#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kll n SER 1 N 0.00 -4.60 -0.79 1.61 7.64 -1.25 -4.70 113.62 111.53 2kll n SER 1 Ca 0.00 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2kll n SER 1 Cb 0.00 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.65 2kll n SER 1 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kll n SER 2 N -2.98 -5.14 0.00 6.43 7.64 -1.19 -4.64 113.62 113.74 2kll n SER 2 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kll n SER 2 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2kll n SER 2 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2kll n ILE 3 N -1.59 0.00 -3.10 0.44 5.41 -1.26 -4.89 119.36 114.37 2kll n ILE 3 Ca 0.00 0.26 -0.16 0.00 1.00 0.00 0.00 62.75 63.85 2kll n ILE 3 Cb 0.00 -0.55 -0.05 0.00 -0.71 0.00 0.00 39.64 38.33 2kll n ILE 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2kll s THR 4 N -0.33 -0.32 -1.32 1.39 -4.23 -1.26 -4.95 115.64 104.62 2kll s THR 4 Ca 0.00 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2kll s THR 4 Cb 0.00 -0.64 0.01 0.00 1.34 0.00 0.00 72.50 73.21 2kll s THR 4 CO 0.00 -0.63 0.88 0.61 -0.54 0.00 0.00 174.62 174.93 2kll n GLY 5 N 2.95 -0.37 3.84 3.99 0.00 -1.26 -4.97 105.19 109.38 2kll n GLY 5 Ca 0.24 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 2kll n GLY 5 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kll s ILE 6 N -3.49 4.63 0.10 -0.61 -4.36 -1.26 -5.09 121.20 111.11 2kll s ILE 6 Ca 0.17 1.04 0.09 0.00 -0.26 0.00 0.00 60.65 61.70 2kll s ILE 6 Cb -0.08 -3.61 -0.03 0.00 1.25 0.00 0.00 42.46 39.98 2kll s ILE 6 CO 0.78 -0.22 -0.24 -0.94 0.24 0.00 0.00 174.94 174.57 2kll s SER 7 N -2.27 2.95 0.33 4.36 1.04 -1.26 -5.02 113.70 113.83 2kll s SER 7 Ca 0.56 -0.67 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 2kll s SER 7 Cb -0.10 -0.21 -0.10 0.00 0.10 0.00 0.00 66.02 65.71 2kll s SER 7 CO 0.17 0.16 1.36 -2.16 0.98 0.00 0.00 173.24 173.74 2kll s PRO 8 N -1.75 4.30 -0.17 4.02 0.04 -1.26 -4.28 135.00 135.89 2kll s PRO 8 Ca 0.11 2.30 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 2kll s PRO 8 Cb -0.10 -3.06 -0.22 0.00 0.04 0.00 0.00 34.50 31.17 2kll s PRO 8 CO 0.04 -0.29 0.23 -0.89 0.04 0.00 0.00 177.00 176.14 2kll n ILE 9 N 0.96 1.65 -3.62 0.56 5.41 -0.64 -5.01 119.36 118.67 2kll n ILE 9 Ca 0.01 -0.35 -0.13 0.00 1.00 0.00 0.00 62.75 63.28 2kll n ILE 9 Cb 0.41 -1.87 -0.07 0.00 -0.71 0.00 0.00 39.64 37.40 2kll n ILE 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kll s THR 10 N -2.47 0.00 -0.08 1.39 -1.32 -1.26 -4.99 115.64 106.91 2kll s THR 10 Ca -0.27 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.22 2kll s THR 10 Cb 0.07 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2kll s THR 10 CO 0.67 0.00 -0.08 -1.61 -2.21 0.00 0.00 174.62 171.39 2kll s GLU 11 N 0.05 1.40 0.14 7.08 2.02 -1.26 -1.22 118.70 126.92 2kll s GLU 11 Ca -0.00 -0.25 -0.13 0.00 0.02 0.00 0.00 54.97 54.60 2kll s GLU 11 Cb -0.04 -1.36 0.02 0.00 0.10 0.00 0.00 34.13 32.84 2kll s GLU 11 CO -0.00 -0.14 0.36 1.52 0.02 0.00 0.00 175.26 177.01 2kll s TYR 12 N 1.26 0.02 0.05 1.61 1.13 -0.58 -5.01 117.35 115.84 2kll s TYR 12 Ca -0.04 -0.38 -0.28 0.00 -1.41 0.00 0.00 57.07 54.96 2kll s TYR 12 Cb -0.14 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.83 2kll s TYR 12 CO -0.03 -0.72 0.89 -0.51 -2.51 0.00 0.00 175.55 172.66 2kll s LEU 13 N -2.87 4.44 -0.24 -3.49 2.01 -1.26 -0.77 118.68 116.51 2kll s LEU 13 Ca 0.08 1.61 -0.18 0.00 0.01 0.00 0.00 54.13 55.65 2kll s LEU 13 Cb 0.02 -3.44 0.07 0.00 0.01 0.00 0.00 46.19 42.85 2kll s LEU 13 CO -0.07 -0.08 0.61 0.00 1.01 0.00 0.00 176.35 177.82 2kll s ALA 14 N 0.25 -1.56 -0.08 4.21 0.00 -0.03 -4.37 121.76 120.18 2kll s ALA 14 Ca 0.45 1.91 -0.13 0.00 0.00 0.00 0.00 51.96 54.18 2kll s ALA 14 Cb -0.22 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2kll s ALA 14 CO 0.26 -0.31 0.32 -1.54 0.00 0.00 0.00 175.76 174.49 2kll s SER 15 N 0.84 6.60 -0.25 0.00 1.04 -1.26 -0.48 113.70 120.18 2kll s SER 15 Ca -0.04 0.71 -0.29 0.00 0.48 0.00 0.00 55.95 56.80 2kll s SER 15 Cb -0.05 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2kll s SER 15 CO -0.07 0.25 1.19 -0.76 0.98 0.00 0.00 173.24 174.83 2kll s LEU 16 N -0.46 4.03 -0.09 2.42 2.01 -1.26 -4.32 118.68 121.00 2kll s LEU 16 Ca 0.20 1.35 0.02 0.00 0.01 0.00 0.00 54.13 55.71 2kll s LEU 16 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.53 2kll s LEU 16 CO 0.08 -0.86 -0.16 -0.94 1.01 0.00 0.00 176.35 175.48 2kll s SER 17 N 1.97 2.34 1.23 2.29 1.04 -0.48 -1.00 113.70 121.08 2kll s SER 17 Ca 0.51 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.39 2kll s SER 17 Cb -0.17 -1.07 0.21 0.00 0.10 0.00 0.00 66.02 65.10 2kll s SER 17 CO 0.15 0.06 0.60 0.35 0.98 0.00 0.00 173.24 175.38 2kll n THR 18 N 3.88 0.00 0.41 2.02 -2.24 0.11 0.28 114.28 118.75 2kll n THR 18 Ca -0.21 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.55 2kll n THR 18 Cb 0.52 -0.87 0.27 0.00 -2.10 0.00 0.00 70.33 68.16 2kll n THR 18 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2kll h TYR 19 N -2.65 0.00 -0.43 4.78 3.20 -1.72 -3.23 116.97 116.92 2kll h TYR 19 Ca -0.25 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.41 2kll h TYR 19 Cb 0.79 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.94 2kll h TYR 19 CO 0.00 0.00 0.27 -1.71 -1.64 0.00 0.00 178.16 175.08 2kll n ASN 20 N -2.69 3.32 -1.01 -2.11 2.85 -1.26 -4.81 115.26 109.55 2kll n ASN 20 Ca 0.05 -2.70 -0.13 0.00 -0.11 0.00 0.00 54.58 51.69 2kll n ASN 20 Cb 0.48 -0.65 -0.06 0.00 1.24 0.00 0.00 39.78 40.80 2kll n ASN 20 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kll n ASP 21 N -0.19 -5.53 -4.93 1.20 9.92 -1.22 -4.94 116.55 110.87 2kll n ASP 21 Ca 0.26 0.32 -0.25 0.00 -0.53 0.00 0.00 54.79 54.58 2kll n ASP 21 Cb 1.00 -4.26 -0.01 0.00 -0.64 0.00 0.00 41.12 37.21 2kll n ASP 21 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kll s GLN 22 N -3.07 3.51 0.09 -1.24 -0.21 -1.26 -4.21 119.66 113.28 2kll s GLN 22 Ca 0.00 -0.16 0.10 0.00 0.02 0.00 0.00 55.36 55.32 2kll s GLN 22 Cb 0.00 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 2kll s GLN 22 CO 0.00 0.05 -0.26 -1.12 -2.12 0.00 0.00 175.29 171.84 2kll s SER 23 N -3.99 3.15 -0.35 5.90 0.01 -0.66 0.07 113.70 117.83 2kll s SER 23 Ca 0.42 -0.68 -0.24 0.00 1.31 0.00 0.00 55.95 56.76 2kll s SER 23 Cb -0.10 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.91 2kll s SER 23 CO 0.38 0.20 0.84 -0.63 0.41 0.00 0.00 173.24 174.44 2kll s ILE 24 N -0.96 4.69 -0.19 1.44 -1.09 -0.17 -0.96 121.20 123.95 2kll s ILE 24 Ca 0.12 1.09 -0.14 0.00 -2.23 0.00 0.00 60.65 59.49 2kll s ILE 24 Cb -0.10 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2kll s ILE 24 CO 0.04 -0.42 0.30 -0.89 -1.23 0.00 0.00 174.94 172.74 2kll s THR 25 N 3.20 5.28 -0.70 2.92 2.01 -0.11 -4.68 115.64 123.57 2kll s THR 25 Ca 0.34 0.51 -0.09 0.00 0.31 0.00 0.00 61.69 62.77 2kll s THR 25 Cb -0.13 -3.63 0.18 0.00 0.01 0.00 0.00 72.50 68.93 2kll s THR 25 CO 0.16 0.33 0.58 -0.36 -0.69 0.00 0.00 174.62 174.65 2kll s PHE 26 N 0.89 3.57 -0.59 4.92 0.08 -1.26 -1.71 117.98 123.88 2kll s PHE 26 Ca 0.15 -2.24 -0.28 0.00 0.12 0.00 0.00 56.93 54.68 2kll s PHE 26 Cb -0.14 -3.54 0.03 0.00 -0.57 0.00 0.00 43.02 38.81 2kll s PHE 26 CO 0.05 -0.93 1.21 0.00 -0.10 0.00 0.00 175.22 175.45 2kll s ALA 27 N 0.25 2.97 -0.55 5.36 0.00 0.43 -4.98 121.76 125.24 2kll s ALA 27 Ca 0.16 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 2kll s ALA 27 Cb -0.17 -4.05 0.10 0.00 0.00 0.00 0.00 23.12 19.00 2kll s ALA 27 CO -0.05 -2.71 0.61 -0.51 0.00 0.00 0.00 175.76 173.09 2kll s LEU 28 N 5.08 5.51 0.00 0.00 1.43 -1.26 -1.88 118.68 127.56 2kll s LEU 28 Ca 0.43 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 2kll s LEU 28 Cb -0.08 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.88 2kll s LEU 28 CO 0.25 -0.97 0.23 -0.62 0.23 0.00 0.00 176.35 175.47 2kll n GLU 29 N 5.94 -0.16 -0.33 1.70 1.02 -0.94 -4.93 120.64 122.95 2kll n GLU 29 Ca -0.10 -0.37 0.14 0.00 -0.02 0.00 0.00 57.16 56.81 2kll n GLU 29 Cb 0.43 -0.23 0.34 0.00 -0.02 0.00 0.00 31.44 31.95 2kll n GLU 29 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kll h ASP 30 N -0.28 0.57 0.00 1.62 3.58 -2.06 -3.35 116.42 116.50 2kll h ASP 30 Ca -0.07 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kll h ASP 30 Cb 0.21 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2kll h ASP 30 CO 0.05 0.11 0.00 -1.84 -2.88 0.00 0.00 179.24 174.68 2kll n GLU 31 N -4.91 0.00 -3.49 0.28 0.28 -1.26 -5.13 120.64 106.41 2kll n GLU 31 Ca 0.24 -0.01 -0.23 0.00 -0.16 0.00 0.00 57.16 57.00 2kll n GLU 31 Cb 0.66 -0.13 -0.01 0.00 1.43 0.00 0.00 31.44 33.39 2kll n GLU 31 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kll s SER 32 N 0.00 6.23 -0.47 -1.84 0.15 -1.26 -5.08 113.70 111.43 2kll s SER 32 Ca 0.00 0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.97 2kll s SER 32 Cb 0.00 -1.88 0.14 0.00 -1.71 0.00 0.00 66.02 62.57 2kll s SER 32 CO 0.00 -0.29 0.25 -0.31 1.20 0.00 0.00 173.24 174.09 2kll s TYR 33 N -2.25 2.28 -0.14 3.44 2.02 -1.26 -2.22 117.35 119.21 2kll s TYR 33 Ca 0.40 -2.62 -0.09 0.00 -0.37 0.00 0.00 57.07 54.39 2kll s TYR 33 Cb -0.09 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2kll s TYR 33 CO 0.34 -0.77 0.17 -1.21 -1.57 0.00 0.00 175.55 172.52 2kll s GLU 34 N 0.14 3.77 -0.06 -0.62 0.41 -0.79 -5.01 118.70 116.54 2kll s GLU 34 Ca 0.18 -0.10 0.01 0.00 -0.41 0.00 0.00 54.97 54.65 2kll s GLU 34 Cb -0.23 -3.28 0.02 0.00 -1.78 0.00 0.00 34.13 28.86 2kll s GLU 34 CO -0.01 0.58 -0.07 0.42 -0.49 0.00 0.00 175.26 175.70 2kll s ILE 35 N -0.49 0.74 -0.10 -1.63 1.01 -1.26 -0.43 121.20 119.05 2kll s ILE 35 Ca 0.14 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 2kll s ILE 35 Cb -0.12 -0.74 0.03 0.00 0.01 0.00 0.00 42.46 41.63 2kll s ILE 35 CO 0.03 0.28 0.30 -0.72 0.00 0.00 0.00 174.94 174.83 2kll s TYR 36 N 1.00 -0.30 -0.12 3.97 1.13 -0.69 -4.41 117.35 117.92 2kll s TYR 36 Ca -0.09 0.71 -0.23 0.00 -1.41 0.00 0.00 57.07 56.05 2kll s TYR 36 Cb -0.14 0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 2kll s TYR 36 CO -0.00 -0.20 0.69 0.08 -2.51 0.00 0.00 175.55 173.61 2kll s VAL 37 N -0.12 5.02 0.31 -3.49 1.01 -0.39 -0.93 120.40 121.80 2kll s VAL 37 Ca -0.03 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.41 2kll s VAL 37 Cb -0.03 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2kll s VAL 37 CO 0.01 0.18 0.21 -1.61 0.00 0.00 0.00 175.10 173.89 2kll s GLU 38 N 1.31 2.66 -0.12 2.72 2.02 -0.13 -4.93 118.70 122.23 2kll s GLU 38 Ca 0.35 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 53.98 2kll s GLU 38 Cb -0.17 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2kll s GLU 38 CO 0.15 0.20 0.09 -0.51 0.02 0.00 0.00 175.26 175.20 2kll s ASP 39 N -3.90 5.92 0.29 -0.19 1.11 -1.26 -1.65 116.67 116.99 2kll s ASP 39 Ca 0.37 0.31 0.03 0.00 0.18 0.00 0.00 52.55 53.45 2kll s ASP 39 Cb -0.06 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.04 2kll s ASP 39 CO 0.25 0.37 0.44 -0.76 1.18 0.00 0.00 175.17 176.64 2kll s LEU 40 N -0.78 4.19 0.00 1.23 1.43 -1.26 -4.98 118.68 118.50 2kll s LEU 40 Ca 0.13 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 2kll s LEU 40 Cb -0.12 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2kll s LEU 40 CO 0.03 -0.17 0.00 2.29 0.23 0.00 0.00 176.35 178.73 2kll n LYS 41 N -1.57 0.00 -1.19 1.70 2.85 -1.26 -5.04 118.16 113.65 2kll n LYS 41 Ca -0.07 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.18 2kll n LYS 41 Cb 0.57 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 2kll n LYS 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2kll n LYS 42 N -2.44 1.11 -1.92 -1.58 4.76 -1.26 -4.99 118.16 111.85 2kll n LYS 42 Ca 0.00 -0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.92 2kll n LYS 42 Cb 0.00 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2kll n LYS 42 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kll n ASP 43 N -2.73 4.12 -4.44 4.39 8.00 -1.26 -4.92 116.55 119.72 2kll n ASP 43 Ca 0.00 -2.87 -0.33 0.00 0.71 0.00 0.00 54.79 52.31 2kll n ASP 43 Cb 0.02 -1.67 -0.14 0.00 -0.02 0.00 0.00 41.12 39.31 2kll n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kll s GLU 44 N 3.27 2.92 -0.40 -1.24 0.41 -1.26 -5.10 118.70 117.30 2kll s GLU 44 Ca 0.48 -0.68 -0.14 0.00 -0.41 0.00 0.00 54.97 54.22 2kll s GLU 44 Cb 0.12 -2.51 0.02 0.00 -1.78 0.00 0.00 34.13 29.99 2kll s GLU 44 CO -0.06 0.44 0.27 0.15 -0.49 0.00 0.00 175.26 175.58 2kll s LYS 45 N -0.25 2.92 0.00 1.61 -0.14 -1.26 -5.03 119.74 117.59 2kll s LYS 45 Ca 0.01 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.58 2kll s LYS 45 Cb -0.13 -3.90 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 2kll s LYS 45 CO 0.03 -0.74 0.00 1.63 -0.76 0.00 0.00 175.35 175.51 2kll n LYS 46 N 5.11 -0.06 -2.54 1.68 4.76 -1.26 -5.02 118.16 120.83 2kll n LYS 46 Ca -0.11 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.97 2kll n LYS 46 Cb 0.47 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.62 2kll n LYS 46 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kll s ASP 47 N -1.19 6.72 0.21 4.39 2.15 -1.26 -5.06 116.67 122.62 2kll s ASP 47 Ca 0.00 2.03 0.07 0.00 0.43 0.00 0.00 52.55 55.08 2kll s ASP 47 Cb 0.00 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2kll s ASP 47 CO 0.00 -0.52 0.08 -0.54 -0.17 0.00 0.00 175.17 174.02 2kll s LYS 48 N -2.56 2.62 -0.07 4.34 3.01 -1.26 -4.57 119.74 121.25 2kll s LYS 48 Ca 0.59 -1.10 0.00 0.00 -1.01 0.00 0.00 55.97 54.44 2kll s LYS 48 Cb -0.21 -2.43 0.02 0.00 -1.01 0.00 0.00 37.83 34.20 2kll s LYS 48 CO 0.27 0.43 -0.04 0.08 0.51 0.00 0.00 175.35 176.60 2kll s VAL 49 N -1.96 0.63 -0.55 3.17 1.01 0.36 -4.67 120.40 118.40 2kll s VAL 49 Ca 0.30 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 2kll s VAL 49 Cb -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2kll s VAL 49 CO 0.21 0.28 1.76 -0.22 0.00 0.00 0.00 175.10 177.13 2kll s LEU 50 N 1.40 3.35 -0.07 3.92 2.96 -0.06 -0.85 118.68 129.33 2kll s LEU 50 Ca -0.03 0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 54.26 2kll s LEU 50 Cb -0.13 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 2kll s LEU 50 CO -0.03 -2.12 0.30 -0.76 -1.32 0.00 0.00 176.35 172.42 2kll s LEU 51 N 8.05 4.40 -0.02 -0.68 1.43 0.05 -1.08 118.68 130.82 2kll s LEU 51 Ca 0.66 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 2kll s LEU 51 Cb -0.14 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 2kll s LEU 51 CO 0.24 0.30 -0.11 -0.44 0.23 0.00 0.00 176.35 176.57 2kll s SER 52 N -0.72 1.41 0.12 2.29 0.01 -0.46 -1.53 113.70 114.82 2kll s SER 52 Ca 0.20 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.17 2kll s SER 52 Cb -0.14 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.71 2kll s SER 52 CO 0.08 0.10 0.37 -0.31 0.41 0.00 0.00 173.24 173.90 2kll s TYR 53 N 0.04 3.51 0.00 2.43 1.51 -0.35 -1.12 117.35 123.37 2kll s TYR 53 Ca -0.01 0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 56.65 2kll s TYR 53 Cb -0.08 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2kll s TYR 53 CO 0.00 0.47 0.01 0.71 -1.11 0.00 0.00 175.55 175.63 2kll s TYR 54 N -1.57 0.08 0.23 2.71 2.02 -0.28 -1.62 117.35 118.91 2kll s TYR 54 Ca 0.38 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.98 2kll s TYR 54 Cb -0.13 -0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.34 2kll s TYR 54 CO 0.22 -0.08 0.33 -1.83 -1.57 0.00 0.00 175.55 172.62 2kll s GLU 55 N -0.53 3.37 -0.16 -0.62 4.04 -1.26 -0.73 118.70 122.82 2kll s GLU 55 Ca -0.06 -0.77 -0.03 0.00 0.04 0.00 0.00 54.97 54.15 2kll s GLU 55 Cb -0.04 -2.86 0.05 0.00 0.02 0.00 0.00 34.13 31.30 2kll s GLU 55 CO -0.00 0.44 0.04 0.45 -1.84 0.00 0.00 175.26 174.35 2kll s SER 56 N -3.83 2.51 -0.22 0.83 0.15 -1.25 -4.79 113.70 107.10 2kll s SER 56 Ca 0.34 -0.63 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 2kll s SER 56 Cb -0.09 -0.47 0.07 0.00 -1.71 0.00 0.00 66.02 63.82 2kll s SER 56 CO 0.28 -0.30 0.08 -1.10 1.20 0.00 0.00 173.24 173.40 2kll s GLN 57 N 1.95 0.40 -0.46 5.44 -0.21 -1.26 -4.61 119.66 120.91 2kll s GLN 57 Ca 0.01 -0.41 -0.23 0.00 0.02 0.00 0.00 55.36 54.74 2kll s GLN 57 Cb -0.16 -1.84 0.03 0.00 1.00 0.00 0.00 33.01 32.04 2kll s GLN 57 CO -0.08 -0.76 0.79 -1.01 -2.12 0.00 0.00 175.29 172.11 2kll s HIS 58 N 1.96 2.98 -0.84 0.91 3.76 -1.26 -4.96 115.29 117.84 2kll s HIS 58 Ca 0.03 0.11 -0.25 0.00 -0.15 0.00 0.00 55.06 54.80 2kll s HIS 58 Cb -0.17 -3.68 0.01 0.00 1.11 0.00 0.00 32.58 29.85 2kll s HIS 58 CO -0.16 -1.01 1.61 -1.25 -0.85 0.00 0.00 174.74 173.08 2kll s PRO 59 N 3.30 3.04 0.00 8.40 0.04 -1.26 -4.56 135.00 143.97 2kll s PRO 59 Ca 0.29 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2kll s PRO 59 Cb -0.12 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2kll s PRO 59 CO 0.22 -2.59 0.00 0.43 0.04 0.00 0.00 177.00 175.10 2kll n SER 60 N 11.04 0.00 -0.82 6.66 7.64 -1.26 -4.94 113.62 131.94 2kll n SER 60 Ca 0.25 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.23 2kll n SER 60 Cb 0.50 0.03 0.10 0.00 -1.01 0.00 0.00 64.21 63.83 2kll n SER 60 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kll n ASN 61 N -1.61 2.74 -2.72 6.43 4.13 -1.26 -4.96 115.26 118.01 2kll n ASN 61 Ca 0.00 -1.84 -0.20 0.00 1.68 0.00 0.00 54.58 54.22 2kll n ASN 61 Cb 0.00 -0.04 0.01 0.00 -1.54 0.00 0.00 39.78 38.20 2kll n ASN 61 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kll n GLU 62 N 1.13 -3.10 -1.73 3.52 1.02 -1.26 -4.86 120.64 115.36 2kll n GLU 62 Ca 0.12 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.70 2kll n GLU 62 Cb 0.50 -5.59 -0.03 0.00 -0.02 0.00 0.00 31.44 26.30 2kll n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kll s SER 63 N -2.35 5.46 0.00 1.62 0.15 -1.26 -4.75 113.70 112.57 2kll s SER 63 Ca 0.15 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.37 2kll s SER 63 Cb -0.07 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2kll s SER 63 CO 0.18 -2.01 0.00 0.61 1.20 0.00 0.00 173.24 173.23 2kll n GLY 64 N 5.69 1.19 2.87 9.45 0.00 -1.26 -4.99 105.19 118.14 2kll n GLY 64 Ca 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 2kll n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kll n ASP 65 N 0.00 -7.68 0.00 1.61 9.92 -1.26 -4.78 116.55 114.36 2kll n ASP 65 Ca 0.00 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 2kll n ASP 65 Cb 0.00 -4.68 0.00 0.00 -0.64 0.00 0.00 41.12 35.80 2kll n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kll n GLY 66 N 0.39 -0.03 3.87 0.44 0.00 -1.26 -4.84 105.19 103.76 2kll n GLY 66 Ca 0.03 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2kll n GLY 66 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kll n VAL 67 N 0.00 0.00 -2.79 1.61 0.24 -1.26 -2.62 118.33 113.51 2kll n VAL 67 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2kll n VAL 67 Cb 0.00 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 2kll n VAL 67 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kll n ASP 68 N -1.95 -7.91 -1.58 -1.34 9.92 -1.26 -4.86 116.55 107.56 2kll n ASP 68 Ca 0.09 1.16 -0.11 0.00 -0.53 0.00 0.00 54.79 55.40 2kll n ASP 68 Cb 0.41 -5.08 0.07 0.00 -0.64 0.00 0.00 41.12 35.88 2kll n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kll n GLY 69 N 0.51 3.23 3.77 0.44 0.00 -1.08 -4.95 105.19 107.11 2kll n GLY 69 Ca 0.02 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2kll n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kll s LYS 70 N -1.43 3.77 0.05 1.61 -0.14 -1.26 -4.95 119.74 117.40 2kll s LYS 70 Ca 0.25 2.43 -0.30 0.00 -1.36 0.00 0.00 55.97 56.98 2kll s LYS 70 Cb 0.20 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 2kll s LYS 70 CO 0.04 -0.75 1.05 0.00 -0.76 0.00 0.00 175.35 174.93 2kll s MET 71 N -2.38 4.55 -0.14 1.68 0.23 -1.26 -4.93 119.30 117.05 2kll s MET 71 Ca 0.59 1.55 -0.15 0.00 -1.03 0.00 0.00 55.69 56.66 2kll s MET 71 Cb -0.44 -3.40 -0.05 0.00 -1.53 0.00 0.00 34.83 29.42 2kll s MET 71 CO 0.57 -0.05 0.34 -0.51 -2.03 0.00 0.00 175.02 173.34 2kll s LEU 72 N 0.71 4.26 0.49 0.18 1.43 -1.26 -3.96 118.68 120.53 2kll s LEU 72 Ca 0.53 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 2kll s LEU 72 Cb -0.25 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.54 2kll s LEU 72 CO 0.29 0.09 0.70 -0.04 0.23 0.00 0.00 176.35 177.62 2kll s MET 73 N 0.41 2.80 -0.07 1.70 -1.94 0.09 -1.33 119.30 120.95 2kll s MET 73 Ca 0.19 -0.73 -0.08 0.00 -1.71 0.00 0.00 55.69 53.35 2kll s MET 73 Cb -0.14 -2.56 0.02 0.00 2.01 0.00 0.00 34.83 34.16 2kll s MET 73 CO 0.06 -0.46 0.22 0.54 -0.01 0.00 0.00 175.02 175.37 2kll s VAL 74 N -2.61 0.01 -0.08 -6.03 0.11 0.16 -1.13 120.40 110.84 2kll s VAL 74 Ca 0.53 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 2kll s VAL 74 Cb -0.10 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2kll s VAL 74 CO 0.37 -0.06 -0.21 0.42 -3.33 0.00 0.00 175.10 172.29 2kll s THR 75 N -0.13 2.35 -0.31 5.04 -4.23 -0.27 -1.41 115.64 116.67 2kll s THR 75 Ca -0.02 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 2kll s THR 75 Cb -0.02 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.95 2kll s THR 75 CO 0.01 0.56 0.06 -0.76 -0.54 0.00 0.00 174.62 173.95 2kll s LEU 76 N 0.03 3.99 -0.58 4.79 1.43 -1.26 -1.36 118.68 125.73 2kll s LEU 76 Ca -0.08 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2kll s LEU 76 Cb -0.15 -1.82 0.15 0.00 0.03 0.00 0.00 46.19 44.40 2kll s LEU 76 CO 0.05 -0.26 0.37 -0.55 0.23 0.00 0.00 176.35 176.20 2kll s SER 77 N 1.39 5.05 0.00 2.29 0.15 -0.24 -2.86 113.70 119.48 2kll s SER 77 Ca -0.01 -2.79 0.25 0.00 0.70 0.00 0.00 55.95 54.10 2kll s SER 77 Cb -0.19 -1.80 1.20 0.00 -1.71 0.00 0.00 66.02 63.52 2kll s SER 77 CO 0.01 -0.36 1.82 -0.81 1.20 0.00 0.00 173.24 175.11 2kll n PRO 78 N 3.53 0.24 0.00 5.44 -0.04 -1.26 -0.88 135.00 142.03 2kll n PRO 78 Ca 0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2kll n PRO 78 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2kll n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kll n THR 79 N -1.35 0.00 0.00 0.52 -2.24 -1.26 -4.85 114.28 105.10 2kll n THR 79 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2kll n THR 79 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2kll n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kll n LYS 80 N 0.00 0.00 0.09 -0.78 4.76 -1.26 -4.76 118.16 116.21 2kll n LYS 80 Ca 0.00 0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.56 2kll n LYS 80 Cb 0.00 -0.28 -0.01 0.00 -1.84 0.00 0.00 35.03 32.89 2kll n LYS 80 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kll n ASP 81 N -1.00 0.78 -4.68 4.39 8.00 -1.26 -4.87 116.55 117.91 2kll n ASP 81 Ca 0.00 0.30 -0.43 0.00 0.71 0.00 0.00 54.79 55.37 2kll n ASP 81 Cb 0.00 0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 2kll n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kll s PHE 82 N -3.38 3.49 0.36 1.24 0.40 -1.26 -4.51 117.98 114.32 2kll s PHE 82 Ca -0.01 1.58 0.08 0.00 -0.60 0.00 0.00 56.93 57.98 2kll s PHE 82 Cb 0.10 -3.20 -0.05 0.00 0.51 0.00 0.00 43.02 40.38 2kll s PHE 82 CO 0.80 -0.26 0.14 -1.58 0.70 0.00 0.00 175.22 175.02 2kll s TRP 83 N 2.18 2.65 -0.47 0.36 0.51 -0.34 -4.14 118.94 119.70 2kll s TRP 83 Ca 0.48 -0.45 -0.29 0.00 -2.12 0.00 0.00 56.10 53.72 2kll s TRP 83 Cb -0.18 -1.71 0.02 0.00 -0.81 0.00 0.00 33.47 30.79 2kll s TRP 83 CO 0.16 0.31 1.25 -0.51 -0.51 0.00 0.00 176.95 177.65 2kll s LEU 84 N -3.85 3.59 -0.11 2.99 1.02 -1.13 -1.33 118.68 119.86 2kll s LEU 84 Ca 0.38 0.55 -0.00 0.00 0.02 0.00 0.00 54.13 55.08 2kll s LEU 84 Cb -0.00 -3.51 -0.02 0.00 0.02 0.00 0.00 46.19 42.67 2kll s LEU 84 CO 0.22 -1.35 -0.08 -1.00 0.02 0.00 0.00 176.35 174.16 2kll s HIS 85 N 4.89 2.90 -0.04 0.29 3.76 0.10 -4.69 115.29 122.50 2kll s HIS 85 Ca 0.52 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.87 2kll s HIS 85 Cb -0.09 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2kll s HIS 85 CO 0.32 0.06 1.17 0.00 -0.85 0.00 0.00 174.74 175.44 2kll s ALA 86 N -0.15 3.45 -0.53 -1.40 0.00 -1.26 -1.52 121.76 120.36 2kll s ALA 86 Ca 0.01 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 2kll s ALA 86 Cb -0.13 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.64 2kll s ALA 86 CO 0.03 -0.68 0.34 -0.80 0.00 0.00 0.00 175.76 174.65 2kll s ASN 87 N 1.36 5.18 0.10 0.00 -0.87 0.04 -4.92 114.94 115.83 2kll s ASN 87 Ca 0.55 -2.55 0.13 0.00 -1.57 0.00 0.00 52.86 49.42 2kll s ASN 87 Cb -0.24 -1.83 0.60 0.00 -0.02 0.00 0.00 41.25 39.76 2kll s ASN 87 CO 0.23 -0.43 1.41 -3.20 -2.57 0.00 0.00 177.10 172.54 2kll n ASN 88 N 3.88 0.22 -0.26 -1.22 5.15 -1.26 -1.59 115.26 120.18 2kll n ASN 88 Ca 0.04 0.57 -0.02 0.00 -0.60 0.00 0.00 54.58 54.57 2kll n ASN 88 Cb 0.39 -0.61 0.10 0.00 -0.53 0.00 0.00 39.78 39.12 2kll n ASN 88 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2kll h LYS 89 N 0.00 0.84 0.00 1.20 1.57 -1.91 -3.06 116.57 115.20 2kll h LYS 89 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kll h LYS 89 Cb 0.16 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2kll h LYS 89 CO 0.00 0.55 -0.01 0.39 -0.57 0.00 0.00 179.45 179.82 2kll n GLU 90 N -4.67 2.50 -3.67 3.15 1.02 -1.07 -4.99 120.64 112.91 2kll n GLU 90 Ca 0.09 -1.57 -0.26 0.00 -0.02 0.00 0.00 57.16 55.40 2kll n GLU 90 Cb 0.12 -1.02 0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2kll n GLU 90 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kll n HIS 91 N -0.59 -2.66 -4.10 -0.32 8.25 -0.62 -4.94 115.22 110.25 2kll n HIS 91 Ca 0.02 0.95 -0.09 0.00 -0.26 0.00 0.00 57.72 58.34 2kll n HIS 91 Cb 0.33 -4.66 -0.09 0.00 1.12 0.00 0.00 29.99 26.68 2kll n HIS 91 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kll s SER 92 N -3.27 0.26 -0.14 0.41 0.01 -0.84 -0.74 113.70 109.39 2kll s SER 92 Ca 0.60 -1.11 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 2kll s SER 92 Cb -0.28 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 2kll s SER 92 CO 0.74 -0.76 0.12 -0.69 0.41 0.00 0.00 173.24 173.06 2kll s VAL 93 N -4.02 5.29 0.12 3.43 1.01 -1.24 -0.78 120.40 124.21 2kll s VAL 93 Ca 0.21 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2kll s VAL 93 Cb 0.07 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2kll s VAL 93 CO 0.00 0.57 -0.04 -1.61 0.00 0.00 0.00 175.10 174.03 2kll s GLU 94 N -0.60 0.92 -0.27 2.72 2.02 -0.57 -4.88 118.70 118.05 2kll s GLU 94 Ca 0.12 -1.40 -0.23 0.00 0.02 0.00 0.00 54.97 53.48 2kll s GLU 94 Cb -0.12 -0.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2kll s GLU 94 CO 0.02 -0.07 0.76 -0.51 0.02 0.00 0.00 175.26 175.48 2kll s LEU 95 N -3.08 4.08 0.07 1.80 1.02 -1.26 -0.72 118.68 120.59 2kll s LEU 95 Ca 0.16 0.83 0.06 0.00 0.02 0.00 0.00 54.13 55.20 2kll s LEU 95 Cb 0.06 -3.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.18 2kll s LEU 95 CO -0.02 -0.50 -0.15 -2.28 0.02 0.00 0.00 176.35 173.42 2kll s HIS 96 N 2.78 1.31 -0.12 0.29 2.46 -0.44 -4.90 115.29 116.66 2kll s HIS 96 Ca 0.32 -0.45 -0.01 0.00 0.47 0.00 0.00 55.06 55.39 2kll s HIS 96 Cb -0.15 -0.74 -0.02 0.00 -0.13 0.00 0.00 32.58 31.55 2kll s HIS 96 CO 0.09 0.08 -0.11 0.21 -2.47 0.00 0.00 174.74 172.54 2kll s LYS 97 N -1.73 3.34 0.34 2.88 2.20 -1.26 -1.20 119.74 124.31 2kll s LYS 97 Ca -0.00 -0.64 0.07 0.00 -0.36 0.00 0.00 55.97 55.03 2kll s LYS 97 Cb -0.10 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 2kll s LYS 97 CO 0.03 0.28 0.25 0.00 -0.36 0.00 0.00 175.35 175.55 2kll s GLU 99 N -3.49 -2.20 0.14 0.00 2.02 -1.26 -4.92 118.70 108.99 2kll s GLU 99 Ca 0.38 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.52 2kll s GLU 99 Cb 0.02 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.80 2kll s GLU 99 CO 0.25 -4.45 1.68 -0.22 0.02 0.00 0.00 175.26 172.55 2kll h LYS 100 N -3.12 -0.08 -5.34 1.61 1.63 -2.01 -3.38 116.57 105.87 2kll h LYS 100 Ca -0.50 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.08 2kll h LYS 100 Cb 1.34 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 2kll h LYS 100 CO 0.37 -0.05 0.90 -2.30 -3.45 0.00 0.00 179.45 174.92 2kll n PRO 101 N -5.26 0.57 -1.77 1.90 -0.02 -1.26 -4.89 135.00 124.27 2kll n PRO 101 Ca -0.02 -0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 60.62 2kll n PRO 101 Cb 0.18 -3.07 -0.01 0.00 -0.02 0.00 0.00 33.50 30.57 2kll n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kll s LEU 102 N 11.58 4.34 0.76 2.45 1.43 -1.26 -4.42 118.68 133.56 2kll s LEU 102 Ca 1.04 2.97 -0.11 0.00 -1.03 0.00 0.00 54.13 56.99 2kll s LEU 102 Cb -0.34 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.29 2kll s LEU 102 CO 0.23 -0.92 1.10 -2.16 0.23 0.00 0.00 176.35 174.84 2kll s PRO 103 N -0.73 2.41 0.18 1.29 0.04 -1.26 -3.18 135.00 133.75 2kll s PRO 103 Ca 0.62 0.54 0.18 0.00 0.04 0.00 0.00 61.00 62.37 2kll s PRO 103 Cb -0.48 -1.96 0.81 0.00 0.04 0.00 0.00 34.50 32.91 2kll s PRO 103 CO 0.50 -1.36 1.55 -0.25 0.04 0.00 0.00 177.00 177.48 2kll n ASP 104 N -3.24 0.41 -0.76 6.66 9.92 -1.26 -1.20 116.55 127.08 2kll n ASP 104 Ca 0.07 0.63 0.12 0.00 -0.53 0.00 0.00 54.79 55.08 2kll n ASP 104 Cb 0.57 -0.70 0.32 0.00 -0.64 0.00 0.00 41.12 40.66 2kll n ASP 104 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2kll n GLN 105 N -1.98 2.01 0.00 -1.24 7.27 -1.26 -3.85 117.38 118.34 2kll n GLN 105 Ca 0.01 -1.50 0.11 0.00 0.07 0.00 0.00 57.00 55.68 2kll n GLN 105 Cb 0.14 -1.45 -0.02 0.00 2.41 0.00 0.00 30.24 31.31 2kll n GLN 105 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kll n ALA 106 N 0.76 4.36 -3.05 1.69 0.00 -0.34 -4.05 120.51 119.87 2kll n ALA 106 Ca 0.17 -0.53 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 2kll n ALA 106 Cb 0.45 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 2kll n ALA 106 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kll s PHE 107 N -3.02 3.09 -0.25 0.00 0.40 -1.25 -4.60 117.98 112.36 2kll s PHE 107 Ca 0.08 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 2kll s PHE 107 Cb 0.16 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2kll s PHE 107 CO 0.83 -0.38 0.06 -0.06 0.70 0.00 0.00 175.22 176.37 2kll s PHE 108 N 1.61 3.08 -0.29 0.36 0.08 -0.50 -3.52 117.98 118.79 2kll s PHE 108 Ca 0.06 -0.46 -0.28 0.00 0.12 0.00 0.00 56.93 56.37 2kll s PHE 108 Cb -0.15 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 2kll s PHE 108 CO 0.04 -0.37 1.84 0.08 -0.10 0.00 0.00 175.22 176.70 2kll s VAL 109 N 1.61 3.43 0.11 -0.44 1.01 0.17 0.39 120.40 126.67 2kll s VAL 109 Ca 0.06 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2kll s VAL 109 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2kll s VAL 109 CO 0.03 -0.33 1.07 -0.22 0.00 0.00 0.00 175.10 175.65 2kll s LEU 110 N 6.82 4.45 -0.05 3.92 0.20 -0.44 -0.47 118.68 133.12 2kll s LEU 110 Ca 0.82 1.94 0.03 0.00 0.69 0.00 0.00 54.13 57.60 2kll s LEU 110 Cb -0.25 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 41.93 2kll s LEU 110 CO 0.34 -0.24 -0.12 -1.00 -0.29 0.00 0.00 176.35 175.04 2kll s HIS 111 N 0.27 1.30 0.22 5.38 3.76 -0.43 -4.61 115.29 121.18 2kll s HIS 111 Ca 0.51 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.72 2kll s HIS 111 Cb -0.27 -0.93 -0.08 0.00 1.11 0.00 0.00 32.58 32.41 2kll s HIS 111 CO 0.31 -0.18 1.01 -0.80 -0.85 0.00 0.00 174.74 174.23 2kll s ASN 112 N 0.37 7.46 0.04 1.40 -0.87 -1.26 -0.49 114.94 121.59 2kll s ASN 112 Ca -0.08 2.03 -0.01 0.00 -1.57 0.00 0.00 52.86 53.23 2kll s ASN 112 Cb -0.12 -2.61 -0.01 0.00 -0.02 0.00 0.00 41.25 38.49 2kll s ASN 112 CO 0.02 -0.02 -0.02 0.23 -2.57 0.00 0.00 177.10 174.74 2kll n MET 113 N 1.78 0.04 -0.54 -0.60 2.81 -1.09 -4.93 117.12 114.60 2kll n MET 113 Ca -0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2kll n MET 113 Cb 0.47 -0.56 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 2kll n MET 113 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2kll n HIS 114 N -3.36 0.00 0.24 2.03 8.25 -1.20 -4.99 115.22 116.19 2kll n HIS 114 Ca -0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 2kll n HIS 114 Cb 0.24 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 2kll n HIS 114 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2kll h SER 115 N 0.00 -0.95 -0.00 0.41 0.87 -2.02 -3.28 113.55 108.58 2kll h SER 115 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kll h SER 115 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2kll h SER 115 CO 0.00 -0.51 0.00 0.59 -0.53 0.00 0.00 176.83 176.38 2kll n ASN 116 N -5.47 2.30 -4.79 6.23 3.02 -1.26 -5.02 115.26 110.27 2kll n ASN 116 Ca -0.10 -2.88 -0.36 0.00 -0.03 0.00 0.00 54.58 51.21 2kll n ASN 116 Cb 0.37 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 2kll n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kll s VAL 118 N -0.60 1.10 0.16 0.00 -7.23 -0.11 -2.65 120.40 111.06 2kll s VAL 118 Ca 0.12 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 2kll s VAL 118 Cb -0.12 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2kll s VAL 118 CO 0.02 -0.59 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.51 2kll s SER 119 N -2.69 2.42 -0.39 4.85 0.15 0.35 -0.91 113.70 117.49 2kll s SER 119 Ca 0.10 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 55.89 2kll s SER 119 Cb -0.01 -0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.29 2kll s SER 119 CO 0.01 -0.10 0.15 -0.36 1.20 0.00 0.00 173.24 174.14 2kll s PHE 120 N -2.30 2.52 0.26 3.44 0.08 -1.26 -1.32 117.98 119.41 2kll s PHE 120 Ca 0.15 -2.48 -0.19 0.00 0.12 0.00 0.00 56.93 54.53 2kll s PHE 120 Cb -0.04 -2.23 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 2kll s PHE 120 CO 0.05 -0.85 0.76 -2.00 -0.10 0.00 0.00 175.22 173.08 2kll s GLU 121 N 0.77 4.23 0.03 0.44 2.12 0.38 -1.11 118.70 125.56 2kll s GLU 121 Ca 0.14 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 56.05 2kll s GLU 121 Cb -0.21 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2kll s GLU 121 CO -0.09 0.31 0.95 0.00 -0.54 0.00 0.00 175.26 175.89 2kll h LYS 123 N 6.42 0.00 0.00 0.00 3.64 -1.81 -3.18 116.57 121.64 2kll h LYS 123 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2kll h LYS 123 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2kll h LYS 123 CO 0.74 0.64 -1.27 0.25 -2.27 0.00 0.00 179.45 177.54 2kll n THR 124 N -3.49 0.33 -3.53 1.00 -2.24 -1.26 -4.59 114.28 100.51 2kll n THR 124 Ca 0.00 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 2kll n THR 124 Cb 0.70 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 2kll n THR 124 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kll n ASP 125 N -2.37 1.58 -4.60 3.42 9.92 -1.20 -5.12 116.55 118.18 2kll n ASP 125 Ca -0.00 -2.91 -0.38 0.00 -0.53 0.00 0.00 54.79 50.97 2kll n ASP 125 Cb 0.52 -0.66 0.05 0.00 -0.64 0.00 0.00 41.12 40.40 2kll n ASP 125 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2kll n PRO 126 N 1.93 0.87 -0.93 -0.24 -0.02 -1.21 -2.55 135.00 132.85 2kll n PRO 126 Ca 0.25 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2kll n PRO 126 Cb 0.43 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2kll n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kll n GLY 127 N 1.34 0.75 3.25 -1.23 0.00 -1.26 -5.01 105.19 103.02 2kll n GLY 127 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2kll n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kll s VAL 128 N -2.94 1.99 0.05 1.61 1.01 -1.06 -3.52 120.40 117.54 2kll s VAL 128 Ca 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.00 2kll s VAL 128 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2kll s VAL 128 CO 0.00 0.55 -0.14 -0.36 0.00 0.00 0.00 175.10 175.15 2kll s PHE 129 N -0.08 1.20 0.47 5.22 0.40 -0.45 -1.26 117.98 123.49 2kll s PHE 129 Ca -0.06 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 55.65 2kll s PHE 129 Cb -0.14 -0.70 -0.07 0.00 0.51 0.00 0.00 43.02 42.62 2kll s PHE 129 CO 0.04 0.04 1.20 0.42 0.70 0.00 0.00 175.22 177.62 2kll s ILE 130 N -1.00 2.94 -0.22 0.64 1.01 -0.27 -0.22 121.20 124.08 2kll s ILE 130 Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 60.65 61.05 2kll s ILE 130 Cb -0.09 -3.36 0.16 0.00 0.01 0.00 0.00 42.46 39.18 2kll s ILE 130 CO 0.02 -0.00 1.20 -0.83 0.00 0.00 0.00 174.94 175.32 2kll s GLY 131 N -1.27 -0.13 -0.41 6.18 0.00 0.12 -4.30 107.32 107.51 2kll s GLY 131 Ca 0.64 2.25 -0.28 0.00 0.00 0.00 0.00 44.72 47.33 2kll s GLY 131 CO 0.37 0.93 1.61 0.14 0.00 0.00 0.00 173.10 176.15 2kll s VAL 132 N -1.42 3.67 0.00 1.40 1.01 -1.13 -0.53 120.40 123.40 2kll s VAL 132 Ca 0.06 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2kll s VAL 132 Cb -0.01 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2kll s VAL 132 CO -0.04 -0.68 0.00 1.17 0.00 0.00 0.00 175.10 175.55 2kll n LYS 133 N 8.38 0.00 -0.05 2.72 3.00 -0.00 -4.81 118.16 127.40 2kll n LYS 133 Ca 0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.29 2kll n LYS 133 Cb 0.48 -0.13 -0.13 0.00 0.00 0.00 0.00 35.03 35.25 2kll n LYS 133 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kll h ASP 134 N 0.00 0.18 0.00 3.14 3.58 -1.97 -3.45 116.42 117.89 2kll h ASP 134 Ca 0.00 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.74 2kll h ASP 134 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2kll h ASP 134 CO 0.00 1.56 0.00 -0.46 -2.88 0.00 0.00 179.24 177.46 2kll n ASN 135 N -4.13 0.00 -3.56 2.28 6.94 -1.26 -5.07 115.26 110.46 2kll n ASN 135 Ca -0.29 -0.81 -0.15 0.00 -0.02 0.00 0.00 54.58 53.31 2kll n ASN 135 Cb 0.79 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.14 2kll n ASN 135 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2kll s HIS 136 N 0.00 1.29 0.21 -2.53 -3.43 -1.26 -1.27 115.29 108.30 2kll s HIS 136 Ca 0.00 -1.40 -0.30 0.00 -0.80 0.00 0.00 55.06 52.56 2kll s HIS 136 Cb 0.00 -0.40 -0.08 0.00 -1.43 0.00 0.00 32.58 30.67 2kll s HIS 136 CO 0.00 -0.92 1.05 -0.51 -2.00 0.00 0.00 174.74 172.36 2kll s LEU 137 N -3.25 4.54 0.12 5.38 1.43 -1.26 -0.82 118.68 124.81 2kll s LEU 137 Ca 0.36 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.35 2kll s LEU 137 Cb 0.02 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.68 2kll s LEU 137 CO 0.20 -0.11 0.45 0.00 0.23 0.00 0.00 176.35 177.13 2kll s ALA 138 N -0.64 -1.10 -0.87 4.21 0.00 0.31 -3.71 121.76 119.96 2kll s ALA 138 Ca 0.46 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 2kll s ALA 138 Cb -0.29 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.54 2kll s ALA 138 CO 0.35 -0.64 1.49 -0.51 0.00 0.00 0.00 175.76 176.45 2kll s LEU 139 N -2.67 3.32 -0.23 0.00 1.43 0.08 -0.70 118.68 119.91 2kll s LEU 139 Ca 0.01 -0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 52.11 2kll s LEU 139 Cb 0.01 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2kll s LEU 139 CO -0.11 -1.86 0.43 -0.63 0.23 0.00 0.00 176.35 174.42 2kll s ILE 140 N 6.26 5.15 -0.30 -0.59 1.01 0.69 -4.84 121.20 128.59 2kll s ILE 140 Ca 0.47 0.75 -0.28 0.00 0.00 0.00 0.00 60.65 61.59 2kll s ILE 140 Cb -0.05 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2kll s ILE 140 CO 0.03 0.19 1.02 -0.75 0.00 0.00 0.00 174.94 175.42 2kll s LYS 141 N 1.72 4.08 -0.04 2.79 2.20 -1.26 -1.34 119.74 127.88 2kll s LYS 141 Ca 0.19 1.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.88 2kll s LYS 141 Cb -0.15 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 2kll s LYS 141 CO 0.09 -0.82 -0.19 0.08 -0.36 0.00 0.00 175.35 174.15 2kll s VAL 142 N 3.46 1.59 0.35 4.02 1.01 -1.23 -4.98 120.40 124.61 2kll s VAL 142 Ca 0.43 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2kll s VAL 142 Cb -0.13 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2kll s VAL 142 CO 0.13 0.45 0.56 -0.62 0.00 0.00 0.00 175.10 175.62 2kll s ASP 143 N -0.05 6.30 -0.72 3.32 -1.08 -1.26 -4.80 116.67 118.37 2kll s ASP 143 Ca -0.03 0.48 -0.02 0.00 -0.52 0.00 0.00 52.55 52.45 2kll s ASP 143 Cb -0.12 -2.04 0.27 0.00 -1.46 0.00 0.00 42.92 39.57 2kll s ASP 143 CO 0.02 -0.30 2.24 -0.24 0.52 0.00 0.00 175.17 177.41 2kll n SER 144 N -1.76 7.24 0.01 -0.34 2.88 -1.26 -3.00 113.62 117.38 2kll n SER 144 Ca -0.04 -3.65 0.00 0.00 -1.33 0.00 0.00 58.87 53.84 2kll n SER 144 Cb 0.56 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2kll n SER 144 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kll n SER 145 N -0.15 -0.15 -1.32 -3.46 3.41 -1.26 -4.89 113.62 105.80 2kll n SER 145 Ca 0.53 0.08 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2kll n SER 145 Cb 0.34 0.30 0.30 0.00 -0.26 0.00 0.00 64.21 64.89 2kll n SER 145 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2kll n GLU 146 N -2.26 2.68 -0.36 4.33 0.28 -1.26 -4.28 120.64 119.78 2kll n GLU 146 Ca 0.00 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.41 2kll n GLU 146 Cb 0.00 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.31 2kll n GLU 146 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kll n ASN 147 N 1.63 0.00 0.12 -1.84 4.13 -1.23 -4.91 115.26 113.16 2kll n ASN 147 Ca 0.23 -1.28 0.16 0.00 1.68 0.00 0.00 54.58 55.38 2kll n ASN 147 Cb 0.62 -0.06 0.72 0.00 -1.54 0.00 0.00 39.78 39.52 2kll n ASN 147 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2kll h LEU 148 N 0.00 0.00 -8.00 3.41 5.85 -1.72 -3.33 115.31 111.52 2kll h LEU 148 Ca 0.00 0.00 -0.74 0.00 0.84 0.00 0.00 57.88 57.98 2kll h LEU 148 Cb 1.11 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.92 2kll h LEU 148 CO 0.00 0.00 0.21 0.00 -0.34 0.00 0.00 178.44 178.31 2kll s THR 150 N 1.66 -0.52 0.05 0.00 2.01 -1.25 -5.00 115.64 112.60 2kll s THR 150 Ca 0.17 -0.37 0.32 0.00 0.31 0.00 0.00 61.69 62.12 2kll s THR 150 Cb -0.16 -0.97 0.34 0.00 0.01 0.00 0.00 72.50 71.72 2kll s THR 150 CO -0.03 -0.36 1.96 1.05 -0.69 0.00 0.00 174.62 176.55 2kll h GLU 151 N 8.21 0.00 -0.75 4.92 4.11 -1.93 -2.82 114.58 126.33 2kll h GLU 151 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 2kll h GLU 151 Cb 1.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 2kll h GLU 151 CO 0.30 0.00 0.42 -0.91 0.07 0.00 0.00 179.01 178.89 2kll h ASN 152 N 0.00 0.94 0.69 3.06 2.35 -1.94 -2.18 115.58 118.50 2kll h ASN 152 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2kll h ASN 152 Cb 0.25 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2kll h ASN 152 CO 0.00 0.76 -0.26 2.30 -1.65 0.00 0.00 177.43 178.58 2kll n ILE 153 N -4.46 0.00 -2.68 2.81 -5.35 -1.07 -2.84 119.36 105.77 2kll n ILE 153 Ca 0.07 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 62.12 2kll n ILE 153 Cb 0.09 -0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 37.88 2kll n ILE 153 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2kll s LEU 154 N -2.95 3.71 0.31 7.28 1.43 -0.82 -4.17 118.68 123.48 2kll s LEU 154 Ca 0.14 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2kll s LEU 154 Cb 0.18 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2kll s LEU 154 CO 0.61 -1.33 0.20 -0.36 0.23 0.00 0.00 176.35 175.70 2kll s PHE 155 N 4.48 2.87 0.03 0.29 0.08 -0.09 -3.16 117.98 122.48 2kll s PHE 155 Ca 0.40 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.19 2kll s PHE 155 Cb -0.09 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2kll s PHE 155 CO 0.25 0.33 -0.07 0.15 -0.10 0.00 0.00 175.22 175.78 2kll s LYS 156 N -3.89 0.52 0.33 0.44 1.02 0.14 -0.94 119.74 117.36 2kll s LYS 156 Ca 0.38 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.86 2kll s LYS 156 Cb -0.05 -0.37 -0.07 0.00 -0.52 0.00 0.00 37.83 36.82 2kll s LYS 156 CO 0.25 0.08 0.03 -0.51 -0.92 0.00 0.00 175.35 174.28 2kll s LEU 157 N -1.03 2.35 0.05 3.17 1.43 -1.26 -1.38 118.68 122.00 2kll s LEU 157 Ca -0.05 -1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 51.49 2kll s LEU 157 Cb -0.07 -0.51 0.05 0.00 0.03 0.00 0.00 46.19 45.69 2kll s LEU 157 CO 0.00 -0.54 0.49 -0.55 0.23 0.00 0.00 176.35 175.98 2kll s SER 158 N -3.52 -0.39 -0.77 2.29 0.15 -1.26 -4.98 113.70 105.21 2kll s SER 158 Ca 0.35 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 2kll s SER 158 Cb 0.08 0.47 0.20 0.00 -1.71 0.00 0.00 66.02 65.07 2kll s SER 158 CO 0.16 -0.71 0.64 -1.61 1.20 0.00 0.00 173.24 172.92 2kll s GLU 159 N -2.49 3.11 0.00 5.44 2.02 -1.26 -4.22 118.70 121.30 2kll s GLU 159 Ca -0.05 -2.71 0.00 0.00 0.02 0.00 0.00 54.97 52.23 2kll s GLU 159 Cb -0.01 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.20 2kll s GLU 159 CO -0.02 -1.23 0.45 -2.37 0.02 0.00 0.00 175.26 172.11