#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kll s SER 1 N 0.00 5.95 0.00 1.61 0.01 -1.26 -4.93 113.70 115.08 2kll s SER 1 Ca 0.00 -2.33 0.00 0.00 1.31 0.00 0.00 55.95 54.93 2kll s SER 1 Cb 0.00 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2kll s SER 1 CO 0.00 -0.61 0.00 -0.24 0.41 0.00 0.00 173.24 172.80 2kll n SER 2 N 4.37 0.00 -0.01 2.44 2.88 -1.26 -2.91 113.62 119.13 2kll n SER 2 Ca 0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.53 2kll n SER 2 Cb 0.42 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 2kll n SER 2 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kll n ILE 3 N 0.00 0.58 -2.71 2.46 2.08 -1.26 -4.95 119.36 115.56 2kll n ILE 3 Ca 0.00 0.27 -0.03 0.00 0.56 0.00 0.00 62.75 63.55 2kll n ILE 3 Cb 0.00 -1.59 0.02 0.00 -0.75 0.00 0.00 39.64 37.32 2kll n ILE 3 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2kll s THR 4 N -1.63 -0.49 -1.28 1.39 -1.32 -1.14 -4.59 115.64 106.57 2kll s THR 4 Ca -0.07 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2kll s THR 4 Cb 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 71.00 2kll s THR 4 CO 0.10 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 2kll n GLY 5 N 2.73 0.12 3.79 6.08 0.00 -1.24 -4.61 105.19 112.07 2kll n GLY 5 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.51 3.64 0.01 -0.61 -4.36 -1.26 -5.02 121.20 111.09 2kll s ILE 6 Ca 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 2kll s ILE 6 Cb 0.00 -3.37 -0.01 0.00 1.25 0.00 0.00 42.46 40.33 2kll s ILE 6 CO 0.00 -0.33 -0.03 -0.94 0.24 0.00 0.00 174.94 173.88 2kll s SER 7 N -2.29 0.26 0.05 4.36 1.04 -1.26 -5.00 113.70 110.86 2kll s SER 7 Ca 0.67 -0.31 -0.31 0.00 0.48 0.00 0.00 55.95 56.49 2kll s SER 7 Cb -0.18 0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.93 2kll s SER 7 CO 0.29 -0.16 1.31 -2.16 0.98 0.00 0.00 173.24 173.50 2kll s PRO 8 N -0.88 4.35 0.03 4.02 0.04 -1.26 -3.73 135.00 137.57 2kll s PRO 8 Ca -0.09 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 2kll s PRO 8 Cb -0.06 -3.40 -0.21 0.00 0.04 0.00 0.00 34.50 30.87 2kll s PRO 8 CO -0.00 -0.42 1.17 0.82 0.04 0.00 0.00 177.00 178.61 2kll h ILE 9 N 4.60 1.39 -1.67 0.56 2.04 -1.75 -3.48 117.51 119.19 2kll h ILE 9 Ca -0.40 -1.95 0.06 0.00 1.00 0.00 0.00 64.86 63.57 2kll h ILE 9 Cb 1.20 2.37 -0.22 0.00 -0.74 0.00 0.00 36.82 39.43 2kll h ILE 9 CO 0.86 0.58 0.49 0.28 0.00 0.00 0.00 178.15 180.35 2kll s THR 10 N -3.47 0.00 0.01 -0.27 -1.32 -1.26 -5.01 115.64 104.32 2kll s THR 10 Ca -0.13 0.00 0.01 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 0.83 0.00 -0.04 -0.70 -2.21 0.00 0.00 174.62 172.50 2kll s GLU 11 N -1.24 0.33 0.16 7.08 2.12 -1.26 -1.25 118.70 124.63 2kll s GLU 11 Ca -0.03 -0.29 -0.25 0.00 0.36 0.00 0.00 54.97 54.77 2kll s GLU 11 Cb -0.00 -0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.22 2kll s GLU 11 CO 0.02 0.06 0.97 1.52 -0.54 0.00 0.00 175.26 177.29 2kll s TYR 12 N -0.46 -0.11 -0.02 5.30 1.13 -0.57 -5.02 117.35 117.60 2kll s TYR 12 Ca -0.03 -0.21 -0.22 0.00 -1.41 0.00 0.00 57.07 55.21 2kll s TYR 12 Cb -0.04 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.42 2kll s TYR 12 CO -0.00 -0.84 0.63 -0.51 -2.51 0.00 0.00 175.55 172.33 2kll s LEU 13 N -2.98 4.39 -0.26 -3.49 1.43 -1.26 -0.68 118.68 115.82 2kll s LEU 13 Ca 0.13 1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 2kll s LEU 13 Cb -0.01 -2.99 0.07 0.00 0.03 0.00 0.00 46.19 43.30 2kll s LEU 13 CO 0.03 0.04 0.65 0.00 0.23 0.00 0.00 176.35 177.30 2kll s ALA 14 N 0.09 -1.74 -0.07 4.21 0.00 -0.02 -4.37 121.76 119.86 2kll s ALA 14 Ca 0.33 2.22 -0.15 0.00 0.00 0.00 0.00 51.96 54.36 2kll s ALA 14 Cb -0.18 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2kll s ALA 14 CO 0.18 -0.35 0.39 -1.54 0.00 0.00 0.00 175.76 174.43 2kll s SER 15 N 1.35 6.69 -0.05 0.00 1.04 -1.25 -0.67 113.70 120.81 2kll s SER 15 Ca -0.08 0.82 -0.30 0.00 0.48 0.00 0.00 55.95 56.87 2kll s SER 15 Cb -0.05 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 2kll s SER 15 CO -0.15 0.20 1.07 -0.76 0.98 0.00 0.00 173.24 174.59 2kll s LEU 16 N -0.35 4.30 -0.09 2.42 2.01 -1.26 -3.89 118.68 121.82 2kll s LEU 16 Ca 0.22 1.70 0.02 0.00 0.01 0.00 0.00 54.13 56.08 2kll s LEU 16 Cb -0.15 -3.56 0.01 0.00 0.01 0.00 0.00 46.19 42.50 2kll s LEU 16 CO 0.10 -0.44 -0.15 -0.55 1.01 0.00 0.00 176.35 176.32 2kll s SER 17 N 1.17 2.24 1.00 2.29 0.15 -0.12 -1.32 113.70 119.11 2kll s SER 17 Ca 0.52 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 2kll s SER 17 Cb -0.22 -1.02 0.19 0.00 -1.71 0.00 0.00 66.02 63.27 2kll s SER 17 CO 0.23 0.04 1.08 0.42 1.20 0.00 0.00 173.24 176.21 2kll s THR 18 N 0.75 2.27 -0.36 6.45 -4.23 0.16 0.70 115.64 121.38 2kll s THR 18 Ca -0.12 0.09 0.22 0.00 -1.18 0.00 0.00 61.69 60.70 2kll s THR 18 Cb -0.16 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 71.56 2kll s THR 18 CO 0.02 -0.11 1.68 0.00 -0.54 0.00 0.00 174.62 175.67 2kll n TYR 19 N -4.34 0.77 0.40 3.99 9.36 -1.22 -1.84 117.16 124.28 2kll n TYR 19 Ca 0.06 0.34 -0.00 0.00 3.32 0.00 0.00 57.90 61.62 2kll n TYR 19 Cb 0.55 -1.05 0.11 0.00 -0.63 0.00 0.00 39.34 38.31 2kll n TYR 19 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kll n ASN 20 N -2.24 2.64 -0.35 2.98 4.13 -1.26 -4.82 115.26 116.34 2kll n ASN 20 Ca 0.00 -2.33 -0.05 0.00 1.68 0.00 0.00 54.58 53.89 2kll n ASN 20 Cb 0.14 -0.57 -0.02 0.00 -1.54 0.00 0.00 39.78 37.79 2kll n ASN 20 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kll n ASP 21 N 0.14 -5.68 -4.93 6.41 9.92 -0.77 -4.96 116.55 116.69 2kll n ASP 21 Ca 0.11 0.11 -0.26 0.00 -0.53 0.00 0.00 54.79 54.22 2kll n ASP 21 Cb 0.62 -3.59 -0.02 0.00 -0.64 0.00 0.00 41.12 37.50 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 -2.28 3.53 0.19 -1.24 -0.21 -1.24 -4.56 119.66 113.86 2kll s GLN 22 Ca 0.00 -0.19 0.09 0.00 0.02 0.00 0.00 55.36 55.28 2kll s GLN 22 Cb 0.00 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 2kll s GLN 22 CO 0.00 0.15 -0.12 0.45 -2.12 0.00 0.00 175.29 173.65 2kll s SER 23 N -3.75 4.12 0.22 5.90 0.15 -1.01 0.39 113.70 119.71 2kll s SER 23 Ca 0.42 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 2kll s SER 23 Cb -0.10 -0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 63.50 2kll s SER 23 CO 0.35 0.10 0.58 -0.63 1.20 0.00 0.00 173.24 174.84 2kll s ILE 24 N -1.76 4.87 0.01 6.45 -1.09 -0.43 -1.80 121.20 127.44 2kll s ILE 24 Ca 0.25 0.66 0.07 0.00 -2.23 0.00 0.00 60.65 59.40 2kll s ILE 24 Cb -0.08 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2kll s ILE 24 CO 0.15 0.01 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.75 2kll s THR 25 N -1.73 1.81 -0.45 2.92 2.01 0.29 -4.42 115.64 116.07 2kll s THR 25 Ca 0.45 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2kll s THR 25 Cb -0.12 -1.53 0.13 0.00 0.01 0.00 0.00 72.50 70.99 2kll s THR 25 CO 0.20 0.41 0.21 -0.36 -0.69 0.00 0.00 174.62 174.40 2kll s PHE 26 N -0.63 2.58 -0.86 4.92 0.40 -1.26 -2.74 117.98 120.38 2kll s PHE 26 Ca 0.09 -2.70 -0.22 0.00 -0.60 0.00 0.00 56.93 53.49 2kll s PHE 26 Cb -0.09 -2.33 0.08 0.00 0.51 0.00 0.00 43.02 41.19 2kll s PHE 26 CO 0.00 -0.79 1.20 0.00 0.70 0.00 0.00 175.22 176.33 2kll s ALA 27 N 0.28 3.02 -0.80 5.36 0.00 -0.06 -4.97 121.76 124.60 2kll s ALA 27 Ca 0.16 -2.19 -0.22 0.00 0.00 0.00 0.00 51.96 49.71 2kll s ALA 27 Cb -0.24 -4.18 0.09 0.00 0.00 0.00 0.00 23.12 18.79 2kll s ALA 27 CO -0.03 -3.16 1.10 -0.51 0.00 0.00 0.00 175.76 173.16 2kll s LEU 28 N 4.13 4.42 0.00 0.00 2.01 -1.26 -2.53 118.68 125.45 2kll s LEU 28 Ca 0.34 -1.37 -0.02 0.00 0.01 0.00 0.00 54.13 53.09 2kll s LEU 28 Cb -0.07 -2.44 0.04 0.00 0.01 0.00 0.00 46.19 43.73 2kll s LEU 28 CO -0.01 -1.35 0.21 -0.62 1.01 0.00 0.00 176.35 175.59 2kll n GLU 29 N 7.57 -0.07 -0.24 1.70 -0.58 -0.75 -4.95 120.64 123.33 2kll n GLU 29 Ca 0.11 -0.38 0.05 0.00 -0.42 0.00 0.00 57.16 56.52 2kll n GLU 29 Cb 0.48 -0.21 0.17 0.00 -0.57 0.00 0.00 31.44 31.31 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 -0.26 0.10 0.00 1.62 5.19 -2.06 -3.36 116.42 117.65 2kll h ASP 30 Ca -0.07 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2kll h ASP 30 Cb 0.20 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2kll h ASP 30 CO 0.05 0.01 0.00 -1.84 -3.12 0.00 0.00 179.24 174.35 2kll n GLU 31 N -5.10 0.00 -4.01 3.56 0.28 -1.26 -5.10 120.64 109.00 2kll n GLU 31 Ca 0.13 -0.12 -0.35 0.00 -0.16 0.00 0.00 57.16 56.67 2kll n GLU 31 Cb 0.42 -0.19 -0.08 0.00 1.43 0.00 0.00 31.44 33.02 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 5.82 -0.49 -1.84 0.15 -1.26 -5.07 113.70 111.01 2kll s SER 32 Ca 0.00 0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.77 2kll s SER 32 Cb 0.00 -1.91 0.12 0.00 -1.71 0.00 0.00 66.02 62.52 2kll s SER 32 CO 0.00 0.28 0.36 -0.31 1.20 0.00 0.00 173.24 174.77 2kll s TYR 33 N -0.25 3.44 -0.17 3.44 2.02 -1.26 -1.81 117.35 122.77 2kll s TYR 33 Ca 0.09 -1.91 -0.05 0.00 -0.37 0.00 0.00 57.07 54.82 2kll s TYR 33 Cb -0.12 -3.50 -0.03 0.00 -0.40 0.00 0.00 41.96 37.91 2kll s TYR 33 CO 0.01 -0.99 0.00 -1.21 -1.57 0.00 0.00 175.55 171.80 2kll s GLU 34 N 1.27 3.80 -0.07 -0.62 2.02 -1.05 -5.03 118.70 119.02 2kll s GLU 34 Ca 0.07 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2kll s GLU 34 Cb -0.26 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 30.96 2kll s GLU 34 CO -0.01 0.26 -0.05 0.42 0.02 0.00 0.00 175.26 175.89 2kll s ILE 35 N 0.36 0.68 0.05 -1.63 1.01 -1.26 -0.88 121.20 119.54 2kll s ILE 35 Ca -0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 2kll s ILE 35 Cb -0.13 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.64 2kll s ILE 35 CO 0.02 0.28 0.30 -0.72 0.00 0.00 0.00 174.94 174.82 2kll s TYR 36 N 1.24 -0.09 -0.31 3.97 -0.85 -1.11 -4.54 117.35 115.66 2kll s TYR 36 Ca -0.05 -0.08 -0.11 0.00 -0.52 0.00 0.00 57.07 56.30 2kll s TYR 36 Cb -0.14 0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 2kll s TYR 36 CO -0.02 -0.53 0.19 0.08 -1.52 0.00 0.00 175.55 173.75 2kll s VAL 37 N -2.78 5.02 0.22 -3.49 1.01 -0.94 -0.55 120.40 118.89 2kll s VAL 37 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2kll s VAL 37 Cb -0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2kll s VAL 37 CO -0.05 0.11 0.38 -1.61 0.00 0.00 0.00 175.10 173.93 2kll s GLU 38 N 1.69 3.47 -0.17 2.72 2.02 -0.74 -4.97 118.70 122.73 2kll s GLU 38 Ca 0.06 -0.52 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 2kll s GLU 38 Cb -0.17 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 2kll s GLU 38 CO 0.09 0.40 0.01 0.16 0.02 0.00 0.00 175.26 175.94 2kll s ASP 39 N -3.52 5.18 0.51 -0.19 -4.77 -1.26 -2.41 116.67 110.20 2kll s ASP 39 Ca 0.36 -0.04 -0.13 0.00 -3.30 0.00 0.00 52.55 49.45 2kll s ASP 39 Cb -0.10 -1.87 -0.06 0.00 -1.09 0.00 0.00 42.92 39.80 2kll s ASP 39 CO 0.30 0.17 0.92 -0.76 0.70 0.00 0.00 175.17 176.50 2kll s LEU 40 N 0.39 3.59 0.16 2.11 1.43 -1.26 -5.00 118.68 120.09 2kll s LEU 40 Ca -0.01 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2kll s LEU 40 Cb -0.13 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.77 2kll s LEU 40 CO 0.02 -0.60 0.00 0.29 0.23 0.00 0.00 176.35 176.29 2kll n LYS 41 N -1.82 0.00 0.00 1.70 5.02 -1.26 -5.04 118.16 116.75 2kll n LYS 41 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2kll n LYS 41 Cb 0.54 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 2kll n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kll n LYS 42 N -3.07 0.00 -2.80 1.97 4.76 -1.26 -5.03 118.16 112.74 2kll n LYS 42 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 2kll n LYS 42 Cb 0.00 -0.08 0.01 0.00 -1.84 0.00 0.00 35.03 33.12 2kll n LYS 42 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kll n ASP 43 N -1.63 -3.16 -4.27 4.39 2.03 -1.26 -5.12 116.55 107.52 2kll n ASP 43 Ca 0.00 -2.96 -0.35 0.00 0.52 0.00 0.00 54.79 52.00 2kll n ASP 43 Cb 0.00 1.62 -0.14 0.00 -0.72 0.00 0.00 41.12 41.88 2kll n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kll s GLU 44 N 0.77 3.10 0.50 -0.67 0.41 -1.26 -5.10 118.70 116.46 2kll s GLU 44 Ca 0.31 -0.81 -0.23 0.00 -0.41 0.00 0.00 54.97 53.83 2kll s GLU 44 Cb 0.05 -3.08 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 2kll s GLU 44 CO -0.10 -0.33 1.29 0.15 -0.49 0.00 0.00 175.26 175.79 2kll s LYS 45 N 1.42 3.42 0.47 1.61 -0.14 -1.26 -5.02 119.74 120.25 2kll s LYS 45 Ca 0.03 2.08 0.02 0.00 -1.36 0.00 0.00 55.97 56.74 2kll s LYS 45 Cb -0.16 -2.36 -0.02 0.00 -1.68 0.00 0.00 37.83 33.62 2kll s LYS 45 CO -0.03 -0.91 0.07 0.15 -0.76 0.00 0.00 175.35 173.87 2kll s LYS 46 N -2.77 2.09 0.21 1.68 -0.14 -1.26 -5.13 119.74 114.42 2kll s LYS 46 Ca 0.67 -2.31 -0.30 0.00 -1.36 0.00 0.00 55.97 52.67 2kll s LYS 46 Cb -0.36 -1.07 -0.08 0.00 -1.68 0.00 0.00 37.83 34.63 2kll s LYS 46 CO 0.44 -0.44 0.96 -0.51 -0.76 0.00 0.00 175.35 175.03 2kll s ASP 47 N -3.76 7.59 0.03 2.83 1.11 -1.26 -5.06 116.67 118.16 2kll s ASP 47 Ca 0.13 1.94 -0.01 0.00 0.18 0.00 0.00 52.55 54.79 2kll s ASP 47 Cb 0.02 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2kll s ASP 47 CO 0.08 0.09 0.19 -0.54 1.18 0.00 0.00 175.17 176.17 2kll s LYS 48 N -0.94 3.41 -0.16 8.23 3.01 -1.26 -4.56 119.74 127.47 2kll s LYS 48 Ca 0.43 -0.41 0.01 0.00 -1.01 0.00 0.00 55.97 54.99 2kll s LYS 48 Cb -0.26 -3.04 0.01 0.00 -1.01 0.00 0.00 37.83 33.52 2kll s LYS 48 CO 0.32 0.63 -0.18 0.08 0.51 0.00 0.00 175.35 176.72 2kll s VAL 49 N -1.43 2.38 -0.55 3.17 1.01 0.16 -4.60 120.40 120.55 2kll s VAL 49 Ca 0.32 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 2kll s VAL 49 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2kll s VAL 49 CO 0.24 0.52 1.85 -0.22 0.00 0.00 0.00 175.10 177.50 2kll s LEU 50 N 1.00 3.35 -0.10 3.92 2.96 0.10 -0.84 118.68 129.07 2kll s LEU 50 Ca -0.02 0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 54.37 2kll s LEU 50 Cb -0.15 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 2kll s LEU 50 CO -0.04 -2.24 0.20 -0.76 -1.32 0.00 0.00 176.35 172.19 2kll s LEU 51 N 8.65 4.40 -0.00 -0.68 1.43 0.14 -0.94 118.68 131.68 2kll s LEU 51 Ca 0.71 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2kll s LEU 51 Cb -0.15 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 2kll s LEU 51 CO 0.24 0.38 -0.09 -0.55 0.23 0.00 0.00 176.35 176.55 2kll s SER 52 N -0.97 1.11 0.13 2.29 0.15 -0.44 -1.52 113.70 114.47 2kll s SER 52 Ca 0.17 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 2kll s SER 52 Cb -0.13 -0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.02 2kll s SER 52 CO 0.06 0.10 0.33 -0.31 1.20 0.00 0.00 173.24 174.62 2kll s TYR 53 N -0.29 3.49 -0.01 3.44 1.51 -0.38 -0.97 117.35 124.13 2kll s TYR 53 Ca 0.03 0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.48 2kll s TYR 53 Cb -0.04 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2kll s TYR 53 CO -0.00 0.47 0.06 0.71 -1.11 0.00 0.00 175.55 175.67 2kll s TYR 54 N -1.67 -0.01 -0.21 2.71 2.02 -0.19 -1.90 117.35 118.10 2kll s TYR 54 Ca 0.39 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 2kll s TYR 54 Cb -0.12 -0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.45 2kll s TYR 54 CO 0.27 -0.08 -0.14 -1.83 -1.57 0.00 0.00 175.55 172.19 2kll s GLU 55 N -0.34 2.83 0.81 -0.62 -1.05 -1.24 -0.82 118.70 118.27 2kll s GLU 55 Ca -0.04 -0.95 -0.12 0.00 -0.15 0.00 0.00 54.97 53.71 2kll s GLU 55 Cb -0.03 -2.76 0.08 0.00 -0.44 0.00 0.00 34.13 30.98 2kll s GLU 55 CO 0.00 -0.32 1.12 0.45 0.95 0.00 0.00 175.26 177.45 2kll s SER 56 N 1.27 4.39 -0.30 0.83 0.15 -1.26 -4.34 113.70 114.45 2kll s SER 56 Ca 0.01 1.14 -0.00 0.00 0.70 0.00 0.00 55.95 57.80 2kll s SER 56 Cb -0.15 -1.82 0.19 0.00 -1.71 0.00 0.00 66.02 62.52 2kll s SER 56 CO -0.09 -2.02 0.58 -1.58 1.20 0.00 0.00 173.24 171.34 2kll s GLN 57 N -5.26 0.55 0.03 5.44 0.74 -1.26 -4.98 119.66 114.92 2kll s GLN 57 Ca 0.61 0.93 -0.21 0.00 0.05 0.00 0.00 55.36 56.74 2kll s GLN 57 Cb -0.14 0.46 -0.06 0.00 1.10 0.00 0.00 33.01 34.37 2kll s GLN 57 CO 0.53 -0.67 0.60 -1.01 -0.55 0.00 0.00 175.29 174.19 2kll s HIS 58 N 2.84 3.73 -0.70 1.67 3.76 -1.26 -4.89 115.29 120.44 2kll s HIS 58 Ca 0.19 1.25 0.11 0.00 -0.15 0.00 0.00 55.06 56.46 2kll s HIS 58 Cb -0.14 -2.59 0.55 0.00 1.11 0.00 0.00 32.58 31.50 2kll s HIS 58 CO -0.21 0.42 1.34 -2.30 -0.85 0.00 0.00 174.74 173.14 2kll n PRO 59 N 2.40 0.06 -1.97 8.40 -0.02 -1.26 -4.73 135.00 137.88 2kll n PRO 59 Ca -0.08 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 2kll n PRO 59 Cb 0.51 -1.68 0.03 0.00 -0.02 0.00 0.00 33.50 32.34 2kll n PRO 59 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kll s SER 60 N -3.45 5.20 -0.42 2.55 1.04 -1.26 -5.01 113.70 112.36 2kll s SER 60 Ca 0.01 2.28 -0.03 0.00 0.48 0.00 0.00 55.95 58.68 2kll s SER 60 Cb 0.04 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2kll s SER 60 CO 0.14 -1.58 0.23 0.20 0.98 0.00 0.00 173.24 173.20 2kll s ASN 61 N -1.82 5.30 -0.03 7.02 0.01 -1.26 -5.08 114.94 119.07 2kll s ASN 61 Ca 0.74 -2.05 0.06 0.00 -0.71 0.00 0.00 52.86 50.91 2kll s ASN 61 Cb -0.27 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 2kll s ASN 61 CO 0.34 -0.55 -0.21 -0.70 -1.51 0.00 0.00 177.10 174.47 2kll s GLU 62 N 1.12 2.30 0.09 -0.60 2.56 -1.26 -5.13 118.70 117.78 2kll s GLU 62 Ca 0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 54.97 54.15 2kll s GLU 62 Cb -0.23 -2.19 -0.06 0.00 2.00 0.00 0.00 34.13 33.65 2kll s GLU 62 CO -0.04 0.58 0.37 -1.12 -0.56 0.00 0.00 175.26 174.49 2kll s SER 63 N -0.64 6.57 0.00 -1.70 0.01 -1.26 -4.93 113.70 111.74 2kll s SER 63 Ca 0.10 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2kll s SER 63 Cb -0.10 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2kll s SER 63 CO -0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2kll n GLY 64 N 0.70 0.00 2.74 3.44 0.00 -1.26 -5.11 105.19 105.70 2kll n GLY 64 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2kll n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kll n ASP 65 N -0.34 -6.99 0.00 1.61 2.03 -1.26 -5.05 116.55 106.55 2kll n ASP 65 Ca 0.00 1.36 0.00 0.00 0.52 0.00 0.00 54.79 56.67 2kll n ASP 65 Cb 0.00 -5.07 0.00 0.00 -0.72 0.00 0.00 41.12 35.33 2kll n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kll n GLY 66 N 0.89 2.03 2.28 0.27 0.00 -1.26 -5.03 105.19 104.37 2kll n GLY 66 Ca -0.05 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 3.35 -2.75 1.61 0.24 -1.26 -4.95 118.33 114.56 2kll n VAL 67 Ca 0.00 -3.33 -0.00 0.00 -2.04 0.00 0.00 64.34 58.97 2kll n VAL 67 Cb 0.00 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 2kll n VAL 67 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kll n ASP 68 N -0.85 -7.99 -2.21 -1.34 -0.08 -1.26 -4.89 116.55 97.93 2kll n ASP 68 Ca 0.58 1.35 -0.30 0.00 -1.51 0.00 0.00 54.79 54.91 2kll n ASP 68 Cb 0.72 -5.18 0.07 0.00 2.34 0.00 0.00 41.12 39.07 2kll n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kll n GLY 69 N 0.69 5.38 3.77 0.27 0.00 -1.26 -4.99 105.19 109.04 2kll n GLY 69 Ca 0.01 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.26 4.07 0.16 1.61 -0.14 -1.26 -4.97 119.74 115.95 2kll s LYS 70 Ca 0.55 1.99 -0.30 0.00 -1.36 0.00 0.00 55.97 56.85 2kll s LYS 70 Cb 0.43 -2.76 -0.08 0.00 -1.68 0.00 0.00 37.83 33.74 2kll s LYS 70 CO -0.01 -0.36 1.27 0.00 -0.76 0.00 0.00 175.35 175.49 2kll s MET 71 N -2.20 4.42 -0.34 1.68 0.23 -1.26 -5.00 119.30 116.83 2kll s MET 71 Ca 0.56 1.96 -0.14 0.00 -1.03 0.00 0.00 55.69 57.04 2kll s MET 71 Cb -0.34 -3.24 -0.02 0.00 -1.53 0.00 0.00 34.83 29.70 2kll s MET 71 CO 0.44 -0.22 0.28 -0.51 -2.03 0.00 0.00 175.02 172.98 2kll s LEU 72 N 0.16 4.48 0.66 0.18 1.43 -1.26 -4.26 118.68 120.06 2kll s LEU 72 Ca 0.57 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2kll s LEU 72 Cb -0.34 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2kll s LEU 72 CO 0.35 -0.27 0.96 -0.04 0.23 0.00 0.00 176.35 177.59 2kll s MET 73 N 1.83 2.45 -0.15 1.70 -1.94 0.00 -0.92 119.30 122.27 2kll s MET 73 Ca 0.08 -0.22 -0.16 0.00 -1.71 0.00 0.00 55.69 53.68 2kll s MET 73 Cb -0.17 -2.23 0.04 0.00 2.01 0.00 0.00 34.83 34.48 2kll s MET 73 CO 0.11 -1.03 0.44 0.54 -0.01 0.00 0.00 175.02 175.07 2kll s VAL 74 N -3.13 0.01 -0.09 -6.03 0.11 0.18 -1.03 120.40 110.42 2kll s VAL 74 Ca 0.58 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 2kll s VAL 74 Cb -0.11 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2kll s VAL 74 CO 0.44 -0.02 -0.19 0.42 -3.33 0.00 0.00 175.10 172.41 2kll s THR 75 N 0.04 2.52 -0.19 5.04 -4.23 -0.15 -1.24 115.64 117.43 2kll s THR 75 Ca -0.02 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2kll s THR 75 Cb -0.03 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2kll s THR 75 CO 0.01 0.56 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.85 2kll s LEU 76 N 0.01 3.06 -0.37 4.79 1.43 -1.26 -1.32 118.68 125.02 2kll s LEU 76 Ca -0.07 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2kll s LEU 76 Cb -0.15 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.43 2kll s LEU 76 CO 0.05 0.06 0.18 -0.55 0.23 0.00 0.00 176.35 176.33 2kll s SER 77 N 0.99 3.63 0.00 2.29 0.15 -0.11 -2.99 113.70 117.65 2kll s SER 77 Ca 0.01 -2.16 0.21 0.00 0.70 0.00 0.00 55.95 54.70 2kll s SER 77 Cb -0.15 -0.82 1.16 0.00 -1.71 0.00 0.00 66.02 64.50 2kll s SER 77 CO 0.01 -0.33 1.65 -0.81 1.20 0.00 0.00 173.24 174.95 2kll n PRO 78 N 4.14 0.49 0.00 5.44 -0.04 -1.26 -0.72 135.00 143.04 2kll n PRO 78 Ca 0.05 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kll n PRO 78 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.13 0.00 0.00 0.52 -2.24 -1.26 -4.83 114.28 105.34 2kll n THR 79 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2kll n THR 79 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.01 -0.78 4.76 -1.26 -4.80 118.16 116.07 2kll n LYS 80 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 2kll n LYS 80 Cb 0.00 -0.37 -0.14 0.00 -1.84 0.00 0.00 35.03 32.68 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 -0.73 1.48 -4.60 4.39 9.92 -1.26 -4.87 116.55 120.89 2kll n ASP 81 Ca 0.00 0.29 -0.45 0.00 -0.53 0.00 0.00 54.79 54.10 2kll n ASP 81 Cb 0.00 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.01 2kll n ASP 81 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2kll n PHE 82 N -3.25 2.06 -3.95 1.24 3.72 -1.26 -4.61 117.46 111.41 2kll n PHE 82 Ca -0.25 -0.10 -0.21 0.00 -0.05 0.00 0.00 57.45 56.83 2kll n PHE 82 Cb 1.05 -2.71 -0.04 0.00 -0.94 0.00 0.00 39.48 36.85 2kll n PHE 82 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2kll s TRP 83 N 6.91 3.04 -0.46 1.38 0.51 -0.44 -4.36 118.94 125.51 2kll s TRP 83 Ca 0.99 -0.19 -0.29 0.00 -2.12 0.00 0.00 56.10 54.49 2kll s TRP 83 Cb -0.48 -1.60 0.02 0.00 -0.81 0.00 0.00 33.47 30.60 2kll s TRP 83 CO 0.41 0.35 1.22 -0.51 -0.51 0.00 0.00 176.95 177.91 2kll s LEU 84 N -3.93 3.61 -0.14 2.99 1.02 -1.16 -1.38 118.68 119.69 2kll s LEU 84 Ca 0.37 0.56 -0.03 0.00 0.02 0.00 0.00 54.13 55.05 2kll s LEU 84 Cb -0.07 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.57 2kll s LEU 84 CO 0.26 -1.31 -0.05 -1.00 0.02 0.00 0.00 176.35 174.27 2kll s HIS 85 N 4.76 3.00 -0.57 0.29 3.76 -0.41 -4.58 115.29 121.53 2kll s HIS 85 Ca 0.52 -0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.86 2kll s HIS 85 Cb -0.09 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.72 2kll s HIS 85 CO 0.32 -0.00 1.15 0.00 -0.85 0.00 0.00 174.74 175.36 2kll s ALA 86 N 0.20 3.03 -0.72 -1.40 0.00 -1.23 -1.39 121.76 120.25 2kll s ALA 86 Ca -0.03 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 2kll s ALA 86 Cb -0.14 -3.98 0.14 0.00 0.00 0.00 0.00 23.12 19.15 2kll s ALA 86 CO 0.03 -2.59 0.80 1.21 0.00 0.00 0.00 175.76 175.21 2kll s ASN 87 N 2.90 6.43 0.53 0.00 3.84 -0.00 -4.88 114.94 123.76 2kll s ASN 87 Ca 0.41 -1.93 0.36 0.00 0.21 0.00 0.00 52.86 51.91 2kll s ASN 87 Cb -0.08 -2.29 1.79 0.00 -0.55 0.00 0.00 41.25 40.12 2kll s ASN 87 CO 0.25 -0.94 2.08 -0.55 -2.79 0.00 0.00 177.10 175.14 2kll h ASN 88 N 8.72 0.00 0.31 -4.21 7.08 -1.94 -0.32 115.58 125.22 2kll h ASN 88 Ca -0.09 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.08 2kll h ASN 88 Cb 1.06 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.30 2kll h ASN 88 CO 1.01 0.00 -0.21 0.50 -2.08 0.00 0.00 177.43 176.65 2kll h LYS 89 N 0.00 0.00 0.00 4.14 3.64 -1.92 -2.96 116.57 119.47 2kll h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kll h LYS 89 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kll h LYS 89 CO 0.00 0.21 0.00 0.39 -2.27 0.00 0.00 179.45 177.78 2kll n GLU 90 N -4.00 0.67 -3.14 1.90 -0.58 -0.69 -5.00 120.64 109.81 2kll n GLU 90 Ca -0.02 -0.87 -0.23 0.00 -0.42 0.00 0.00 57.16 55.63 2kll n GLU 90 Cb 0.28 -0.95 0.02 0.00 -0.57 0.00 0.00 31.44 30.22 2kll n GLU 90 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kll n HIS 91 N -0.20 -1.91 -3.93 -0.32 8.25 -0.22 -4.94 115.22 111.95 2kll n HIS 91 Ca 0.00 0.50 -0.09 0.00 -0.26 0.00 0.00 57.72 57.87 2kll n HIS 91 Cb 0.13 -3.94 -0.07 0.00 1.12 0.00 0.00 29.99 27.23 2kll n HIS 91 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kll s SER 92 N -2.70 0.03 -0.16 0.41 1.04 -1.01 -0.70 113.70 110.61 2kll s SER 92 Ca 0.34 -0.81 -0.07 0.00 0.48 0.00 0.00 55.95 55.88 2kll s SER 92 Cb -0.16 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2kll s SER 92 CO 0.41 -0.88 0.08 0.54 0.98 0.00 0.00 173.24 174.37 2kll s VAL 93 N -3.95 4.93 0.12 5.02 0.11 -1.25 -0.82 120.40 124.55 2kll s VAL 93 Ca 0.15 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.26 2kll s VAL 93 Cb 0.03 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2kll s VAL 93 CO -0.02 0.50 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.51 2kll s GLU 94 N -0.02 1.01 -0.32 1.54 0.41 -0.49 -4.89 118.70 115.94 2kll s GLU 94 Ca 0.07 -1.23 -0.28 0.00 -0.41 0.00 0.00 54.97 53.11 2kll s GLU 94 Cb -0.12 -0.87 0.02 0.00 -1.78 0.00 0.00 34.13 31.37 2kll s GLU 94 CO 0.01 0.17 1.05 -0.51 -0.49 0.00 0.00 175.26 175.48 2kll s LEU 95 N -2.45 3.95 -0.03 1.80 1.02 -1.26 -1.29 118.68 120.43 2kll s LEU 95 Ca 0.09 1.01 0.04 0.00 0.02 0.00 0.00 54.13 55.28 2kll s LEU 95 Cb -0.05 -3.50 -0.01 0.00 0.02 0.00 0.00 46.19 42.66 2kll s LEU 95 CO 0.03 -0.86 -0.14 -1.00 0.02 0.00 0.00 176.35 174.40 2kll s HIS 96 N 3.59 1.36 -0.82 0.29 3.76 -0.48 -4.86 115.29 118.13 2kll s HIS 96 Ca 0.44 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.87 2kll s HIS 96 Cb -0.12 -0.91 0.17 0.00 1.11 0.00 0.00 32.58 32.83 2kll s HIS 96 CO 0.15 -0.09 0.86 0.21 -0.85 0.00 0.00 174.74 175.02 2kll s LYS 97 N -0.09 3.51 0.46 1.40 2.20 -1.26 -1.33 119.74 124.63 2kll s LYS 97 Ca 0.00 -2.08 0.08 0.00 -0.36 0.00 0.00 55.97 53.61 2kll s LYS 97 Cb -0.08 -4.56 0.02 0.00 -1.51 0.00 0.00 37.83 31.70 2kll s LYS 97 CO 0.01 -1.47 0.59 0.00 -0.36 0.00 0.00 175.35 174.11 2kll s GLU 99 N -4.39 -1.97 0.16 0.00 2.02 -1.26 -4.92 118.70 108.34 2kll s GLU 99 Ca 0.55 0.32 -0.18 0.00 0.02 0.00 0.00 54.97 55.69 2kll s GLU 99 Cb -0.08 -1.47 0.07 0.00 0.10 0.00 0.00 34.13 32.74 2kll s GLU 99 CO 0.33 -4.29 1.68 -0.22 0.02 0.00 0.00 175.26 172.78 2kll h LYS 100 N -3.01 0.01 -5.21 1.61 1.63 -2.01 -3.37 116.57 106.22 2kll h LYS 100 Ca -0.50 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.24 2kll h LYS 100 Cb 1.33 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 2kll h LYS 100 CO 0.38 0.01 0.39 -2.30 -3.45 0.00 0.00 179.45 174.47 2kll n PRO 101 N -5.27 0.34 -1.92 1.90 -0.02 -1.26 -4.89 135.00 123.88 2kll n PRO 101 Ca 0.01 -0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 60.23 2kll n PRO 101 Cb 0.19 -3.17 -0.02 0.00 -0.02 0.00 0.00 33.50 30.49 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 12.22 4.37 0.86 2.45 1.43 -1.26 -5.00 118.68 133.75 2kll s LEU 102 Ca 0.92 2.82 -0.12 0.00 -1.03 0.00 0.00 54.13 56.71 2kll s LEU 102 Cb -0.22 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.47 2kll s LEU 102 CO 0.18 -0.77 1.11 -2.16 0.23 0.00 0.00 176.35 174.94 2kll s PRO 103 N -0.87 1.56 0.07 1.29 0.04 -1.26 -4.91 135.00 130.92 2kll s PRO 103 Ca 0.58 0.49 0.14 0.00 0.04 0.00 0.00 61.00 62.25 2kll s PRO 103 Cb -0.44 -1.87 0.60 0.00 0.04 0.00 0.00 34.50 32.82 2kll s PRO 103 CO 0.49 -1.95 1.43 -0.25 0.04 0.00 0.00 177.00 176.76 2kll n ASP 104 N -3.63 0.17 -0.94 6.66 8.00 -1.26 -1.28 116.55 124.26 2kll n ASP 104 Ca 0.07 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.23 2kll n ASP 104 Cb 0.58 -0.58 0.25 0.00 -0.02 0.00 0.00 41.12 41.35 2kll n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kll n GLN 105 N -1.69 2.25 -0.03 -1.24 10.64 -1.26 -4.11 117.38 121.92 2kll n GLN 105 Ca 0.02 -1.87 -0.22 0.00 -1.83 0.00 0.00 57.00 53.11 2kll n GLN 105 Cb 0.14 -1.47 -0.13 0.00 -0.86 0.00 0.00 30.24 27.91 2kll n GLN 105 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kll h ALA 106 N 4.42 0.33 -2.29 2.61 0.00 -1.44 -3.26 119.26 119.64 2kll h ALA 106 Ca 0.00 -1.28 -0.55 0.00 0.00 0.00 0.00 54.91 53.08 2kll h ALA 106 Cb 0.84 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2kll h ALA 106 CO 0.00 1.01 0.54 -0.06 0.00 0.00 0.00 179.25 180.73 2kll s PHE 107 N -2.47 3.53 -0.20 0.00 0.40 -1.25 -4.70 117.98 113.28 2kll s PHE 107 Ca -0.24 1.60 -0.03 0.00 -0.60 0.00 0.00 56.93 57.66 2kll s PHE 107 Cb 0.06 -3.18 -0.01 0.00 0.51 0.00 0.00 43.02 40.40 2kll s PHE 107 CO 0.70 -0.21 -0.05 -0.06 0.70 0.00 0.00 175.22 176.30 2kll s PHE 108 N 1.84 2.95 -0.46 0.36 0.08 -0.37 -4.08 117.98 118.30 2kll s PHE 108 Ca 0.49 -0.81 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 2kll s PHE 108 Cb -0.19 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2kll s PHE 108 CO 0.20 -0.44 1.96 0.08 -0.10 0.00 0.00 175.22 176.92 2kll s VAL 109 N 1.20 3.31 0.21 -0.44 1.01 0.11 0.48 120.40 126.29 2kll s VAL 109 Ca 0.02 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2kll s VAL 109 Cb -0.14 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 2kll s VAL 109 CO -0.01 -0.50 1.27 -0.22 0.00 0.00 0.00 175.10 175.64 2kll s LEU 110 N 8.77 4.43 0.00 3.92 2.96 -0.10 -1.20 118.68 137.46 2kll s LEU 110 Ca 0.80 2.38 0.01 0.00 -0.22 0.00 0.00 54.13 57.10 2kll s LEU 110 Cb -0.19 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 2kll s LEU 110 CO 0.27 -0.46 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.79 2kll s HIS 111 N -0.12 0.42 -0.32 5.38 3.76 -0.30 -4.53 115.29 119.57 2kll s HIS 111 Ca 0.54 -0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 2kll s HIS 111 Cb -0.35 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.05 2kll s HIS 111 CO 0.39 -0.02 0.44 -0.80 -0.85 0.00 0.00 174.74 173.91 2kll s ASN 112 N -0.25 6.28 -0.17 1.40 -0.87 -1.26 -0.38 114.94 119.69 2kll s ASN 112 Ca 0.00 0.05 -0.14 0.00 -1.57 0.00 0.00 52.86 51.20 2kll s ASN 112 Cb -0.03 -2.24 -0.05 0.00 -0.02 0.00 0.00 41.25 38.92 2kll s ASN 112 CO -0.00 -0.35 -0.26 0.23 -2.57 0.00 0.00 177.10 174.14 2kll n MET 113 N 5.53 0.50 -0.32 -0.60 2.81 -1.15 -5.01 117.12 118.87 2kll n MET 113 Ca -0.07 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2kll n MET 113 Cb 0.50 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -4.52 -0.66 0.17 2.03 8.25 -1.23 -5.01 115.22 114.25 2kll n HIS 114 Ca -0.13 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.18 2kll n HIS 114 Cb 0.42 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 2kll n HIS 114 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2kll h SER 115 N 0.00 -1.17 0.00 0.41 0.02 -2.02 -3.36 113.55 107.44 2kll h SER 115 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2kll h SER 115 Cb 0.00 0.42 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2kll h SER 115 CO 0.00 -0.52 -0.60 0.59 -1.14 0.00 0.00 176.83 175.17 2kll n ASN 116 N -5.48 2.87 -4.78 3.07 4.13 -1.26 -5.04 115.26 108.78 2kll n ASN 116 Ca -0.09 -0.21 -0.41 0.00 1.68 0.00 0.00 54.58 55.55 2kll n ASN 116 Cb 0.39 1.01 -0.00 0.00 -1.54 0.00 0.00 39.78 39.63 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 -1.14 1.59 0.02 0.00 -7.23 -0.32 -2.93 120.40 110.38 2kll s VAL 118 Ca 0.53 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2kll s VAL 118 Cb -0.44 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 2kll s VAL 118 CO 0.60 -0.21 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.59 2kll s SER 119 N -3.48 0.36 -0.44 4.85 0.15 0.49 -1.09 113.70 114.55 2kll s SER 119 Ca 0.32 -0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.58 2kll s SER 119 Cb 0.05 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 64.51 2kll s SER 119 CO 0.13 -0.15 0.27 -0.36 1.20 0.00 0.00 173.24 174.34 2kll s PHE 120 N -0.86 3.47 0.18 3.44 0.08 -1.26 -1.15 117.98 121.88 2kll s PHE 120 Ca -0.08 -2.04 -0.20 0.00 0.12 0.00 0.00 56.93 54.73 2kll s PHE 120 Cb -0.06 -3.29 -0.08 0.00 -0.57 0.00 0.00 43.02 39.02 2kll s PHE 120 CO -0.00 -0.96 0.70 -2.00 -0.10 0.00 0.00 175.22 172.85 2kll s GLU 121 N 1.28 4.28 -0.08 0.44 2.12 -0.35 -1.26 118.70 125.14 2kll s GLU 121 Ca 0.06 0.87 -0.22 0.00 0.36 0.00 0.00 54.97 56.04 2kll s GLU 121 Cb -0.24 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2kll s GLU 121 CO -0.02 0.47 0.65 0.00 -0.54 0.00 0.00 175.26 175.82 2kll h LYS 123 N 6.77 0.00 0.00 0.00 3.64 -1.77 -3.10 116.57 122.11 2kll h LYS 123 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2kll h LYS 123 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2kll h LYS 123 CO 0.75 0.33 -0.88 0.25 -2.27 0.00 0.00 179.45 177.64 2kll n THR 124 N -3.30 0.22 -3.68 1.00 -2.24 -1.26 -4.71 114.28 100.31 2kll n THR 124 Ca 0.01 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 2kll n THR 124 Cb 0.57 0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.76 2kll n THR 124 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kll s ASP 125 N -3.98 3.87 -0.04 3.42 1.11 -1.17 -5.11 116.67 114.77 2kll s ASP 125 Ca 0.05 -1.66 -0.30 0.00 0.18 0.00 0.00 52.55 50.82 2kll s ASP 125 Cb 0.14 -0.76 -0.05 0.00 1.07 0.00 0.00 42.92 43.32 2kll s ASP 125 CO 0.77 -0.41 1.53 -2.16 1.18 0.00 0.00 175.17 176.08 2kll s PRO 126 N 1.61 4.22 0.00 8.23 0.04 -1.26 -2.49 135.00 145.35 2kll s PRO 126 Ca 0.10 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2kll s PRO 126 Cb -0.18 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2kll s PRO 126 CO -0.25 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2kll n GLY 127 N 3.91 0.72 3.50 0.56 0.00 -1.26 -5.07 105.19 107.55 2kll n GLY 127 Ca 0.15 0.00 -0.34 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 -2.05 3.64 0.03 1.61 1.01 -1.04 -1.65 120.40 121.95 2kll s VAL 128 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2kll s VAL 128 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2kll s VAL 128 CO 0.00 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.19 2kll s PHE 129 N -0.06 0.75 0.39 5.22 0.40 -0.46 -1.24 117.98 122.99 2kll s PHE 129 Ca 0.00 -0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 2kll s PHE 129 Cb -0.13 -0.45 -0.09 0.00 0.51 0.00 0.00 43.02 42.86 2kll s PHE 129 CO 0.03 -0.04 1.19 0.42 0.70 0.00 0.00 175.22 177.53 2kll s ILE 130 N -0.97 3.06 0.00 0.64 1.01 -0.39 -0.35 121.20 124.20 2kll s ILE 130 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2kll s ILE 130 Cb -0.08 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2kll s ILE 130 CO 0.01 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2kll n GLY 131 N 0.67 0.84 3.59 6.18 0.00 -0.05 -4.56 105.19 111.85 2kll n GLY 131 Ca 0.04 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2kll n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kll s VAL 132 N -2.00 3.11 0.00 1.61 1.01 -1.22 -0.92 120.40 121.99 2kll s VAL 132 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2kll s VAL 132 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2kll s VAL 132 CO 0.00 -0.11 0.00 1.17 0.00 0.00 0.00 175.10 176.16 2kll n LYS 133 N 8.73 0.00 -0.04 2.72 4.81 -0.36 -4.84 118.16 129.19 2kll n LYS 133 Ca 0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.71 2kll n LYS 133 Cb 0.46 -0.24 -0.01 0.00 0.02 0.00 0.00 35.03 35.27 2kll n LYS 133 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kll h ASP 134 N 0.00 0.00 0.00 3.14 3.32 -1.97 -3.46 116.42 117.46 2kll h ASP 134 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kll h ASP 134 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kll h ASP 134 CO 0.00 0.44 -0.03 0.59 -1.72 0.00 0.00 179.24 178.53 2kll n ASN 135 N -3.74 0.00 -2.18 6.45 3.02 -1.26 -5.10 115.26 112.45 2kll n ASN 135 Ca -0.04 -1.05 -0.08 0.00 -0.03 0.00 0.00 54.58 53.38 2kll n ASN 135 Cb 0.13 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 2kll n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kll n HIS 136 N 0.00 -1.12 -2.52 3.10 1.44 -1.26 -2.20 115.22 112.65 2kll n HIS 136 Ca 0.00 -1.38 -0.42 0.00 -2.01 0.00 0.00 57.72 53.91 2kll n HIS 136 Cb 0.51 0.35 -0.03 0.00 0.12 0.00 0.00 29.99 30.94 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 4.38 0.06 2.39 1.43 -1.26 -1.22 118.68 124.45 2kll s LEU 137 Ca 0.17 1.90 -0.09 0.00 -1.03 0.00 0.00 54.13 55.07 2kll s LEU 137 Cb -0.01 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2kll s LEU 137 CO 0.12 -0.39 0.20 0.00 0.23 0.00 0.00 176.35 176.51 2kll s ALA 138 N 0.97 -0.33 -0.90 4.21 0.00 -0.09 -3.84 121.76 121.78 2kll s ALA 138 Ca 0.56 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 2kll s ALA 138 Cb -0.27 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2kll s ALA 138 CO 0.29 -0.41 1.49 -0.51 0.00 0.00 0.00 175.76 176.62 2kll s LEU 139 N -2.34 3.35 -0.35 0.00 1.43 0.13 -0.87 118.68 120.01 2kll s LEU 139 Ca -0.02 -0.95 -0.22 0.00 -1.03 0.00 0.00 54.13 51.91 2kll s LEU 139 Cb 0.01 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.67 2kll s LEU 139 CO -0.06 -1.82 0.71 -0.63 0.23 0.00 0.00 176.35 174.78 2kll s ILE 140 N 6.12 4.82 -0.76 -0.59 1.01 0.53 -4.80 121.20 127.52 2kll s ILE 140 Ca 0.47 0.75 -0.26 0.00 0.00 0.00 0.00 60.65 61.61 2kll s ILE 140 Cb -0.04 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.32 2kll s ILE 140 CO 0.00 -0.36 1.37 -0.75 0.00 0.00 0.00 174.94 175.20 2kll s LYS 141 N 2.89 3.17 -0.00 2.79 2.20 -1.26 -1.35 119.74 128.17 2kll s LYS 141 Ca 0.28 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.66 2kll s LYS 141 Cb -0.14 -4.36 -0.03 0.00 -1.51 0.00 0.00 37.83 31.79 2kll s LYS 141 CO 0.15 -2.23 -0.10 0.08 -0.36 0.00 0.00 175.35 172.89 2kll s VAL 142 N 6.05 3.39 0.29 4.02 1.01 -0.66 -4.97 120.40 129.53 2kll s VAL 142 Ca 0.40 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2kll s VAL 142 Cb -0.07 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2kll s VAL 142 CO 0.12 0.42 0.14 1.51 0.00 0.00 0.00 175.10 177.29 2kll s ASP 143 N -1.29 4.97 0.64 3.32 1.47 -1.26 -4.53 116.67 119.98 2kll s ASP 143 Ca 0.15 -0.55 -0.03 0.00 1.18 0.00 0.00 52.55 53.31 2kll s ASP 143 Cb -0.11 -0.99 0.05 0.00 -0.34 0.00 0.00 42.92 41.53 2kll s ASP 143 CO 0.06 -0.15 0.91 -0.44 0.68 0.00 0.00 175.17 176.23 2kll s SER 144 N -3.82 5.02 0.00 2.11 0.01 -1.26 -2.25 113.70 113.51 2kll s SER 144 Ca 0.35 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2kll s SER 144 Cb -0.06 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2kll s SER 144 CO 0.23 -1.40 0.00 -0.24 0.41 0.00 0.00 173.24 172.24 2kll n SER 145 N -2.66 0.00 -0.04 2.44 2.88 -1.26 -4.10 113.62 110.88 2kll n SER 145 Ca 0.08 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 2kll n SER 145 Cb 0.60 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 2kll n SER 145 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kll h GLU 146 N 0.00 0.00 -0.68 -1.46 4.57 -2.03 -3.37 114.58 111.61 2kll h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kll h GLU 146 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2kll h GLU 146 CO 0.00 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.92 2kll n ASN 147 N -3.56 1.37 0.12 1.04 4.13 -1.16 -4.07 115.26 113.12 2kll n ASN 147 Ca -0.03 -2.10 0.09 0.00 1.68 0.00 0.00 54.58 54.22 2kll n ASN 147 Cb 0.10 -0.39 0.44 0.00 -1.54 0.00 0.00 39.78 38.40 2kll n ASN 147 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2kll n LEU 148 N 0.01 0.43 -4.19 3.41 7.94 -0.95 -3.88 117.00 119.77 2kll n LEU 148 Ca 0.04 0.69 -0.41 0.00 -1.11 0.00 0.00 56.01 55.22 2kll n LEU 148 Cb 0.30 -0.73 -0.06 0.00 0.53 0.00 0.00 43.42 43.46 2kll n LEU 148 CO 0.04 -0.80 0.21 0.00 -1.11 0.00 0.00 177.39 175.73 2kll s THR 150 N -0.06 -0.16 0.19 0.00 2.01 -1.25 -5.00 115.64 111.37 2kll s THR 150 Ca 0.18 -0.28 0.35 0.00 0.31 0.00 0.00 61.69 62.25 2kll s THR 150 Cb -0.16 -0.70 0.38 0.00 0.01 0.00 0.00 72.50 72.03 2kll s THR 150 CO -0.06 -0.36 2.05 -0.33 -0.69 0.00 0.00 174.62 175.23 2kll h GLU 151 N 8.38 0.00 -0.41 4.92 5.08 -1.95 -2.91 114.58 127.69 2kll h GLU 151 Ca -0.16 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2kll h GLU 151 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2kll h GLU 151 CO 0.32 0.00 0.07 -0.91 -1.00 0.00 0.00 179.01 177.49 2kll h ASN 152 N 0.00 0.65 -0.09 1.42 4.21 -1.94 -2.50 115.58 117.33 2kll h ASN 152 Ca 0.00 -0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.25 2kll h ASN 152 Cb 0.31 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2kll h ASN 152 CO 0.00 0.74 0.00 2.30 -1.29 0.00 0.00 177.43 179.18 2kll n ILE 153 N -4.51 0.19 -3.67 2.81 -5.35 -1.10 -3.45 119.36 104.27 2kll n ILE 153 Ca -0.00 -0.14 -0.37 0.00 -0.27 0.00 0.00 62.75 61.96 2kll n ILE 153 Cb 0.23 -0.08 -0.12 0.00 -1.74 0.00 0.00 39.64 37.94 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 -0.83 3.76 0.27 7.28 1.43 -0.94 -4.28 118.68 125.37 2kll s LEU 154 Ca 0.07 -0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2kll s LEU 154 Cb 0.04 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2kll s LEU 154 CO 0.04 -0.06 -0.09 -0.36 0.23 0.00 0.00 176.35 176.11 2kll s PHE 155 N 1.67 2.52 -0.04 0.29 0.40 -0.25 -3.40 117.98 119.18 2kll s PHE 155 Ca 0.06 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 2kll s PHE 155 Cb -0.16 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.26 2kll s PHE 155 CO 0.07 0.66 -0.14 0.15 0.70 0.00 0.00 175.22 176.65 2kll s LYS 156 N -3.57 1.59 0.02 0.44 1.02 0.22 -1.17 119.74 118.28 2kll s LYS 156 Ca 0.31 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.81 2kll s LYS 156 Cb -0.06 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 2kll s LYS 156 CO 0.18 0.18 0.02 -0.51 -0.92 0.00 0.00 175.35 174.29 2kll s LEU 157 N 0.18 3.58 -0.11 3.17 1.43 -1.26 -0.95 118.68 124.72 2kll s LEU 157 Ca -0.06 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2kll s LEU 157 Cb -0.12 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.04 2kll s LEU 157 CO 0.02 0.25 0.13 -0.55 0.23 0.00 0.00 176.35 176.43 2kll s SER 158 N -1.77 1.29 -1.07 2.29 0.15 -1.25 -5.01 113.70 108.32 2kll s SER 158 Ca 0.22 -0.02 -0.20 0.00 0.70 0.00 0.00 55.95 56.65 2kll s SER 158 Cb -0.12 0.07 0.08 0.00 -1.71 0.00 0.00 66.02 64.35 2kll s SER 158 CO 0.13 -0.28 1.44 -0.70 1.20 0.00 0.00 173.24 175.03 2kll s GLU 159 N 2.23 3.72 0.00 5.44 2.12 -1.26 -3.83 118.70 127.12 2kll s GLU 159 Ca 0.04 -1.56 0.00 0.00 0.36 0.00 0.00 54.97 53.81 2kll s GLU 159 Cb -0.13 -5.28 0.00 0.00 0.26 0.00 0.00 34.13 28.98 2kll s GLU 159 CO -0.07 -2.09 0.16 0.25 -0.54 0.00 0.00 175.26 172.98