#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 0.00 -2.66 1.61 3.41 -1.26 -4.95 113.62 109.77 2kll n SER 1 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kll n SER 1 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2kll n SER 1 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kll n SER 2 N -0.24 1.42 -0.06 4.04 3.41 -1.26 -4.85 113.62 116.08 2kll n SER 2 Ca 0.00 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.48 2kll n SER 2 Cb 0.00 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.37 2kll n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kll n ILE 3 N -0.48 1.51 -4.29 -1.33 0.13 -1.26 -4.87 119.36 108.77 2kll n ILE 3 Ca 0.06 -0.81 -0.24 0.00 -1.10 0.00 0.00 62.75 60.67 2kll n ILE 3 Cb 0.85 -0.82 -0.07 0.00 -0.84 0.00 0.00 39.64 38.75 2kll n ILE 3 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 2kll s THR 4 N -2.54 3.44 0.00 9.51 -1.32 -1.26 -4.71 115.64 118.76 2kll s THR 4 Ca -0.10 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 2kll s THR 4 Cb 0.07 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 2kll s THR 4 CO 0.81 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 2kll n GLY 5 N -0.76 0.93 3.78 6.08 0.00 -1.26 -5.08 105.19 108.88 2kll n GLY 5 Ca -0.07 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 4.98 0.12 -0.61 -4.36 -1.26 -5.07 121.20 113.00 2kll s ILE 6 Ca 0.00 1.07 -0.15 0.00 -0.26 0.00 0.00 60.65 61.31 2kll s ILE 6 Cb 0.00 -3.85 -0.07 0.00 1.25 0.00 0.00 42.46 39.80 2kll s ILE 6 CO 0.00 0.45 0.54 -0.55 0.24 0.00 0.00 174.94 175.62 2kll s SER 7 N -0.31 6.86 0.05 4.36 0.15 -1.26 -5.04 113.70 118.51 2kll s SER 7 Ca 0.28 1.09 -0.31 0.00 0.70 0.00 0.00 55.95 57.71 2kll s SER 7 Cb -0.17 -2.29 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2kll s SER 7 CO 0.15 0.15 1.41 -2.16 1.20 0.00 0.00 173.24 173.98 2kll s PRO 8 N -1.75 4.30 0.05 5.44 0.04 -1.26 -4.41 135.00 137.40 2kll s PRO 8 Ca 0.35 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.21 2kll s PRO 8 Cb -0.16 -3.43 -0.13 0.00 0.04 0.00 0.00 34.50 30.81 2kll s PRO 8 CO 0.19 -0.52 1.43 0.82 0.04 0.00 0.00 177.00 178.96 2kll h ILE 9 N 4.62 1.29 -2.15 0.56 2.04 -1.57 -3.48 117.51 118.83 2kll h ILE 9 Ca -0.40 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 64.52 2kll h ILE 9 Cb 1.19 1.67 -0.17 0.00 -0.74 0.00 0.00 36.82 38.77 2kll h ILE 9 CO 0.89 0.29 0.45 0.28 0.00 0.00 0.00 178.15 180.06 2kll s THR 10 N -4.71 0.00 0.01 -0.27 -1.32 -1.26 -4.99 115.64 103.11 2kll s THR 10 Ca -0.14 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.36 2kll s THR 10 Cb 0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 2kll s THR 10 CO 0.72 0.00 -0.07 -1.61 -2.21 0.00 0.00 174.62 171.45 2kll s GLU 11 N -2.51 0.55 0.11 7.08 2.02 -1.26 -1.33 118.70 123.36 2kll s GLU 11 Ca 0.01 -0.41 -0.25 0.00 0.02 0.00 0.00 54.97 54.34 2kll s GLU 11 Cb -0.01 -0.47 0.08 0.00 0.10 0.00 0.00 34.13 33.83 2kll s GLU 11 CO -0.05 0.12 0.70 1.52 0.02 0.00 0.00 175.26 177.57 2kll s TYR 12 N -0.54 -0.45 -0.21 1.61 1.13 -0.56 -5.02 117.35 113.30 2kll s TYR 12 Ca -0.01 0.25 -0.16 0.00 -1.41 0.00 0.00 57.07 55.74 2kll s TYR 12 Cb -0.05 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2kll s TYR 12 CO 0.00 -0.77 0.42 -0.51 -2.51 0.00 0.00 175.55 172.18 2kll s LEU 13 N -2.68 4.14 0.23 -3.49 1.43 -1.26 -1.09 118.68 115.96 2kll s LEU 13 Ca 0.03 0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2kll s LEU 13 Cb -0.01 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 2kll s LEU 13 CO -0.11 -0.11 0.36 0.00 0.23 0.00 0.00 176.35 176.72 2kll s ALA 14 N 1.47 0.18 -0.02 4.21 0.00 -0.51 -4.15 121.76 122.94 2kll s ALA 14 Ca 0.19 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2kll s ALA 14 Cb -0.15 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 2kll s ALA 14 CO 0.08 -0.76 -0.11 0.45 0.00 0.00 0.00 175.76 175.42 2kll s SER 15 N -3.05 1.38 -0.16 0.00 0.15 -1.26 -0.19 113.70 110.56 2kll s SER 15 Ca 0.26 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.41 2kll s SER 15 Cb 0.02 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 2kll s SER 15 CO 0.09 0.12 1.16 -0.76 1.20 0.00 0.00 173.24 175.04 2kll s LEU 16 N -0.08 4.18 -0.12 3.45 2.01 -1.26 -4.04 118.68 122.82 2kll s LEU 16 Ca 0.01 1.60 0.03 0.00 0.01 0.00 0.00 54.13 55.78 2kll s LEU 16 Cb -0.07 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.59 2kll s LEU 16 CO 0.00 -0.67 -0.22 -0.44 1.01 0.00 0.00 176.35 176.03 2kll s SER 17 N 1.57 3.21 0.76 2.29 0.01 0.05 -1.26 113.70 120.32 2kll s SER 17 Ca 0.51 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 2kll s SER 17 Cb -0.20 -1.45 0.05 0.00 0.21 0.00 0.00 66.02 64.64 2kll s SER 17 CO 0.13 0.13 1.10 0.42 0.41 0.00 0.00 173.24 175.43 2kll s THR 18 N 0.50 3.27 -1.05 1.44 -4.23 0.14 0.29 115.64 116.00 2kll s THR 18 Ca -0.14 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.85 2kll s THR 18 Cb -0.17 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.80 2kll s THR 18 CO 0.05 -0.51 1.12 0.00 -0.54 0.00 0.00 174.62 174.74 2kll n TYR 19 N -3.37 0.00 -0.13 3.99 9.36 -1.20 -1.60 117.16 124.21 2kll n TYR 19 Ca 0.09 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.28 2kll n TYR 19 Cb 0.53 -0.47 0.18 0.00 -0.63 0.00 0.00 39.34 38.94 2kll n TYR 19 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kll n ASN 20 N -1.47 3.56 0.00 2.98 4.05 -1.26 -4.83 115.26 118.28 2kll n ASN 20 Ca 0.01 -2.67 0.00 0.00 0.45 0.00 0.00 54.58 52.37 2kll n ASN 20 Cb 0.05 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 40.42 2kll n ASN 20 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2kll n ASP 21 N 0.04 -4.31 -4.95 1.20 2.03 -0.62 -4.96 116.55 104.98 2kll n ASP 21 Ca 0.23 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.31 2kll n ASP 21 Cb 0.93 -2.67 0.03 0.00 -0.72 0.00 0.00 41.12 38.69 2kll n ASP 21 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kll s GLN 22 N -1.41 2.73 0.10 -0.67 -0.21 -1.22 -4.30 119.66 114.68 2kll s GLN 22 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 54.90 2kll s GLN 22 Cb 0.00 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 2kll s GLN 22 CO 0.00 -0.62 -0.13 -1.12 -2.12 0.00 0.00 175.29 171.31 2kll s SER 23 N -4.35 1.68 -0.43 5.90 0.01 -0.81 0.26 113.70 115.96 2kll s SER 23 Ca 0.54 -0.74 -0.24 0.00 1.31 0.00 0.00 55.95 56.82 2kll s SER 23 Cb -0.10 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.12 2kll s SER 23 CO 0.40 -0.17 0.84 -0.63 0.41 0.00 0.00 173.24 174.09 2kll s ILE 24 N -1.95 4.60 -0.19 1.44 -1.09 -0.39 -1.40 121.20 122.23 2kll s ILE 24 Ca 0.04 0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 58.96 2kll s ILE 24 Cb -0.06 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 2kll s ILE 24 CO 0.02 -0.68 0.55 -0.89 -1.23 0.00 0.00 174.94 172.70 2kll s THR 25 N 3.42 5.09 -0.72 2.92 2.01 0.03 -4.50 115.64 123.88 2kll s THR 25 Ca 0.33 1.02 -0.11 0.00 0.31 0.00 0.00 61.69 63.24 2kll s THR 25 Cb -0.12 -3.87 0.19 0.00 0.01 0.00 0.00 72.50 68.71 2kll s THR 25 CO 0.22 0.17 0.63 -0.36 -0.69 0.00 0.00 174.62 174.60 2kll s PHE 26 N 1.60 3.60 -0.51 4.92 0.40 -1.26 -1.84 117.98 124.89 2kll s PHE 26 Ca 0.26 -2.06 -0.28 0.00 -0.60 0.00 0.00 56.93 54.24 2kll s PHE 26 Cb -0.16 -3.66 0.02 0.00 0.51 0.00 0.00 43.02 39.74 2kll s PHE 26 CO 0.10 -0.96 1.27 0.00 0.70 0.00 0.00 175.22 176.33 2kll s ALA 27 N 0.38 3.01 -0.36 5.36 0.00 0.53 -4.95 121.76 125.73 2kll s ALA 27 Ca 0.15 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 2kll s ALA 27 Cb -0.16 -3.99 -0.00 0.00 0.00 0.00 0.00 23.12 18.96 2kll s ALA 27 CO -0.06 -2.56 0.35 -0.51 0.00 0.00 0.00 175.76 172.99 2kll s LEU 28 N 5.14 4.60 0.00 0.00 1.43 -1.26 -2.12 118.68 126.47 2kll s LEU 28 Ca 0.50 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2kll s LEU 28 Cb -0.09 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.86 2kll s LEU 28 CO 0.29 -0.37 0.16 -0.62 0.23 0.00 0.00 176.35 176.04 2kll n GLU 29 N 5.35 0.55 -0.02 1.70 -0.58 -0.79 -4.98 120.64 121.87 2kll n GLU 29 Ca -0.10 -0.46 0.03 0.00 -0.42 0.00 0.00 57.16 56.21 2kll n GLU 29 Cb 0.49 -0.10 0.38 0.00 -0.57 0.00 0.00 31.44 31.63 2kll n GLU 29 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kll h ASP 30 N -0.09 0.51 0.00 1.62 3.32 -2.06 -3.38 116.42 116.34 2kll h ASP 30 Ca -0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kll h ASP 30 Cb 0.21 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2kll h ASP 30 CO 0.06 0.42 0.00 -1.84 -1.72 0.00 0.00 179.24 176.16 2kll n GLU 31 N -4.42 0.00 -3.47 3.56 0.28 -1.26 -5.12 120.64 110.21 2kll n GLU 31 Ca 0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.74 2kll n GLU 31 Cb 0.11 -0.05 -0.03 0.00 1.43 0.00 0.00 31.44 32.90 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 6.45 -0.27 -1.84 0.15 -1.26 -5.09 113.70 111.84 2kll s SER 32 Ca 0.00 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2kll s SER 32 Cb 0.00 -2.11 0.08 0.00 -1.71 0.00 0.00 66.02 62.28 2kll s SER 32 CO 0.00 -0.12 0.01 -0.31 1.20 0.00 0.00 173.24 174.02 2kll s TYR 33 N -1.97 2.38 -0.17 3.44 1.51 -1.26 -1.88 117.35 119.40 2kll s TYR 33 Ca 0.42 -1.92 0.00 0.00 -1.01 0.00 0.00 57.07 54.57 2kll s TYR 33 Cb -0.11 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 2kll s TYR 33 CO 0.29 -0.82 -0.17 -1.21 -1.11 0.00 0.00 175.55 172.53 2kll s GLU 34 N 1.39 3.12 -0.15 -0.62 0.41 -0.90 -5.05 118.70 116.90 2kll s GLU 34 Ca 0.01 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 2kll s GLU 34 Cb -0.18 -2.63 0.02 0.00 -1.78 0.00 0.00 34.13 29.56 2kll s GLU 34 CO -0.11 -0.11 -0.14 0.42 -0.49 0.00 0.00 175.26 174.82 2kll s ILE 35 N 1.11 1.59 0.02 -1.63 1.01 -1.26 -0.35 121.20 121.70 2kll s ILE 35 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2kll s ILE 35 Cb -0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 2kll s ILE 35 CO -0.06 0.44 0.04 -0.31 0.00 0.00 0.00 174.94 175.05 2kll s TYR 36 N 1.48 0.23 -0.10 3.97 2.02 -0.77 -4.55 117.35 119.63 2kll s TYR 36 Ca 0.05 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 56.03 2kll s TYR 36 Cb -0.13 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 2kll s TYR 36 CO -0.11 -0.28 0.62 0.08 -1.57 0.00 0.00 175.55 174.29 2kll s VAL 37 N -2.02 5.09 0.32 0.71 1.01 -0.86 -0.79 120.40 123.86 2kll s VAL 37 Ca -0.10 1.25 0.09 0.00 0.00 0.00 0.00 61.98 63.21 2kll s VAL 37 Cb -0.05 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2kll s VAL 37 CO -0.02 0.26 0.01 -1.61 0.00 0.00 0.00 175.10 173.74 2kll s GLU 38 N 0.86 2.15 -0.12 2.72 0.41 -0.49 -4.93 118.70 119.29 2kll s GLU 38 Ca 0.33 -1.64 -0.07 0.00 -0.41 0.00 0.00 54.97 53.18 2kll s GLU 38 Cb -0.17 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.14 2kll s GLU 38 CO 0.14 0.20 0.12 0.34 -0.49 0.00 0.00 175.26 175.57 2kll s ASP 39 N -3.71 6.21 -0.39 -0.19 -1.08 -1.26 -1.93 116.67 114.31 2kll s ASP 39 Ca 0.34 0.40 -0.26 0.00 -0.52 0.00 0.00 52.55 52.51 2kll s ASP 39 Cb -0.02 -1.99 0.02 0.00 -1.46 0.00 0.00 42.92 39.46 2kll s ASP 39 CO 0.20 0.38 0.92 -0.76 0.52 0.00 0.00 175.17 176.43 2kll s LEU 40 N -0.85 4.00 -0.17 -1.34 1.43 -1.26 -4.99 118.68 115.49 2kll s LEU 40 Ca 0.14 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2kll s LEU 40 Cb -0.12 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2kll s LEU 40 CO 0.03 -0.91 -0.15 -0.54 0.23 0.00 0.00 176.35 175.01 2kll s LYS 41 N 3.54 3.18 1.01 1.70 1.02 -1.26 -4.96 119.74 123.98 2kll s LYS 41 Ca 0.38 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2kll s LYS 41 Cb -0.11 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2kll s LYS 41 CO 0.21 -0.06 0.00 1.63 -0.92 0.00 0.00 175.35 176.20 2kll n LYS 42 N 4.28 0.00 -3.43 1.68 4.76 -1.26 -3.65 118.16 120.54 2kll n LYS 42 Ca -0.19 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.03 2kll n LYS 42 Cb 0.51 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.60 2kll n LYS 42 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kll s ASP 43 N -4.00 2.16 -0.03 4.39 2.15 -1.26 -5.13 116.67 114.95 2kll s ASP 43 Ca 0.00 -1.27 0.04 0.00 0.43 0.00 0.00 52.55 51.75 2kll s ASP 43 Cb 0.00 0.20 -0.00 0.00 -0.30 0.00 0.00 42.92 42.81 2kll s ASP 43 CO 0.00 -0.36 -0.14 -1.61 -0.17 0.00 0.00 175.17 172.89 2kll s GLU 44 N 1.90 1.38 0.14 4.34 2.02 -1.24 -5.14 118.70 122.10 2kll s GLU 44 Ca 0.12 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 54.40 2kll s GLU 44 Cb -0.16 -1.26 -0.07 0.00 0.10 0.00 0.00 34.13 32.74 2kll s GLU 44 CO -0.22 0.23 0.66 0.15 0.02 0.00 0.00 175.26 176.10 2kll s LYS 45 N -0.04 4.29 0.51 1.61 -0.14 -1.26 -4.94 119.74 119.77 2kll s LYS 45 Ca -0.01 0.86 0.01 0.00 -1.36 0.00 0.00 55.97 55.48 2kll s LYS 45 Cb -0.09 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 2kll s LYS 45 CO 0.01 0.56 0.00 0.15 -0.76 0.00 0.00 175.35 175.31 2kll s LYS 46 N -1.37 2.18 -0.06 1.68 -0.14 -1.26 -5.12 119.74 115.66 2kll s LYS 46 Ca 0.34 -2.39 -0.27 0.00 -1.36 0.00 0.00 55.97 52.29 2kll s LYS 46 Cb -0.20 -1.53 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 2kll s LYS 46 CO 0.21 -0.35 0.87 0.34 -0.76 0.00 0.00 175.35 175.67 2kll s ASP 47 N -3.87 7.17 -0.20 2.83 -1.08 -1.26 -5.04 116.67 115.22 2kll s ASP 47 Ca 0.07 1.42 -0.09 0.00 -0.52 0.00 0.00 52.55 53.43 2kll s ASP 47 Cb 0.02 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.93 2kll s ASP 47 CO 0.04 -0.26 0.10 -0.54 0.52 0.00 0.00 175.17 175.03 2kll s LYS 48 N 1.22 4.04 -0.07 4.34 3.01 -1.26 -4.70 119.74 126.32 2kll s LYS 48 Ca 0.45 -0.30 -0.01 0.00 -1.01 0.00 0.00 55.97 55.10 2kll s LYS 48 Cb -0.19 -3.34 -0.03 0.00 -1.01 0.00 0.00 37.83 33.26 2kll s LYS 48 CO 0.21 0.22 -0.00 0.54 0.51 0.00 0.00 175.35 176.83 2kll s VAL 49 N 0.55 4.25 -0.43 3.17 0.11 0.73 -4.83 120.40 123.95 2kll s VAL 49 Ca 0.05 -0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 58.51 2kll s VAL 49 Cb -0.12 -2.80 0.02 0.00 -1.53 0.00 0.00 36.38 31.95 2kll s VAL 49 CO 0.00 0.57 1.05 -0.22 -3.33 0.00 0.00 175.10 173.18 2kll s LEU 50 N -0.99 3.81 -0.06 2.54 2.96 -0.22 -1.43 118.68 125.29 2kll s LEU 50 Ca 0.14 0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 54.56 2kll s LEU 50 Cb -0.11 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2kll s LEU 50 CO 0.04 -1.09 0.05 -0.76 -1.32 0.00 0.00 176.35 173.27 2kll s LEU 51 N 4.03 3.81 0.04 -0.68 1.43 -0.25 -1.03 118.68 126.03 2kll s LEU 51 Ca 0.44 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2kll s LEU 51 Cb -0.09 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2kll s LEU 51 CO 0.26 0.34 -0.09 -0.44 0.23 0.00 0.00 176.35 176.65 2kll s SER 52 N -1.25 1.03 0.16 2.29 0.01 -0.52 -1.49 113.70 113.93 2kll s SER 52 Ca 0.17 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 56.99 2kll s SER 52 Cb -0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2kll s SER 52 CO 0.07 -0.12 0.18 -0.31 0.41 0.00 0.00 173.24 173.47 2kll s TYR 53 N -1.13 3.24 -0.04 2.43 2.02 -0.44 -1.04 117.35 122.38 2kll s TYR 53 Ca -0.06 0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 2kll s TYR 53 Cb -0.09 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2kll s TYR 53 CO 0.01 0.52 0.11 0.71 -1.57 0.00 0.00 175.55 175.32 2kll s TYR 54 N -1.76 -0.12 0.16 2.71 1.51 -0.09 -1.29 117.35 118.46 2kll s TYR 54 Ca 0.32 0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.71 2kll s TYR 54 Cb -0.10 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 2kll s TYR 54 CO 0.25 -0.07 0.19 -1.83 -1.11 0.00 0.00 175.55 172.98 2kll s GLU 55 N 0.18 3.09 0.18 -0.62 1.03 -1.26 -0.36 118.70 120.93 2kll s GLU 55 Ca -0.01 -0.77 0.10 0.00 0.03 0.00 0.00 54.97 54.32 2kll s GLU 55 Cb -0.02 -2.76 -0.04 0.00 -0.80 0.00 0.00 34.13 30.51 2kll s GLU 55 CO -0.00 0.50 -0.21 0.45 -1.33 0.00 0.00 175.26 174.66 2kll s SER 56 N -3.13 3.09 -0.04 0.83 0.15 -1.26 -4.87 113.70 108.47 2kll s SER 56 Ca 0.32 -0.86 0.03 0.00 0.70 0.00 0.00 55.95 56.14 2kll s SER 56 Cb -0.10 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2kll s SER 56 CO 0.25 0.05 -0.12 0.00 1.20 0.00 0.00 173.24 174.63 2kll s GLN 57 N -2.72 1.34 -0.26 5.44 -2.07 -1.26 -4.83 119.66 115.31 2kll s GLN 57 Ca 0.18 -0.40 -0.11 0.00 -1.82 0.00 0.00 55.36 53.22 2kll s GLN 57 Cb -0.07 -1.19 -0.05 0.00 -1.09 0.00 0.00 33.01 30.61 2kll s GLN 57 CO 0.08 0.12 0.18 -1.58 -1.32 0.00 0.00 175.29 172.77 2kll s HIS 58 N 0.30 3.26 0.52 9.60 5.65 -1.26 -5.03 115.29 128.33 2kll s HIS 58 Ca -0.06 0.16 -0.21 0.00 0.25 0.00 0.00 55.06 55.20 2kll s HIS 58 Cb -0.11 -2.33 -0.06 0.00 -1.18 0.00 0.00 32.58 28.90 2kll s HIS 58 CO 0.02 -0.07 1.17 -1.25 -0.65 0.00 0.00 174.74 173.96 2kll s PRO 59 N 1.46 3.40 -0.77 2.88 0.04 -1.26 -4.11 135.00 136.65 2kll s PRO 59 Ca 0.07 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 2kll s PRO 59 Cb -0.15 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 2kll s PRO 59 CO 0.08 -0.84 0.70 0.45 0.04 0.00 0.00 177.00 177.43 2kll n SER 60 N -1.07 -7.38 0.00 6.66 2.88 -1.26 -4.89 113.62 108.56 2kll n SER 60 Ca 0.10 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2kll n SER 60 Cb 0.49 -4.85 0.00 0.00 -0.75 0.00 0.00 64.21 59.10 2kll n SER 60 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2kll n ASN 61 N -1.94 0.00 -2.80 -3.46 5.15 -1.26 -5.12 115.26 105.84 2kll n ASN 61 Ca -0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.93 2kll n ASN 61 Cb 0.53 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.77 2kll n ASN 61 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kll n GLU 62 N -1.17 -3.07 -1.91 1.20 2.13 -1.26 -4.91 120.64 111.64 2kll n GLU 62 Ca 0.00 2.51 -0.37 0.00 0.66 0.00 0.00 57.16 59.96 2kll n GLU 62 Cb 0.00 -4.37 0.04 0.00 0.27 0.00 0.00 31.44 27.38 2kll n GLU 62 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2kll s SER 63 N -1.27 5.22 0.00 4.31 0.01 -1.26 -4.93 113.70 115.77 2kll s SER 63 Ca -0.05 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.76 2kll s SER 63 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2kll s SER 63 CO 0.62 -1.59 0.27 0.61 0.41 0.00 0.00 173.24 173.57 2kll n GLY 64 N 0.65 -1.20 2.76 3.44 0.00 -1.26 -5.09 105.19 104.49 2kll n GLY 64 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -7.69 0.00 1.61 9.92 -1.26 -4.97 116.55 114.16 2kll n ASP 65 Ca 0.00 1.35 0.00 0.00 -0.53 0.00 0.00 54.79 55.61 2kll n ASP 65 Cb 0.49 -5.01 0.00 0.00 -0.64 0.00 0.00 41.12 35.96 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 0.80 0.01 2.85 0.44 0.00 -1.26 -5.14 105.19 102.89 2kll n GLY 66 Ca -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2kll n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kll s VAL 67 N -1.29 -0.04 0.50 1.61 -7.23 -1.26 -5.11 120.40 107.58 2kll s VAL 67 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2kll s VAL 67 Cb 0.00 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.82 2kll s VAL 67 CO 0.00 0.06 0.00 0.47 -0.31 0.00 0.00 175.10 175.32 2kll n ASP 68 N 3.85 -7.30 -3.73 4.85 9.92 -1.26 -5.01 116.55 117.87 2kll n ASP 68 Ca -0.23 1.13 -0.13 0.00 -0.53 0.00 0.00 54.79 55.03 2kll n ASP 68 Cb 0.53 -4.30 -0.10 0.00 -0.64 0.00 0.00 41.12 36.62 2kll n ASP 68 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kll s GLY 69 N -6.94 -0.28 0.36 0.44 0.00 -1.26 -4.95 107.32 94.69 2kll s GLY 69 Ca 0.00 1.00 -0.28 0.00 0.00 0.00 0.00 44.72 45.44 2kll s GLY 69 CO 0.00 0.82 1.30 0.54 0.00 0.00 0.00 173.10 175.76 2kll s LYS 70 N -0.11 4.21 0.15 2.90 -0.14 -1.26 -4.97 119.74 120.52 2kll s LYS 70 Ca -0.03 2.17 -0.30 0.00 -1.36 0.00 0.00 55.97 56.45 2kll s LYS 70 Cb -0.03 -2.94 -0.07 0.00 -1.68 0.00 0.00 37.83 33.10 2kll s LYS 70 CO 0.02 -0.30 1.22 0.00 -0.76 0.00 0.00 175.35 175.53 2kll s MET 71 N -1.97 4.46 -0.23 1.68 0.23 -1.26 -4.87 119.30 117.33 2kll s MET 71 Ca 0.52 1.87 -0.15 0.00 -1.03 0.00 0.00 55.69 56.90 2kll s MET 71 Cb -0.39 -3.27 -0.04 0.00 -1.53 0.00 0.00 34.83 29.61 2kll s MET 71 CO 0.51 -0.17 0.38 -0.51 -2.03 0.00 0.00 175.02 173.20 2kll s LEU 72 N 0.21 4.11 0.67 0.18 1.43 -1.26 -4.03 118.68 119.99 2kll s LEU 72 Ca 0.55 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.99 2kll s LEU 72 Cb -0.32 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2kll s LEU 72 CO 0.34 -0.11 0.99 -0.04 0.23 0.00 0.00 176.35 177.77 2kll s MET 73 N 1.57 2.56 -0.01 1.70 -1.94 0.51 -2.56 119.30 121.14 2kll s MET 73 Ca 0.17 -0.03 -0.07 0.00 -1.71 0.00 0.00 55.69 54.04 2kll s MET 73 Cb -0.15 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.52 2kll s MET 73 CO 0.08 -1.02 0.15 0.54 -0.01 0.00 0.00 175.02 174.76 2kll s VAL 74 N -3.18 0.07 -0.05 -6.03 0.11 0.25 -0.92 120.40 110.65 2kll s VAL 74 Ca 0.57 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2kll s VAL 74 Cb -0.11 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2kll s VAL 74 CO 0.46 -0.32 -0.16 0.42 -3.33 0.00 0.00 175.10 172.17 2kll s THR 75 N -1.16 1.36 -0.27 5.04 -4.23 -0.21 -1.31 115.64 114.85 2kll s THR 75 Ca -0.12 -0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 2kll s THR 75 Cb -0.07 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.62 2kll s THR 75 CO 0.01 0.40 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.71 2kll s LEU 76 N 0.26 3.54 -0.33 4.79 1.43 -1.26 -1.43 118.68 125.68 2kll s LEU 76 Ca -0.08 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 2kll s LEU 76 Cb -0.13 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.49 2kll s LEU 76 CO 0.03 -0.19 0.06 -0.55 0.23 0.00 0.00 176.35 175.93 2kll s SER 77 N 1.31 4.56 0.09 2.29 0.15 -0.20 -1.75 113.70 120.16 2kll s SER 77 Ca -0.02 -2.01 0.20 0.00 0.70 0.00 0.00 55.95 54.82 2kll s SER 77 Cb -0.18 -1.42 0.83 0.00 -1.71 0.00 0.00 66.02 63.54 2kll s SER 77 CO -0.02 -0.39 1.63 -0.81 1.20 0.00 0.00 173.24 174.84 2kll n PRO 78 N 4.42 0.08 0.00 5.44 -0.04 -1.26 -1.06 135.00 142.58 2kll n PRO 78 Ca 0.02 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2kll n PRO 78 Cb 0.42 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.78 0.00 0.00 0.52 -2.24 -1.26 -4.80 114.28 104.72 2kll n THR 79 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 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 -4.79 118.16 116.00 2kll n LYS 80 Ca 0.00 0.35 -0.22 0.00 -2.87 0.00 0.00 58.31 55.56 2kll n LYS 80 Cb 0.00 -0.85 -0.12 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.15 1.91 -4.64 4.39 8.00 -1.26 -4.93 116.55 117.87 2kll n ASP 81 Ca 0.00 0.38 -0.56 0.00 0.71 0.00 0.00 54.79 55.33 2kll n ASP 81 Cb 0.00 -0.94 -0.07 0.00 -0.02 0.00 0.00 41.12 40.09 2kll n ASP 81 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2kll n PHE 82 N -4.27 1.66 -4.31 1.24 3.01 -1.26 -4.74 117.46 108.79 2kll n PHE 82 Ca -0.33 0.66 -0.26 0.00 1.01 0.00 0.00 57.45 58.53 2kll n PHE 82 Cb 0.75 -2.35 -0.09 0.00 -0.01 0.00 0.00 39.48 37.78 2kll n PHE 82 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2kll s TRP 83 N 1.73 2.62 -0.23 1.38 0.51 -0.45 -4.27 118.94 120.22 2kll s TRP 83 Ca 0.91 -0.23 -0.29 0.00 -2.12 0.00 0.00 56.10 54.37 2kll s TRP 83 Cb -1.05 -1.25 -0.01 0.00 -0.81 0.00 0.00 33.47 30.34 2kll s TRP 83 CO 0.57 0.54 1.37 -0.51 -0.51 0.00 0.00 176.95 178.41 2kll s LEU 84 N -3.01 4.00 -0.07 2.99 1.02 -0.72 -1.28 118.68 121.61 2kll s LEU 84 Ca 0.26 1.49 0.05 0.00 0.02 0.00 0.00 54.13 55.95 2kll s LEU 84 Cb -0.08 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.59 2kll s LEU 84 CO 0.16 -1.01 -0.23 -1.00 0.02 0.00 0.00 176.35 174.29 2kll s HIS 85 N 4.26 2.31 -0.28 0.29 3.76 -0.29 -4.49 115.29 120.84 2kll s HIS 85 Ca 0.60 -0.80 -0.10 0.00 -0.15 0.00 0.00 55.06 54.60 2kll s HIS 85 Cb -0.21 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 2kll s HIS 85 CO 0.22 -0.29 0.16 0.00 -0.85 0.00 0.00 174.74 173.97 2kll s ALA 86 N 0.13 3.40 -0.42 -1.40 0.00 -1.24 -1.40 121.76 120.82 2kll s ALA 86 Ca -0.11 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 2kll s ALA 86 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.61 2kll s ALA 86 CO 0.06 -0.60 0.78 -0.80 0.00 0.00 0.00 175.76 175.19 2kll s ASN 87 N 1.70 6.45 0.00 0.00 -0.87 -0.20 -4.90 114.94 117.12 2kll s ASN 87 Ca 0.07 0.03 0.19 0.00 -1.57 0.00 0.00 52.86 51.58 2kll s ASN 87 Cb -0.16 -2.39 1.03 0.00 -0.02 0.00 0.00 41.25 39.72 2kll s ASN 87 CO 0.08 -0.85 1.56 -3.20 -2.57 0.00 0.00 177.10 172.13 2kll n ASN 88 N 6.60 0.00 0.13 -1.22 5.15 -1.26 -1.12 115.26 123.54 2kll n ASN 88 Ca 0.02 -0.23 -0.11 0.00 -0.60 0.00 0.00 54.58 53.66 2kll n ASN 88 Cb 0.48 -0.17 -0.07 0.00 -0.53 0.00 0.00 39.78 39.49 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 -0.38 -0.22 1.20 1.57 -1.94 -3.35 116.57 113.45 2kll h LYS 89 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2kll h LYS 89 Cb 0.11 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2kll h LYS 89 CO 0.00 -0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.23 2kll n GLU 90 N -5.06 2.79 -3.41 3.15 1.02 -1.21 -4.97 120.64 112.94 2kll n GLU 90 Ca -0.08 -2.11 -0.25 0.00 -0.02 0.00 0.00 57.16 54.70 2kll n GLU 90 Cb 0.26 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.07 -2.14 -4.54 -0.32 8.25 -0.27 -4.95 115.22 111.17 2kll n HIS 91 Ca 0.11 0.68 -0.31 0.00 -0.26 0.00 0.00 57.72 57.94 2kll n HIS 91 Cb 0.49 -4.05 -0.12 0.00 1.12 0.00 0.00 29.99 27.43 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 -2.94 4.07 -0.17 0.41 0.01 -1.05 -1.29 113.70 112.74 2kll s SER 92 Ca 0.46 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 57.30 2kll s SER 92 Cb -0.22 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 2kll s SER 92 CO 0.57 0.25 0.02 -0.69 0.41 0.00 0.00 173.24 173.79 2kll s VAL 93 N -0.99 4.35 -0.01 3.43 1.01 -1.26 -1.03 120.40 125.90 2kll s VAL 93 Ca 0.16 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2kll s VAL 93 Cb -0.11 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2kll s VAL 93 CO 0.07 0.47 0.24 -1.83 0.00 0.00 0.00 175.10 174.06 2kll s GLU 94 N 0.39 0.59 -0.06 2.72 1.03 -0.50 -4.91 118.70 117.96 2kll s GLU 94 Ca -0.00 -0.26 -0.17 0.00 0.03 0.00 0.00 54.97 54.57 2kll s GLU 94 Cb -0.13 0.25 -0.05 0.00 -0.80 0.00 0.00 34.13 33.40 2kll s GLU 94 CO 0.02 -0.15 0.47 -0.48 -1.33 0.00 0.00 175.26 173.78 2kll s LEU 95 N -1.31 4.36 -0.00 1.83 2.34 -1.26 -1.14 118.68 123.50 2kll s LEU 95 Ca -0.14 0.91 -0.06 0.00 0.06 0.00 0.00 54.13 54.90 2kll s LEU 95 Cb -0.06 -2.69 0.00 0.00 -0.56 0.00 0.00 46.19 42.88 2kll s LEU 95 CO 0.03 0.12 0.12 -1.00 -1.06 0.00 0.00 176.35 174.56 2kll s HIS 96 N -0.03 0.03 -0.16 3.48 3.76 -0.41 -4.86 115.29 117.10 2kll s HIS 96 Ca 0.26 -0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 54.92 2kll s HIS 96 Cb -0.16 -0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 2kll s HIS 96 CO 0.12 -0.25 0.36 0.21 -0.85 0.00 0.00 174.74 174.34 2kll s LYS 97 N -1.18 4.26 0.35 1.40 2.20 -1.26 -1.34 119.74 124.16 2kll s LYS 97 Ca -0.13 0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 2kll s LYS 97 Cb -0.07 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2kll s LYS 97 CO 0.01 0.15 0.19 0.00 -0.36 0.00 0.00 175.35 175.33 2kll n GLU 99 N -0.73 -3.38 0.05 0.00 -0.58 -1.26 -4.92 120.64 109.81 2kll n GLU 99 Ca -0.00 -0.98 -0.11 0.00 -0.42 0.00 0.00 57.16 55.65 2kll n GLU 99 Cb 0.56 -2.00 -0.05 0.00 -0.57 0.00 0.00 31.44 29.37 2kll n GLU 99 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2kll h LYS 100 N -3.04 -0.14 -5.34 3.49 1.63 -2.02 -3.39 116.57 107.75 2kll h LYS 100 Ca -0.53 0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 58.97 2kll h LYS 100 Cb 1.32 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 2kll h LYS 100 CO 0.38 -0.10 1.20 -0.35 -3.45 0.00 0.00 179.45 177.14 2kll n PRO 101 N -5.21 0.58 -1.79 1.90 -0.04 -1.26 -4.88 135.00 124.29 2kll n PRO 101 Ca -0.06 -0.27 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 2kll n PRO 101 Cb 0.13 -2.88 -0.02 0.00 -0.04 0.00 0.00 33.50 30.69 2kll n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kll s LEU 102 N 10.92 4.35 0.63 1.53 1.43 -1.26 -5.00 118.68 131.29 2kll s LEU 102 Ca 1.07 2.90 -0.09 0.00 -1.03 0.00 0.00 54.13 56.99 2kll s LEU 102 Cb -0.43 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.16 2kll s LEU 102 CO 0.28 -0.90 0.99 -2.16 0.23 0.00 0.00 176.35 174.79 2kll s PRO 103 N -0.17 3.04 0.61 1.29 0.04 -1.26 -4.96 135.00 133.60 2kll s PRO 103 Ca 0.65 0.31 0.40 0.00 0.04 0.00 0.00 61.00 62.40 2kll s PRO 103 Cb -0.47 -2.15 2.01 0.00 0.04 0.00 0.00 34.50 33.92 2kll s PRO 103 CO 0.44 -0.78 2.21 0.38 0.04 0.00 0.00 177.00 179.29 2kll h ASP 104 N -0.36 0.00 -0.10 6.66 3.04 -1.94 -0.52 116.42 123.20 2kll h ASP 104 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 2kll h ASP 104 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2kll h ASP 104 CO 0.62 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.82 2kll n GLN 105 N -3.04 1.36 -0.01 4.15 6.02 -1.26 -3.31 117.38 121.30 2kll n GLN 105 Ca -0.02 -0.54 0.08 0.00 -0.01 0.00 0.00 57.00 56.50 2kll n GLN 105 Cb 0.15 -1.28 -0.11 0.00 1.02 0.00 0.00 30.24 30.02 2kll n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kll n ALA 106 N -0.19 2.70 -2.74 -1.58 0.00 -0.20 -3.68 120.51 114.82 2kll n ALA 106 Ca 0.12 -0.37 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 2kll n ALA 106 Cb 0.18 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.98 3.31 -0.06 0.00 0.08 -1.21 -4.52 117.98 112.60 2kll s PHE 107 Ca -0.04 0.18 0.06 0.00 0.12 0.00 0.00 56.93 57.24 2kll s PHE 107 Cb 0.10 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 2kll s PHE 107 CO 0.63 0.12 -0.23 -0.06 -0.10 0.00 0.00 175.22 175.57 2kll s PHE 108 N 0.75 2.48 -0.37 0.36 0.08 -0.43 -3.89 117.98 116.96 2kll s PHE 108 Ca 0.07 -0.65 -0.26 0.00 0.12 0.00 0.00 56.93 56.21 2kll s PHE 108 Cb -0.13 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2kll s PHE 108 CO 0.02 -0.17 0.94 0.08 -0.10 0.00 0.00 175.22 175.99 2kll s VAL 109 N -0.21 4.56 0.22 -0.44 1.01 0.59 0.88 120.40 127.01 2kll s VAL 109 Ca -0.02 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 2kll s VAL 109 Cb -0.13 -4.35 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 2kll s VAL 109 CO 0.03 -0.57 1.04 -0.22 0.00 0.00 0.00 175.10 175.39 2kll s LEU 110 N 3.54 4.55 -0.03 3.92 2.96 -1.06 -0.94 118.68 131.63 2kll s LEU 110 Ca 0.39 2.09 0.01 0.00 -0.22 0.00 0.00 54.13 56.39 2kll s LEU 110 Cb -0.12 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.98 2kll s LEU 110 CO 0.19 -0.08 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.12 2kll s HIS 111 N -0.79 0.43 0.02 5.38 3.76 -0.35 -4.78 115.29 118.97 2kll s HIS 111 Ca 0.45 -0.07 -0.30 0.00 -0.15 0.00 0.00 55.06 54.99 2kll s HIS 111 Cb -0.29 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.92 2kll s HIS 111 CO 0.36 -0.11 1.20 -0.80 -0.85 0.00 0.00 174.74 174.54 2kll s ASN 112 N 0.72 7.07 -0.16 1.40 -0.87 -1.26 -1.00 114.94 120.85 2kll s ASN 112 Ca -0.08 1.94 -0.12 0.00 -1.57 0.00 0.00 52.86 53.03 2kll s ASN 112 Cb -0.11 -2.57 -0.07 0.00 -0.02 0.00 0.00 41.25 38.48 2kll s ASN 112 CO -0.01 -0.51 -0.27 0.23 -2.57 0.00 0.00 177.10 173.97 2kll n MET 113 N 4.43 0.42 -0.33 -0.60 2.81 -0.78 -4.93 117.12 118.14 2kll n MET 113 Ca 0.10 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2kll n MET 113 Cb 0.46 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 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 -4.11 0.00 0.06 2.03 8.25 -0.85 -4.98 115.22 115.62 2kll n HIS 114 Ca -0.24 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.10 2kll n HIS 114 Cb 0.57 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.78 0.00 0.41 0.87 -2.01 -3.31 113.55 108.73 2kll h SER 115 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kll h SER 115 Cb 0.00 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2kll h SER 115 CO 0.00 -0.33 0.00 0.59 -0.53 0.00 0.00 176.83 176.56 2kll n ASN 116 N -5.38 0.96 -4.78 6.23 4.13 -1.26 -5.03 115.26 110.13 2kll n ASN 116 Ca -0.05 -1.14 -0.39 0.00 1.68 0.00 0.00 54.58 54.69 2kll n ASN 116 Cb 0.29 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.47 2kll n ASN 116 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kll s VAL 118 N -0.55 1.09 -0.00 0.00 -7.23 -0.30 -1.86 120.40 111.54 2kll s VAL 118 Ca 0.30 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 2kll s VAL 118 Cb -0.19 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 2kll s VAL 118 CO 0.18 -0.45 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.49 2kll s SER 119 N -3.27 1.03 -0.59 4.85 1.04 -0.17 -1.14 113.70 115.46 2kll s SER 119 Ca 0.25 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 2kll s SER 119 Cb 0.05 -0.11 0.15 0.00 0.10 0.00 0.00 66.02 66.20 2kll s SER 119 CO 0.06 0.09 0.52 -0.36 0.98 0.00 0.00 173.24 174.54 2kll s PHE 120 N -0.27 3.38 0.27 5.02 0.40 -1.26 -1.21 117.98 124.32 2kll s PHE 120 Ca 0.03 -1.57 -0.20 0.00 -0.60 0.00 0.00 56.93 54.60 2kll s PHE 120 Cb -0.04 -3.74 -0.09 0.00 0.51 0.00 0.00 43.02 39.67 2kll s PHE 120 CO -0.00 -1.01 0.77 -2.00 0.70 0.00 0.00 175.22 173.69 2kll s GLU 121 N 1.24 4.25 -0.18 0.44 2.12 -0.11 -1.34 118.70 125.11 2kll s GLU 121 Ca 0.07 0.91 -0.28 0.00 0.36 0.00 0.00 54.97 56.03 2kll s GLU 121 Cb -0.25 -2.73 -0.00 0.00 0.26 0.00 0.00 34.13 31.40 2kll s GLU 121 CO -0.00 0.30 0.96 0.00 -0.54 0.00 0.00 175.26 175.98 2kll h LYS 123 N 7.35 0.00 0.00 0.00 3.64 -1.85 -2.79 116.57 122.93 2kll h LYS 123 Ca -0.25 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2kll h LYS 123 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2kll h LYS 123 CO 0.90 0.00 -1.91 0.25 -2.27 0.00 0.00 179.45 176.43 2kll n THR 124 N -3.10 0.47 -3.88 1.00 -2.24 -1.26 -4.76 114.28 100.51 2kll n THR 124 Ca -0.01 -0.51 -0.28 0.00 -2.27 0.00 0.00 64.05 60.98 2kll n THR 124 Cb 0.21 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.30 2.91 -4.67 3.42 9.92 -1.05 -5.09 116.55 119.68 2kll n ASP 125 Ca -0.13 -3.19 -0.44 0.00 -0.53 0.00 0.00 54.79 50.50 2kll n ASP 125 Cb 0.69 -0.75 -0.02 0.00 -0.64 0.00 0.00 41.12 40.39 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 1.97 2.05 -0.02 -0.24 -0.02 -1.22 -1.65 135.00 135.88 2kll n PRO 126 Ca 0.20 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2kll n PRO 126 Cb 0.36 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.00 0.95 3.69 -1.23 0.00 -1.26 -5.04 105.19 104.30 2kll n GLY 127 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.34 5.06 0.02 1.61 1.01 -0.66 -1.47 120.40 123.64 2kll s VAL 128 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2kll s VAL 128 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2kll s VAL 128 CO 0.00 0.47 -0.14 -0.36 0.00 0.00 0.00 175.10 175.08 2kll s PHE 129 N 0.18 1.20 0.05 5.22 0.40 -0.42 -1.13 117.98 123.48 2kll s PHE 129 Ca 0.06 -0.30 -0.31 0.00 -0.60 0.00 0.00 56.93 55.78 2kll s PHE 129 Cb -0.12 -0.73 -0.06 0.00 0.51 0.00 0.00 43.02 42.62 2kll s PHE 129 CO -0.00 0.01 1.30 0.42 0.70 0.00 0.00 175.22 177.65 2kll s ILE 130 N -0.65 3.76 0.26 0.64 1.01 -0.45 -0.80 121.20 124.98 2kll s ILE 130 Ca 0.03 1.23 -0.21 0.00 0.00 0.00 0.00 60.65 61.70 2kll s ILE 130 Cb -0.07 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.64 2kll s ILE 130 CO 0.01 0.07 0.69 -0.83 0.00 0.00 0.00 174.94 174.88 2kll s GLY 131 N 1.29 -0.13 -0.55 6.18 0.00 -0.52 -4.56 107.32 109.02 2kll s GLY 131 Ca 0.61 -0.23 -0.28 0.00 0.00 0.00 0.00 44.72 44.82 2kll s GLY 131 CO 0.28 -0.08 1.16 0.14 0.00 0.00 0.00 173.10 174.60 2kll s VAL 132 N -3.90 4.10 0.00 1.40 1.01 -1.09 -0.35 120.40 121.55 2kll s VAL 132 Ca 0.10 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2kll s VAL 132 Cb -0.05 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.65 2kll s VAL 132 CO 0.04 -1.24 0.00 1.17 0.00 0.00 0.00 175.10 175.08 2kll n LYS 133 N 8.21 0.00 -0.08 2.72 3.00 0.24 -4.83 118.16 127.41 2kll n LYS 133 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.27 2kll n LYS 133 Cb 0.49 -0.15 -0.07 0.00 0.00 0.00 0.00 35.03 35.30 2kll n LYS 133 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2kll h ASP 134 N 0.00 0.00 0.00 3.14 2.03 -1.96 -3.45 116.42 116.18 2kll h ASP 134 Ca 0.00 -0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 2kll h ASP 134 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2kll h ASP 134 CO 0.00 1.09 -0.03 0.59 -1.03 0.00 0.00 179.24 179.85 2kll n ASN 135 N -4.54 0.00 -2.73 4.15 4.13 -1.26 -5.09 115.26 109.92 2kll n ASN 135 Ca -0.18 -1.07 -0.12 0.00 1.68 0.00 0.00 54.58 54.88 2kll n ASN 135 Cb 0.45 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 38.65 2kll n ASN 135 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kll n HIS 136 N 0.00 -1.42 -2.62 3.10 1.44 -1.26 -2.03 115.22 112.43 2kll n HIS 136 Ca 0.00 -2.01 -0.36 0.00 -2.01 0.00 0.00 57.72 53.34 2kll n HIS 136 Cb 0.51 0.52 -0.05 0.00 0.12 0.00 0.00 29.99 31.09 2kll n HIS 136 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2kll s LEU 137 N 0.00 4.16 -0.05 2.39 1.43 -1.26 -0.59 118.68 124.76 2kll s LEU 137 Ca 0.24 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 55.01 2kll s LEU 137 Cb -0.01 -4.18 0.11 0.00 0.03 0.00 0.00 46.19 42.13 2kll s LEU 137 CO 0.17 -0.40 0.94 0.00 0.23 0.00 0.00 176.35 177.30 2kll s ALA 138 N -1.70 -1.87 -0.68 4.21 0.00 0.52 -4.20 121.76 118.05 2kll s ALA 138 Ca 0.57 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 53.43 2kll s ALA 138 Cb -0.20 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.13 2kll s ALA 138 CO 0.25 -0.63 1.53 -0.51 0.00 0.00 0.00 175.76 176.41 2kll s LEU 139 N -2.26 3.23 -0.27 0.00 1.43 -0.41 -1.44 118.68 118.96 2kll s LEU 139 Ca 0.05 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 2kll s LEU 139 Cb -0.01 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 2kll s LEU 139 CO -0.07 -2.06 0.32 -0.63 0.23 0.00 0.00 176.35 174.14 2kll s ILE 140 N 7.15 5.22 -0.23 -0.59 1.01 0.02 -4.90 121.20 128.88 2kll s ILE 140 Ca 0.49 0.45 -0.28 0.00 0.00 0.00 0.00 60.65 61.32 2kll s ILE 140 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2kll s ILE 140 CO 0.18 0.19 0.97 -0.75 0.00 0.00 0.00 174.94 175.53 2kll s LYS 141 N 1.94 4.25 -0.04 2.79 2.20 -1.26 -1.30 119.74 128.32 2kll s LYS 141 Ca 0.13 1.22 0.02 0.00 -0.36 0.00 0.00 55.97 56.98 2kll s LYS 141 Cb -0.16 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2kll s LYS 141 CO 0.10 -0.57 -0.08 0.08 -0.36 0.00 0.00 175.35 174.52 2kll s VAL 142 N 3.00 0.78 -0.10 4.02 1.01 -0.54 -4.99 120.40 123.58 2kll s VAL 142 Ca 0.41 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2kll s VAL 142 Cb -0.15 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2kll s VAL 142 CO 0.07 0.26 0.22 -0.62 0.00 0.00 0.00 175.10 175.03 2kll s ASP 143 N 0.51 6.49 0.39 3.32 -1.08 -1.26 -4.66 116.67 120.37 2kll s ASP 143 Ca -0.08 0.58 -0.27 0.00 -0.52 0.00 0.00 52.55 52.25 2kll s ASP 143 Cb -0.12 -2.12 -0.10 0.00 -1.46 0.00 0.00 42.92 39.11 2kll s ASP 143 CO 0.01 0.35 1.49 -0.44 0.52 0.00 0.00 175.17 177.10 2kll s SER 144 N -0.84 6.22 0.00 -0.34 0.01 -1.26 -1.60 113.70 115.89 2kll s SER 144 Ca 0.17 3.05 0.00 0.00 1.31 0.00 0.00 55.95 60.48 2kll s SER 144 Cb -0.13 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2kll s SER 144 CO 0.06 -0.96 0.00 -0.24 0.41 0.00 0.00 173.24 172.51 2kll n SER 145 N 0.30 -1.32 -0.05 2.44 2.88 -1.26 -4.72 113.62 111.89 2kll n SER 145 Ca 0.02 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2kll n SER 145 Cb 0.40 -2.20 -0.02 0.00 -0.75 0.00 0.00 64.21 61.63 2kll n SER 145 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kll n GLU 146 N -1.47 0.38 -2.73 -1.46 2.13 -0.63 -4.83 120.64 112.03 2kll n GLU 146 Ca 0.00 0.15 -0.23 0.00 0.66 0.00 0.00 57.16 57.74 2kll n GLU 146 Cb 0.10 -1.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.63 2kll n GLU 146 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kll n ASN 147 N -4.19 3.69 0.06 4.31 5.03 -0.82 -4.81 115.26 118.54 2kll n ASN 147 Ca -0.10 -3.47 0.13 0.00 0.87 0.00 0.00 54.58 52.01 2kll n ASN 147 Cb 0.37 -0.52 0.49 0.00 -1.02 0.00 0.00 39.78 39.10 2kll n ASN 147 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2kll n LEU 148 N -0.26 0.48 -0.53 3.41 4.77 -1.26 -2.91 117.00 120.71 2kll n LEU 148 Ca 0.30 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.89 2kll n LEU 148 Cb 0.60 -0.40 0.20 0.00 -2.33 0.00 0.00 43.42 41.49 2kll n LEU 148 CO 0.31 -0.13 0.65 0.00 -1.33 0.00 0.00 177.39 176.89 2kll s THR 150 N -1.65 3.61 0.06 0.00 2.01 -1.14 -4.84 115.64 113.69 2kll s THR 150 Ca 0.23 0.42 0.32 0.00 0.31 0.00 0.00 61.69 62.97 2kll s THR 150 Cb 0.12 -4.42 0.35 0.00 0.01 0.00 0.00 72.50 68.55 2kll s THR 150 CO 0.17 -1.31 1.97 1.05 -0.69 0.00 0.00 174.62 175.81 2kll h GLU 151 N 12.05 0.00 -0.51 4.92 9.09 -1.92 -2.78 114.58 135.43 2kll h GLU 151 Ca -0.27 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.11 2kll h GLU 151 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 2kll h GLU 151 CO 1.22 0.00 0.20 -0.91 0.05 0.00 0.00 179.01 179.57 2kll h ASN 152 N 0.00 0.67 0.67 3.06 4.21 -1.88 -2.23 115.58 120.08 2kll h ASN 152 Ca 0.00 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2kll h ASN 152 Cb 0.28 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2kll h ASN 152 CO 0.00 0.61 -0.54 2.30 -1.29 0.00 0.00 177.43 178.51 2kll n ILE 153 N -4.34 0.14 -2.65 2.81 -5.35 -1.05 -2.69 119.36 106.24 2kll n ILE 153 Ca 0.04 -0.12 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 2kll n ILE 153 Cb 0.16 0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.10 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 -3.51 4.08 0.24 7.28 1.43 -0.84 -4.34 118.68 123.01 2kll s LEU 154 Ca 0.09 1.34 0.11 0.00 -1.03 0.00 0.00 54.13 54.64 2kll s LEU 154 Cb 0.16 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2kll s LEU 154 CO 0.70 -0.71 -0.16 -0.36 0.23 0.00 0.00 176.35 176.05 2kll s PHE 155 N 3.29 2.42 -0.05 0.29 0.08 -0.29 -3.23 117.98 120.48 2kll s PHE 155 Ca 0.45 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.22 2kll s PHE 155 Cb -0.15 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.20 2kll s PHE 155 CO 0.08 0.61 -0.10 0.15 -0.10 0.00 0.00 175.22 175.85 2kll s LYS 156 N -3.19 1.40 0.26 0.44 1.02 0.15 -1.15 119.74 118.67 2kll s LYS 156 Ca 0.27 -0.34 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2kll s LYS 156 Cb -0.07 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 36.01 2kll s LYS 156 CO 0.14 0.03 0.39 -0.51 -0.92 0.00 0.00 175.35 174.48 2kll s LEU 157 N 0.61 4.23 -0.06 3.17 1.43 -1.26 -0.77 118.68 126.03 2kll s LEU 157 Ca -0.12 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2kll s LEU 157 Cb -0.14 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.25 2kll s LEU 157 CO 0.02 -0.16 0.15 -0.44 0.23 0.00 0.00 176.35 176.16 2kll s SER 158 N -4.02 -0.15 -0.95 2.29 0.01 -1.26 -4.96 113.70 104.66 2kll s SER 158 Ca 0.37 0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.79 2kll s SER 158 Cb -0.09 0.27 0.20 0.00 0.21 0.00 0.00 66.02 66.61 2kll s SER 158 CO 0.30 -0.09 1.00 -1.61 0.41 0.00 0.00 173.24 173.26 2kll s GLU 159 N 0.47 3.76 0.00 12.44 8.01 -1.26 -4.18 118.70 137.94 2kll s GLU 159 Ca -0.03 -2.40 0.13 0.00 0.01 0.00 0.00 54.97 52.68 2kll s GLU 159 Cb -0.05 -4.66 0.10 0.00 -4.31 0.00 0.00 34.13 25.21 2kll s GLU 159 CO -0.02 -1.48 0.92 2.41 0.01 0.00 0.00 175.26 177.10