Ca 0.02 1.48 -0.25 0.00 -0.37 0.00 0.00 57.07 57.96 1ssk s TYR 87 Cb -0.14 -2.69 -0.08 0.00 -0.40 0.00 0.00 41.96 38.65 1ssk s TYR 87 CO 0.02 0.49 1.21 0.12 -1.57 0.00 0.00 175.55 175.82 1ssk s PHE 88 N -0.90 2.92 -0.43 2.71 5.36 -1.11 -2.15 117.98 124.38 1ssk s PHE 88 Ca 0.34 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.83 1ssk s PHE 88 Cb -0.21 -3.48 0.14 0.00 -0.34 0.00 0.00 43.02 39.13 1ssk s PHE 88 CO 0.23 -1.64 0.25 -0.47 -1.46 0.00 0.00 175.22 172.14 1ssk s TYR 89 N -1.40 1.67 0.88 10.12 5.04 0.30 -4.93 117.35 129.02 1ssk s TYR 89 Ca 0.59 -2.26 -0.13 0.00 -2.44 0.00 0.00 57.07 52.83 1ssk s TYR 89 Cb -0.32 -1.60 0.03 0.00 0.35 0.00 0.00 41.96 40.41 1ssk s TYR 89 CO 0.41 -0.79 0.55 2.48 -1.34 0.00 0.00 175.55 176.86 1ssk n TYR 90 N 3.54 -0.92 -3.56 4.97 0.18 -1.26 -2.54 117.16 117.56 1ssk n TYR 90 Ca 0.12 0.29 -0.17 0.00 1.88 0.00 0.00 57.90 60.02 1ssk n TYR 90 Cb 0.36 -1.86 -0.06 0.00 -0.38 0.00 0.00 39.34 37.40 1ssk n TYR 90 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ssk s LEU 91 N -1.59 -0.69 0.00 -3.48 1.43 -0.19 -4.84 118.68 109.32 1ssk s LEU 91 Ca 0.61 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1ssk s LEU 91 Cb -0.25 2.51 0.00 0.00 0.03 0.00 0.00 46.19 48.48 1ssk s LEU 91 CO 0.63 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1ssk n GLY 92 N 1.55 -1.33 2.05 -3.19 0.00 -1.26 -2.58 105.19 100.43 1ssk n GLY 92 Ca -0.17 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1ssk n GLY 92 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ssk n THR 93 N 0.00 0.00 -0.01 2.61 -2.24 -1.24 -4.75 114.28 108.65 1ssk n THR 93 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1ssk n THR 93 Cb 0.00 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 1ssk n THR 93 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ssk h GLY 94 N 0.00 -0.81 0.00 3.38 0.00 -1.85 -3.40 103.07 100.40 1ssk h GLY 94 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1ssk h GLY 94 CO 0.00 -0.21 0.00 -1.05 0.00 0.00 0.00 176.54 175.28 1ssk n PRO 95 N -5.44 2.08 -0.10 4.80 -0.02 -1.26 -4.80 135.00 130.26 1ssk n PRO 95 Ca -0.04 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.36 1ssk n PRO 95 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.79 1ssk n PRO 95 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ssk h GLU 96 N 0.00 -0.17 -4.03 -0.52 3.07 -1.95 -3.44 114.58 107.54 1ssk h GLU 96 Ca 0.00 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.72 1ssk h GLU 96 Cb 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1ssk h GLU 96 CO 0.00 -0.12 -0.19 0.00 -1.40 0.00 0.00 179.01 177.31 1ssk n ALA 97 N -2.95 -0.79 -0.10 3.43 0.00 -1.26 -4.77 120.51 114.07 1ssk n ALA 97 Ca -0.01 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1ssk n ALA 97 Cb 0.18 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1ssk n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ssk n SER 98 N -1.50 1.98 -4.20 0.00 2.88 -1.26 -4.96 113.62 106.55 1ssk n SER 98 Ca -0.09 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.04 1ssk n SER 98 Cb 0.54 -0.48 0.11 0.00 -0.75 0.00 0.00 64.21 63.63 1ssk n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ssk n LEU 99 N -3.29 -2.56 0.00 2.46 4.32 -1.26 -4.82 117.00 111.84 1ssk n LEU 99 Ca -0.43 0.04 0.08 0.00 -0.02 0.00 0.00 56.01 55.68 1ssk n LEU 99 Cb 1.00 -0.87 0.48 0.00 -1.62 0.00 0.00 43.42 42.42 1ssk n LEU 99 CO 0.30 -3.47 0.74 -0.81 -1.22 0.00 0.00 177.39 172.92 1ssk n PRO 100 N -0.27 0.78 -2.85 3.23 -0.04 -1.26 -4.92 135.00 129.67 1ssk n PRO 100 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1ssk n PRO 100 Cb 0.63 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1ssk n PRO 100 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ssk n TYR 101 N -0.83 -2.95 0.00 0.54 9.36 -1.26 -4.66 117.16 117.37 1ssk n TYR 101 Ca 0.12 1.15 0.00 0.00 3.32 0.00 0.00 57.90 62.50 1ssk n TYR 101 Cb 0.06 -3.90 0.00 0.00 -0.63 0.00 0.00 39.34 34.86 1ssk n TYR 101 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ssk n GLY 102 N -1.12 1.92 3.58 2.98 0.00 -1.26 -5.03 105.19 106.26 1ssk n GLY 102 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1ssk n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssk s ALA 103 N -2.00 1.05 0.25 4.61 0.00 -1.26 -4.90 121.76 119.51 1ssk s ALA 103 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 1ssk s ALA 103 Cb 0.00 -4.69 -0.15 0.00 0.00 0.00 0.00 23.12 18.28 1ssk s ALA 103 CO 0.00 -6.19 0.98 -1.71 0.00 0.00 0.00 175.76 168.84 1ssk n ASN 104 N 17.38 0.99 -1.69 0.00 5.15 -1.26 -4.94 115.26 130.90 1ssk n ASN 104 Ca 0.43 1.17 -0.06 0.00 -0.60 0.00 0.00 54.58 55.52 1ssk n ASN 104 Cb 0.47 -1.23 -0.02 0.00 -0.53 0.00 0.00 39.78 38.47 1ssk n ASN 104 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1ssk n LYS 105 N 0.98 0.19 0.00 1.20 4.81 -1.25 -5.06 118.16 119.03 1ssk n LYS 105 Ca 0.12 -1.00 -0.01 0.00 -0.87 0.00 0.00 58.31 56.55 1ssk n LYS 105 Cb 0.29 0.89 -0.00 0.00 0.02 0.00 0.00 35.03 36.23 1ssk n LYS 105 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ssk h GLU 106 N 0.00 -0.06 -0.93 1.64 4.81 -2.03 -3.37 114.58 114.64 1ssk h GLU 106 Ca -0.08 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.81 1ssk h GLU 106 Cb 0.39 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 29.58 1ssk h GLU 106 CO 0.12 -0.04 0.43 0.41 -0.73 0.00 0.00 179.01 179.20 1ssk n GLY 107 N 1.60 3.79 3.06 1.92 0.00 -1.26 -4.88 105.19 109.42 1ssk n GLY 107 Ca -0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1ssk n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ssk s ILE 108 N -2.66 1.27 -0.30 -0.61 1.01 -1.26 -2.05 121.20 116.60 1ssk s ILE 108 Ca 0.47 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1ssk s ILE 108 Cb 0.38 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.77 1ssk s ILE 108 CO 0.10 0.38 -0.02 -0.69 0.00 0.00 0.00 174.94 174.71 1ssk s VAL 109 N 0.49 2.81 0.37 2.92 1.01 -1.04 -3.93 120.40 123.02 1ssk s VAL 109 Ca -0.13 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.23 1ssk s VAL 109 Cb -0.15 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 1ssk s VAL 109 CO 0.04 -0.12 0.78 0.26 0.00 0.00 0.00 175.10 176.06 1ssk s TRP 110 N 1.21 3.40 -0.28 5.22 0.52 -1.26 -1.77 118.94 125.98 1ssk s TRP 110 Ca -0.05 1.22 -0.18 0.00 0.02 0.00 0.00 56.10 57.11 1ssk s TRP 110 Cb -0.20 -2.56 0.10 0.00 -1.15 0.00 0.00 33.47 29.67 1ssk s TRP 110 CO -0.02 -0.01 0.83 0.54 0.02 0.00 0.00 176.95 178.31 1ssk s VAL 111 N -2.14 0.00 0.08 4.03 0.11 -0.09 -4.96 120.40 117.43 1ssk s VAL 111 Ca 0.54 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.69 1ssk s VAL 111 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1ssk s VAL 111 CO 0.21 0.00 -0.25 0.00 -3.33 0.00 0.00 175.10 171.73 1ssk s ALA 112 N 1.19 2.17 1.20 1.54 0.00 -1.26 -1.29 121.76 125.31 1ssk s ALA 112 Ca -0.07 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 1ssk s ALA 112 Cb -0.05 -0.39 0.30 0.00 0.00 0.00 0.00 23.12 22.98 1ssk s ALA 112 CO -0.14 0.49 1.01 -0.08 0.00 0.00 0.00 175.76 177.05 1ssk s THR 113 N -0.94 1.94 -0.66 0.00 -1.32 -0.79 -4.77 115.64 109.10 1ssk s THR 113 Ca 0.11 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.35 1ssk s THR 113 Cb -0.10 -2.07 -0.20 0.00 -1.51 0.00 0.00 72.50 68.63 1ssk s THR 113 CO 0.04 0.00 1.87 -0.62 -2.21 0.00 0.00 174.62 173.69 1ssk n GLU 114 N -5.02 1.21 -0.65 7.08 1.02 -1.26 -4.01 120.64 119.01 1ssk n GLU 114 Ca 0.03 -1.72 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1ssk n GLU 114 Cb 0.55 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1ssk n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ssk n GLY 115 N 4.71 -0.29 3.69 0.62 0.00 -1.26 -5.02 105.19 107.64 1ssk n GLY 115 Ca 0.49 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ssk n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssk s ALA 116 N -0.32 3.52 -0.22 4.61 0.00 -1.26 -4.92 121.76 123.18 1ssk s ALA 116 Ca 0.00 0.74 0.21 0.00 0.00 0.00 0.00 51.96 52.92 1ssk s ALA 116 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1ssk s ALA 116 CO 0.00 -0.79 1.03 1.25 0.00 0.00 0.00 175.76 177.26 1ssk h LEU 117 N 8.11 0.00 -2.09 0.00 5.85 0.30 -3.48 115.31 123.99 1ssk h LEU 117 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1ssk h LEU 117 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1ssk h LEU 117 CO 0.88 0.12 -0.27 0.59 -0.34 0.00 0.00 178.44 179.42 1ssk n ASN 118 N -2.75 -3.44 -3.89 1.25 3.02 -0.87 -4.98 115.26 103.61 1ssk n ASN 118 Ca -0.02 0.43 -0.09 0.00 -0.03 0.00 0.00 54.58 54.88 1ssk n ASN 118 Cb 0.61 -2.04 -0.08 0.00 -0.61 0.00 0.00 39.78 37.66 1ssk n ASN 118 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ssk s THR 119 N -0.15 0.14 0.12 3.41 -4.23 -1.26 -4.94 115.64 108.74 1ssk s THR 119 Ca -0.01 -1.19 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 1ssk s THR 119 Cb 0.00 -1.22 -0.06 0.00 1.34 0.00 0.00 72.50 72.56 1ssk s THR 119 CO 0.04 -0.66 0.97 -2.16 -0.54 0.00 0.00 174.62 172.27 1ssk s PRO 120 N -3.46 4.70 0.00 3.99 0.04 -1.26 -3.45 135.00 135.56 1ssk s PRO 120 Ca 0.02 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1ssk s PRO 120 Cb 0.03 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1ssk s PRO 120 CO -0.09 0.22 0.00 1.63 0.04 0.00 0.00 177.00 178.80 1ssk n LYS 121 N 2.68 0.00 -4.81 4.56 5.02 -1.26 -4.83 118.16 119.52 1ssk n LYS 121 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1ssk n LYS 121 Cb 0.49 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.33 1ssk n LYS 121 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ssk s ASP 122 N 0.00 3.04 0.00 4.39 2.15 -1.26 -4.39 116.67 120.60 1ssk s ASP 122 Ca 0.00 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.40 1ssk s ASP 122 Cb 0.00 -1.40 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 1ssk s ASP 122 CO 0.00 0.10 0.00 0.00 -0.17 0.00 0.00 175.17 175.10 1ssk n HIS 123 N 3.92 0.00 -3.96 -5.34 1.44 -1.26 -4.95 115.22 105.06 1ssk n HIS 123 Ca -0.20 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.40 1ssk n HIS 123 Cb 0.52 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.60 1ssk n HIS 123 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1ssk n ILE 124 N 0.00 0.00 -2.57 0.61 -0.00 -1.26 -4.93 119.36 111.21 1ssk n ILE 124 Ca 0.00 -1.36 -0.13 0.00 -0.00 0.00 0.00 62.75 61.25 1ssk n ILE 124 Cb 0.00 0.81 0.01 0.00 -0.00 0.00 0.00 39.64 40.47 1ssk n ILE 124 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ssk n GLY 125 N -0.43 -0.08 2.43 3.28 0.00 -1.26 -4.97 105.19 104.16 1ssk n GLY 125 Ca 0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1ssk n GLY 125 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ssk n THR 126 N -4.01 -0.91 -1.36 2.61 5.66 -1.26 -4.47 114.28 110.54 1ssk n THR 126 Ca -0.09 -3.08 -0.35 0.00 -3.05 0.00 0.00 64.05 57.48 1ssk n THR 126 Cb 0.59 -1.18 -0.05 0.00 -1.55 0.00 0.00 70.33 68.14 1ssk n THR 126 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ssk n ARG 127 N 2.57 3.56 -1.70 1.09 0.63 -1.26 -4.76 116.66 116.79 1ssk n ARG 127 Ca 0.26 -2.19 -0.42 0.00 -0.92 0.00 0.00 57.85 54.57 1ssk n ARG 127 Cb 0.51 -2.65 -0.03 0.00 0.45 0.00 0.00 32.46 30.73 1ssk n ARG 127 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1ssk n ASN 128 N 3.14 4.00 -4.39 6.15 5.15 -1.20 -4.06 115.26 124.04 1ssk n ASN 128 Ca 0.71 1.02 -0.18 0.00 -0.60 0.00 0.00 54.58 55.53 1ssk n ASN 128 Cb 0.33 -1.55 -0.11 0.00 -0.53 0.00 0.00 39.78 37.92 1ssk n ASN 128 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1ssk n PRO 129 N 4.97 0.07 0.00 1.20 -0.02 -1.26 -1.29 135.00 138.67 1ssk n PRO 129 Ca 0.17 -1.53 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 1ssk n PRO 129 Cb 0.36 -3.61 0.00 0.00 -0.02 0.00 0.00 33.50 30.23 1ssk n PRO 129 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ssk n ASN 130 N 17.77 0.00 0.00 2.55 4.13 -1.26 -5.04 115.26 133.41 1ssk n ASN 130 Ca 0.40 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1ssk n ASN 130 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1ssk n ASN 130 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ssk n ASN 131 N 0.00 0.00 -3.60 6.41 4.13 -0.41 -5.05 115.26 116.74 1ssk n ASN 131 Ca 0.00 0.64 -0.04 0.00 1.68 0.00 0.00 54.58 56.86 1ssk n ASN 131 Cb 0.00 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 37.74 1ssk n ASN 131 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1ssk s ASN 132 N -2.64 -0.13 0.37 6.41 -0.87 -1.26 -5.09 114.94 111.73 1ssk s ASN 132 Ca 0.00 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 1ssk s ASN 132 Cb 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.38 1ssk s ASN 132 CO 0.00 -0.24 0.00 0.00 -2.57 0.00 0.00 177.10 174.29 1ssk n ALA 133 N -0.12 0.00 -2.80 0.60 0.00 -1.26 -4.62 120.51 112.32 1ssk n ALA 133 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1ssk n ALA 133 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1ssk n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssk s ALA 134 N -2.15 3.48 0.62 0.00 0.00 -1.26 -4.87 121.76 117.59 1ssk s ALA 134 Ca 0.00 -0.75 0.31 0.00 0.00 0.00 0.00 51.96 51.53 1ssk s ALA 134 Cb 0.00 -2.01 1.73 0.00 0.00 0.00 0.00 23.12 22.84 1ssk s ALA 134 CO 0.00 0.14 2.05 1.15 0.00 0.00 0.00 175.76 179.10 1ssk h THR 135 N 4.84 0.24 -4.01 0.00 2.02 -1.91 -3.43 112.91 110.66 1ssk h THR 135 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1ssk h THR 135 Cb 1.16 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ssk h THR 135 CO 0.71 0.00 -0.39 1.33 0.37 0.00 0.00 175.52 177.54 1ssk n VAL 136 N -3.41 -5.43 -0.92 3.16 0.24 -1.26 -4.90 118.33 105.82 1ssk n VAL 136 Ca 0.01 1.32 -0.37 0.00 -2.04 0.00 0.00 64.34 63.26 1ssk n VAL 136 Cb 0.36 -3.01 0.07 0.00 -1.47 0.00 0.00 33.84 29.79 1ssk n VAL 136 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ssk n LEU 137 N 1.85 -3.24 -3.08 1.34 -0.00 -1.26 -4.85 117.00 107.76 1ssk n LEU 137 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 56.01 56.00 1ssk n LEU 137 Cb 0.00 -0.68 -0.01 0.00 -0.00 0.00 0.00 43.42 42.73 1ssk n LEU 137 CO 0.00 -3.30 0.06 0.00 -0.00 0.00 0.00 177.39 174.15 1ssk s GLN 138 N -2.39 0.89 0.23 1.47 -2.07 -1.26 -4.96 119.66 111.58 1ssk s GLN 138 Ca 0.42 -0.66 -0.29 0.00 -1.82 0.00 0.00 55.36 53.01 1ssk s GLN 138 Cb -0.00 -0.09 -0.16 0.00 -1.09 0.00 0.00 33.01 31.67 1ssk s GLN 138 CO 0.69 -1.25 0.84 1.28 -1.32 0.00 0.00 175.29 175.54 1ssk n LEU 139 N 3.84 0.51 0.00 2.60 4.77 -1.26 -3.54 117.00 123.92 1ssk n LEU 139 Ca 0.14 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 1ssk n LEU 139 Cb 0.55 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1ssk n LEU 139 CO 0.01 -2.02 0.00 -2.65 -1.33 0.00 0.00 177.39 171.40 1ssk n PRO 140 N 0.98 0.28 -0.04 3.23 -0.02 -1.26 -4.85 135.00 133.32 1ssk n PRO 140 Ca 0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.53 1ssk n PRO 140 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.73 1ssk n PRO 140 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ssk h GLN 141 N 0.00 -0.28 0.00 -0.52 4.20 -2.05 -3.42 115.11 113.04 1ssk h GLN 141 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ssk h GLN 141 Cb 0.00 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ssk h GLN 141 CO 0.00 -0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.38 1ssk n GLY 142 N -1.39 0.63 4.15 3.46 0.00 -1.26 -4.82 105.19 105.96 1ssk n GLY 142 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1ssk n GLY 142 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ssk n THR 143 N 0.00 -1.36 0.00 2.61 -1.04 -1.26 -4.93 114.28 108.30 1ssk n THR 143 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1ssk n THR 143 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 1ssk n THR 143 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ssk n THR 144 N -4.45 0.00 -4.19 12.58 -1.04 -1.26 -4.73 114.28 111.19 1ssk n THR 144 Ca 0.05 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.79 1ssk n THR 144 Cb 0.51 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.95 1ssk n THR 144 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ssk s LEU 145 N 0.00 3.38 0.00 -4.42 1.43 -1.26 -4.10 118.68 113.71 1ssk s LEU 145 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1ssk s LEU 145 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1ssk s LEU 145 CO 0.00 0.08 0.00 -2.65 0.23 0.00 0.00 176.35 174.01 1ssk n PRO 146 N -0.18 2.30 0.00 1.29 -0.02 -1.26 -4.85 135.00 132.28 1ssk n PRO 146 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1ssk n PRO 146 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1ssk n PRO 146 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ssk n LYS 147 N 0.00 0.00 -3.79 -0.52 3.00 -1.26 -4.29 118.16 111.30 1ssk n LYS 147 Ca 0.00 0.11 -0.28 0.00 -0.00 0.00 0.00 58.31 58.15 1ssk n LYS 147 Cb 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 35.03 34.25 1ssk n LYS 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ssk n GLY 148 N -0.28 4.00 3.50 3.14 0.00 -1.26 -5.04 105.19 109.25 1ssk n GLY 148 Ca 0.00 -2.52 -0.27 0.00 0.00 0.00 0.00 46.02 43.23 1ssk n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ssk s PHE 149 N -1.52 2.47 -0.15 1.61 0.40 -1.26 0.10 117.98 119.63 1ssk s PHE 149 Ca 0.28 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1ssk s PHE 149 Cb -0.00 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1ssk s PHE 149 CO -0.15 0.52 -0.14 -0.47 0.70 0.00 0.00 175.22 175.68 1ssk s TYR 150 N -1.76 2.80 1.02 0.36 5.04 0.55 -4.90 117.35 120.47 1ssk s TYR 150 Ca 0.24 -0.91 -0.20 0.00 -2.44 0.00 0.00 57.07 53.75 1ssk s TYR 150 Cb -0.08 -1.89 -0.07 0.00 0.35 0.00 0.00 41.96 40.27 1ssk s TYR 150 CO 0.13 -0.40 -0.64 0.00 -1.34 0.00 0.00 175.55 173.30 1ssk n ALA 151 N 3.94 -4.77 -0.36 3.97 0.00 -1.26 -1.34 120.51 120.69 1ssk n ALA 151 Ca -0.19 -1.03 0.31 0.00 0.00 0.00 0.00 53.44 52.53 1ssk n ALA 151 Cb 0.52 -1.24 0.53 0.00 0.00 0.00 0.00 19.45 19.26 1ssk n ALA 151 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ssk n GLU 152 N 0.69 -0.03 0.00 0.00 -0.00 -1.26 -3.87 120.64 116.17 1ssk n GLU 152 Ca 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 57.16 58.17 1ssk n GLU 152 Cb 0.63 -1.96 0.00 0.00 -0.00 0.00 0.00 31.44 30.11 1ssk n GLU 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ssk n GLY 153 N -1.38 2.56 3.24 -1.84 0.00 -1.26 -3.78 105.19 102.73 1ssk n GLY 153 Ca 0.32 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1ssk n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ssk n SER 154 N 0.00 -6.65 -4.53 1.61 3.41 -1.26 -4.73 113.62 101.47 1ssk n SER 154 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.14 1ssk n SER 154 Cb 0.00 -3.56 -0.05 0.00 -0.26 0.00 0.00 64.21 60.34 1ssk n SER 154 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ssk n ARG 155 N -0.79 1.53 -1.74 4.33 5.12 -1.26 -4.82 116.66 119.04 1ssk n ARG 155 Ca -0.03 0.42 -0.19 0.00 -1.93 0.00 0.00 57.85 56.13 1ssk n ARG 155 Cb 0.58 -2.82 -0.06 0.00 -1.16 0.00 0.00 32.46 28.99 1ssk n ARG 155 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ssk s GLY 156 N 7.63 -0.46 0.00 -0.13 0.00 -1.26 -4.36 107.32 108.74 1ssk s GLY 156 Ca 1.05 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1ssk s GLY 156 CO 0.43 3.96 0.00 0.61 0.00 0.00 0.00 173.10 178.10 1ssk n GLY 157 N 6.79 2.52 0.00 0.20 0.00 -1.26 -5.34 105.19 108.10 1ssk n GLY 157 Ca 0.44 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.83 1ssk n GLY 157 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76