#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 6.18 -0.35 1.61 0.01 -1.26 -4.93 113.70 114.97 2kll s SER 1 Ca 0.00 0.38 -0.11 0.00 1.31 0.00 0.00 55.95 57.53 2kll s SER 1 Cb 0.00 -1.99 0.01 0.00 0.21 0.00 0.00 66.02 64.25 2kll s SER 1 CO 0.00 0.37 0.19 -0.55 0.41 0.00 0.00 173.24 173.66 2kll s SER 2 N -0.79 5.72 0.00 2.44 0.15 -1.26 -4.85 113.70 115.11 2kll s SER 2 Ca 0.13 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2kll s SER 2 Cb -0.12 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2kll s SER 2 CO 0.03 -0.30 0.00 0.00 1.20 0.00 0.00 173.24 174.17 2kll n ILE 3 N 5.01 0.00 -1.83 6.45 3.06 -1.26 -4.76 119.36 126.04 2kll n ILE 3 Ca -0.13 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.81 2kll n ILE 3 Cb 0.48 -0.38 0.02 0.00 0.54 0.00 0.00 39.64 40.30 2kll n ILE 3 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2kll s THR 4 N -1.39 4.53 0.00 9.51 -4.23 -1.26 -4.40 115.64 118.40 2kll s THR 4 Ca 0.00 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 2kll s THR 4 Cb 0.00 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2kll s THR 4 CO 0.00 -1.07 0.00 0.61 -0.54 0.00 0.00 174.62 173.62 2kll n GLY 5 N -2.66 0.95 3.92 3.99 0.00 -1.26 -5.08 105.19 105.05 2kll n GLY 5 Ca 0.06 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.42 5.12 0.06 -0.61 -4.36 -1.26 -5.12 121.20 112.62 2kll s ILE 6 Ca 0.00 -0.18 0.04 0.00 -0.26 0.00 0.00 60.65 60.25 2kll s ILE 6 Cb 0.00 -3.74 -0.03 0.00 1.25 0.00 0.00 42.46 39.95 2kll s ILE 6 CO 0.00 -0.25 -0.12 -0.94 0.24 0.00 0.00 174.94 173.87 2kll s SER 7 N -3.18 1.42 0.13 4.36 1.04 -1.26 -5.12 113.70 111.09 2kll s SER 7 Ca 0.41 -0.61 -0.31 0.00 0.48 0.00 0.00 55.95 55.92 2kll s SER 7 Cb -0.11 -0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.89 2kll s SER 7 CO 0.29 -0.13 1.70 -2.16 0.98 0.00 0.00 173.24 173.93 2kll s PRO 8 N -1.77 4.17 -0.09 4.02 0.04 -1.26 -4.58 135.00 135.53 2kll s PRO 8 Ca -0.04 2.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.28 2kll s PRO 8 Cb -0.10 -3.42 -0.15 0.00 0.04 0.00 0.00 34.50 30.87 2kll s PRO 8 CO 0.02 -0.74 0.64 0.82 0.04 0.00 0.00 177.00 177.77 2kll h ILE 9 N 4.45 0.96 -2.81 0.56 1.08 -1.51 -3.48 117.51 116.76 2kll h ILE 9 Ca -0.44 -1.49 -0.12 0.00 -0.39 0.00 0.00 64.86 62.42 2kll h ILE 9 Cb 1.21 1.72 -0.23 0.00 -3.07 0.00 0.00 36.82 36.45 2kll h ILE 9 CO 0.94 0.29 -0.25 0.28 -0.69 0.00 0.00 178.15 178.72 2kll s THR 10 N -2.60 0.01 -0.03 -0.27 -1.32 -1.25 -4.98 115.64 105.19 2kll s THR 10 Ca -0.12 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 2kll s THR 10 Cb -0.01 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2kll s THR 10 CO 0.43 -0.05 -0.05 -0.70 -2.21 0.00 0.00 174.62 172.04 2kll s GLU 11 N -0.11 0.74 0.15 7.08 2.12 -1.26 -1.04 118.70 126.38 2kll s GLU 11 Ca -0.03 -0.16 -0.24 0.00 0.36 0.00 0.00 54.97 54.90 2kll s GLU 11 Cb -0.03 -0.73 0.06 0.00 0.26 0.00 0.00 34.13 33.69 2kll s GLU 11 CO 0.01 0.01 0.75 1.52 -0.54 0.00 0.00 175.26 177.01 2kll s TYR 12 N 0.50 -0.35 0.22 5.30 1.13 -0.56 -5.01 117.35 118.59 2kll s TYR 12 Ca -0.07 0.08 -0.25 0.00 -1.41 0.00 0.00 57.07 55.42 2kll s TYR 12 Cb -0.10 0.61 -0.09 0.00 -1.10 0.00 0.00 41.96 41.28 2kll s TYR 12 CO 0.00 -0.88 0.82 -0.51 -2.51 0.00 0.00 175.55 172.48 2kll s LEU 13 N -2.77 4.49 -0.28 -3.49 1.43 -1.26 -1.08 118.68 115.73 2kll s LEU 13 Ca 0.06 1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.67 2kll s LEU 13 Cb -0.02 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.72 2kll s LEU 13 CO -0.05 0.10 0.75 0.00 0.23 0.00 0.00 176.35 177.38 2kll s ALA 14 N -1.34 -1.93 -0.16 4.21 0.00 0.05 -4.44 121.76 118.15 2kll s ALA 14 Ca 0.41 2.33 -0.17 0.00 0.00 0.00 0.00 51.96 54.53 2kll s ALA 14 Cb -0.21 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2kll s ALA 14 CO 0.25 -0.37 0.43 -1.54 0.00 0.00 0.00 175.76 174.53 2kll s SER 15 N 1.40 6.56 0.18 0.00 1.04 -0.87 -0.57 113.70 121.44 2kll s SER 15 Ca -0.08 0.67 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 2kll s SER 15 Cb -0.05 -2.25 -0.07 0.00 0.10 0.00 0.00 66.02 63.74 2kll s SER 15 CO -0.16 -0.02 1.03 -0.76 0.98 0.00 0.00 173.24 174.31 2kll s LEU 16 N 0.88 4.52 -0.05 2.42 1.43 -1.26 -2.10 118.68 124.52 2kll s LEU 16 Ca 0.22 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.29 2kll s LEU 16 Cb -0.15 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.51 2kll s LEU 16 CO 0.08 -0.10 0.11 -0.44 0.23 0.00 0.00 176.35 176.23 2kll s SER 17 N -0.32 0.13 0.84 2.29 0.01 0.53 -1.27 113.70 115.92 2kll s SER 17 Ca 0.47 0.22 -0.11 0.00 1.31 0.00 0.00 55.95 57.84 2kll s SER 17 Cb -0.27 0.11 0.10 0.00 0.21 0.00 0.00 66.02 66.17 2kll s SER 17 CO 0.33 -0.16 1.14 0.42 0.41 0.00 0.00 173.24 175.37 2kll s THR 18 N 1.37 2.50 -0.64 1.44 -4.23 0.84 0.19 115.64 117.11 2kll s THR 18 Ca -0.07 0.17 0.12 0.00 -1.18 0.00 0.00 61.69 60.74 2kll s THR 18 Cb -0.12 -2.41 0.12 0.00 1.34 0.00 0.00 72.50 71.43 2kll s THR 18 CO -0.05 -0.20 1.36 0.00 -0.54 0.00 0.00 174.62 175.19 2kll n TYR 19 N -3.81 0.36 0.36 3.99 9.36 -1.09 -1.22 117.16 125.11 2kll n TYR 19 Ca 0.11 0.18 0.03 0.00 3.32 0.00 0.00 57.90 61.54 2kll n TYR 19 Cb 0.52 -0.79 0.15 0.00 -0.63 0.00 0.00 39.34 38.60 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 -1.86 2.67 -3.58 2.98 3.02 -1.26 -4.87 115.26 112.37 2kll n ASN 20 Ca -0.00 -2.32 -0.22 0.00 -0.03 0.00 0.00 54.58 52.01 2kll n ASN 20 Cb 0.05 -0.53 0.08 0.00 -0.61 0.00 0.00 39.78 38.76 2kll n ASN 20 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kll n ASP 21 N 0.25 -4.90 -4.12 6.41 8.00 -0.35 -5.00 116.55 116.83 2kll n ASP 21 Ca 0.10 -0.59 -0.28 0.00 0.71 0.00 0.00 54.79 54.74 2kll n ASP 21 Cb 0.57 -4.96 -0.17 0.00 -0.02 0.00 0.00 41.12 36.55 2kll n ASP 21 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kll s GLN 22 N -6.06 2.20 0.29 -1.24 -0.21 -1.21 -4.20 119.66 109.23 2kll s GLN 22 Ca 0.41 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 54.97 2kll s GLN 22 Cb -0.18 -1.76 -0.09 0.00 1.00 0.00 0.00 33.01 31.98 2kll s GLN 22 CO 0.74 0.12 0.80 -1.12 -2.12 0.00 0.00 175.29 173.71 2kll s SER 23 N 0.43 7.04 -0.06 5.90 0.01 0.27 -0.11 113.70 127.18 2kll s SER 23 Ca -0.14 1.51 -0.25 0.00 1.31 0.00 0.00 55.95 58.37 2kll s SER 23 Cb -0.16 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 2kll s SER 23 CO 0.05 -0.09 0.78 -0.63 0.41 0.00 0.00 173.24 173.76 2kll s ILE 24 N -1.73 4.99 -0.27 1.44 -1.09 -0.39 -1.10 121.20 123.05 2kll s ILE 24 Ca 0.49 1.61 -0.02 0.00 -2.23 0.00 0.00 60.65 60.51 2kll s ILE 24 Cb -0.15 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2kll s ILE 24 CO 0.20 0.21 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.19 2kll s THR 25 N 0.96 2.90 -0.85 2.92 2.01 0.07 -4.42 115.64 119.23 2kll s THR 25 Ca 0.41 -1.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 2kll s THR 25 Cb -0.18 -2.55 0.15 0.00 0.01 0.00 0.00 72.50 69.93 2kll s THR 25 CO 0.20 0.09 0.96 -0.36 -0.69 0.00 0.00 174.62 174.82 2kll s PHE 26 N 1.29 3.28 -0.97 4.92 0.40 -1.26 -1.77 117.98 123.88 2kll s PHE 26 Ca -0.02 -1.49 -0.17 0.00 -0.60 0.00 0.00 56.93 54.65 2kll s PHE 26 Cb -0.18 -4.11 0.15 0.00 0.51 0.00 0.00 43.02 39.39 2kll s PHE 26 CO -0.03 -1.32 1.13 0.00 0.70 0.00 0.00 175.22 175.70 2kll s ALA 27 N 1.98 3.58 -0.04 5.36 0.00 0.25 -4.98 121.76 127.90 2kll s ALA 27 Ca 0.25 -2.95 0.05 0.00 0.00 0.00 0.00 51.96 49.32 2kll s ALA 27 Cb -0.09 -3.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.03 2kll s ALA 27 CO -0.07 -2.85 -0.20 -0.48 0.00 0.00 0.00 175.76 172.16 2kll s LEU 28 N 2.14 1.97 0.00 0.00 0.05 -1.26 -1.02 118.68 120.57 2kll s LEU 28 Ca 0.33 -0.40 0.01 0.00 0.05 0.00 0.00 54.13 54.11 2kll s LEU 28 Cb -0.05 -1.10 0.02 0.00 -2.05 0.00 0.00 46.19 43.01 2kll s LEU 28 CO -0.08 0.19 0.16 -0.62 -0.55 0.00 0.00 176.35 175.45 2kll n GLU 29 N 3.03 0.73 0.08 1.48 1.02 0.75 -4.94 120.64 122.79 2kll n GLU 29 Ca -0.18 -0.53 0.17 0.00 -0.02 0.00 0.00 57.16 56.60 2kll n GLU 29 Cb 0.53 -0.08 0.69 0.00 -0.02 0.00 0.00 31.44 32.56 2kll n GLU 29 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2kll h ASP 30 N -0.04 0.00 0.00 1.62 3.32 -2.06 -3.26 116.42 116.01 2kll h ASP 30 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kll h ASP 30 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2kll h ASP 30 CO 0.07 0.00 -0.45 -1.84 -1.72 0.00 0.00 179.24 175.30 2kll n GLU 31 N -4.36 2.55 -2.75 3.56 0.28 -1.26 -5.08 120.64 113.58 2kll n GLU 31 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.74 2kll n GLU 31 Cb 0.47 -0.73 -0.05 0.00 1.43 0.00 0.00 31.44 32.56 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 -1.40 6.72 -0.31 -1.84 0.15 -1.23 -5.06 113.70 110.73 2kll s SER 32 Ca 0.00 1.46 -0.02 0.00 0.70 0.00 0.00 55.95 58.09 2kll s SER 32 Cb 0.00 -2.45 0.12 0.00 -1.71 0.00 0.00 66.02 61.97 2kll s SER 32 CO 0.00 -0.41 0.19 -0.31 1.20 0.00 0.00 173.24 173.91 2kll s TYR 33 N -2.32 0.20 -0.08 3.44 2.02 -1.26 -0.18 117.35 119.17 2kll s TYR 33 Ca 0.57 -0.88 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 2kll s TYR 33 Cb -0.10 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2kll s TYR 33 CO 0.23 -0.86 -0.24 -1.21 -1.57 0.00 0.00 175.55 171.91 2kll s GLU 34 N 1.91 2.80 -0.13 -0.62 0.41 -0.19 -4.97 118.70 117.92 2kll s GLU 34 Ca 0.11 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 53.82 2kll s GLU 34 Cb -0.17 -2.25 0.01 0.00 -1.78 0.00 0.00 34.13 29.94 2kll s GLU 34 CO -0.27 0.29 -0.21 0.42 -0.49 0.00 0.00 175.26 175.00 2kll s ILE 35 N 0.06 1.99 -0.04 -1.63 1.01 -1.26 -0.59 121.20 120.74 2kll s ILE 35 Ca -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 2kll s ILE 35 Cb -0.16 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2kll s ILE 35 CO 0.06 0.54 0.12 -0.31 0.00 0.00 0.00 174.94 175.34 2kll s TYR 36 N 0.80 -0.12 -0.26 3.97 2.02 -0.73 -4.39 117.35 118.64 2kll s TYR 36 Ca -0.08 0.31 -0.14 0.00 -0.37 0.00 0.00 57.07 56.79 2kll s TYR 36 Cb -0.16 0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 2kll s TYR 36 CO -0.01 -0.07 0.31 0.08 -1.57 0.00 0.00 175.55 174.30 2kll s VAL 37 N 0.03 5.23 0.10 0.71 1.01 -0.99 -0.75 120.40 125.73 2kll s VAL 37 Ca -0.00 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2kll s VAL 37 Cb -0.01 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2kll s VAL 37 CO 0.00 0.21 0.01 -1.61 0.00 0.00 0.00 175.10 173.71 2kll s GLU 38 N 1.80 2.55 -0.21 2.72 2.02 -0.26 -4.94 118.70 122.38 2kll s GLU 38 Ca 0.13 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.15 2kll s GLU 38 Cb -0.15 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.50 2kll s GLU 38 CO 0.09 0.53 0.12 0.34 0.02 0.00 0.00 175.26 176.36 2kll s ASP 39 N -2.42 6.06 0.14 -0.19 2.15 -1.26 -0.57 116.67 120.57 2kll s ASP 39 Ca 0.26 0.17 -0.31 0.00 0.43 0.00 0.00 52.55 53.10 2kll s ASP 39 Cb -0.11 -2.07 -0.08 0.00 -0.30 0.00 0.00 42.92 40.36 2kll s ASP 39 CO 0.19 0.15 1.41 -0.76 -0.17 0.00 0.00 175.17 175.98 2kll s LEU 40 N 0.54 4.38 0.00 -1.34 1.43 -1.26 -4.96 118.68 117.47 2kll s LEU 40 Ca 0.07 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2kll s LEU 40 Cb -0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2kll s LEU 40 CO -0.00 -0.67 0.00 0.29 0.23 0.00 0.00 176.35 176.20 2kll n LYS 41 N 3.74 0.00 0.00 1.70 4.76 -1.26 -5.05 118.16 122.04 2kll n LYS 41 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2kll n LYS 41 Cb 0.42 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.32 2kll n LYS 41 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kll n LYS 42 N -2.05 0.00 -3.49 1.97 4.76 -1.26 -5.02 118.16 113.08 2kll n LYS 42 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 2kll n LYS 42 Cb 0.00 -0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 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 -1.20 0.51 -4.00 4.39 2.03 -1.26 -5.07 116.55 111.96 2kll n ASP 43 Ca 0.00 -2.63 -0.31 0.00 0.52 0.00 0.00 54.79 52.37 2kll n ASP 43 Cb 0.00 -0.61 -0.15 0.00 -0.72 0.00 0.00 41.12 39.64 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 -0.49 1.74 0.51 -0.67 0.41 -1.26 -5.11 118.70 113.83 2kll s GLU 44 Ca 0.32 -1.40 -0.23 0.00 -0.41 0.00 0.00 54.97 53.24 2kll s GLU 44 Cb 0.04 -2.85 -0.06 0.00 -1.78 0.00 0.00 34.13 29.48 2kll s GLU 44 CO -0.18 -0.72 1.31 1.63 -0.49 0.00 0.00 175.26 176.81 2kll n LYS 45 N 4.46 1.74 -2.45 1.61 4.76 -1.26 -4.96 118.16 122.05 2kll n LYS 45 Ca -0.07 0.63 -0.05 0.00 -2.87 0.00 0.00 58.31 55.95 2kll n LYS 45 Cb 0.42 -2.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.10 2kll n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kll n LYS 46 N -0.68 1.46 -3.77 1.97 4.76 -1.26 -5.14 118.16 115.49 2kll n LYS 46 Ca 0.09 -0.64 -0.37 0.00 -2.87 0.00 0.00 58.31 54.53 2kll n LYS 46 Cb 0.43 0.23 -0.06 0.00 -1.84 0.00 0.00 35.03 33.79 2kll n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kll s ASP 47 N -1.47 6.51 0.27 4.39 1.11 -1.26 -5.10 116.67 121.11 2kll s ASP 47 Ca 0.01 0.61 0.05 0.00 0.18 0.00 0.00 52.55 53.40 2kll s ASP 47 Cb 0.00 -2.12 -0.03 0.00 1.07 0.00 0.00 42.92 41.85 2kll s ASP 47 CO 0.01 0.38 0.40 -0.54 1.18 0.00 0.00 175.17 176.60 2kll s LYS 48 N -1.10 3.37 -0.09 8.23 3.01 -1.26 -4.66 119.74 127.24 2kll s LYS 48 Ca 0.18 -0.78 0.01 0.00 -1.01 0.00 0.00 55.97 54.37 2kll s LYS 48 Cb -0.13 -2.85 0.02 0.00 -1.01 0.00 0.00 37.83 33.85 2kll s LYS 48 CO 0.07 0.32 -0.10 0.08 0.51 0.00 0.00 175.35 176.24 2kll s VAL 49 N -2.06 1.06 -0.27 3.17 1.01 0.27 -4.56 120.40 119.03 2kll s VAL 49 Ca 0.37 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2kll s VAL 49 Cb -0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2kll s VAL 49 CO 0.30 0.35 1.37 -0.22 0.00 0.00 0.00 175.10 176.90 2kll s LEU 50 N 1.17 3.92 -0.08 3.92 2.96 0.03 -0.77 118.68 129.82 2kll s LEU 50 Ca -0.05 1.36 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 2kll s LEU 50 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2kll s LEU 50 CO -0.02 -1.08 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.09 2kll s LEU 51 N 4.44 3.07 -0.04 -0.68 1.02 -0.24 -0.85 118.68 125.40 2kll s LEU 51 Ca 0.59 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.67 2kll s LEU 51 Cb -0.19 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.36 2kll s LEU 51 CO 0.23 0.32 -0.08 -0.55 0.02 0.00 0.00 176.35 176.29 2kll s SER 52 N -0.55 1.18 0.22 2.29 0.15 -0.62 -1.50 113.70 114.88 2kll s SER 52 Ca 0.08 -0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.54 2kll s SER 52 Cb -0.12 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 2kll s SER 52 CO 0.02 0.03 0.43 -0.31 1.20 0.00 0.00 173.24 174.60 2kll s TYR 53 N 0.45 3.48 0.02 3.44 1.51 -0.21 -0.20 117.35 125.85 2kll s TYR 53 Ca -0.07 0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 56.35 2kll s TYR 53 Cb -0.11 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2kll s TYR 53 CO 0.01 0.33 0.03 0.71 -1.11 0.00 0.00 175.55 175.52 2kll s TYR 54 N -1.93 0.23 -0.11 2.71 1.51 -0.29 -1.13 117.35 118.35 2kll s TYR 54 Ca 0.39 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2kll s TYR 54 Cb -0.11 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.53 2kll s TYR 54 CO 0.29 -0.27 0.06 -1.21 -1.11 0.00 0.00 175.55 173.32 2kll s GLU 55 N -1.97 3.25 -0.20 -0.62 2.02 -1.26 -0.65 118.70 119.27 2kll s GLU 55 Ca -0.11 -0.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 2kll s GLU 55 Cb -0.06 -2.99 0.07 0.00 0.10 0.00 0.00 34.13 31.26 2kll s GLU 55 CO -0.02 0.69 0.08 0.45 0.02 0.00 0.00 175.26 176.49 2kll s SER 56 N -0.83 2.78 -0.06 -0.19 0.15 -1.25 -4.93 113.70 109.37 2kll s SER 56 Ca 0.13 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 55.97 2kll s SER 56 Cb -0.12 -0.38 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 2kll s SER 56 CO 0.03 -0.36 -0.13 0.00 1.20 0.00 0.00 173.24 173.97 2kll s GLN 57 N 2.04 1.69 0.30 5.44 -2.07 -1.26 -4.46 119.66 121.35 2kll s GLN 57 Ca 0.03 -0.46 -0.12 0.00 -1.82 0.00 0.00 55.36 52.98 2kll s GLN 57 Cb -0.16 -1.42 -0.08 0.00 -1.09 0.00 0.00 33.01 30.26 2kll s GLN 57 CO -0.15 0.09 0.68 -1.01 -1.32 0.00 0.00 175.29 173.58 2kll s HIS 58 N 0.47 3.40 -1.29 9.60 3.76 -1.26 -4.87 115.29 125.10 2kll s HIS 58 Ca -0.11 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 2kll s HIS 58 Cb -0.14 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.12 2kll s HIS 58 CO 0.03 0.13 0.59 -0.35 -0.85 0.00 0.00 174.74 174.29 2kll n PRO 59 N -0.43 0.92 -3.46 8.40 -0.04 -1.26 -4.81 135.00 134.32 2kll n PRO 59 Ca 0.02 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.11 2kll n PRO 59 Cb 0.53 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 2kll n PRO 59 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kll s SER 60 N -0.37 6.63 -0.01 3.54 1.04 -1.26 -4.96 113.70 118.32 2kll s SER 60 Ca 0.00 0.75 0.04 0.00 0.48 0.00 0.00 55.95 57.22 2kll s SER 60 Cb 0.00 -2.23 0.15 0.00 0.10 0.00 0.00 66.02 64.04 2kll s SER 60 CO 0.00 0.15 1.02 -0.46 0.98 0.00 0.00 173.24 174.93 2kll n ASN 61 N 3.00 1.18 -3.82 7.02 0.23 -1.26 -4.72 115.26 116.89 2kll n ASN 61 Ca -0.11 -2.06 -0.21 0.00 -0.53 0.00 0.00 54.58 51.68 2kll n ASN 61 Cb 0.52 -0.23 -0.17 0.00 -2.08 0.00 0.00 39.78 37.83 2kll n ASN 61 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2kll s GLU 62 N -1.67 0.59 0.00 -3.83 2.12 -1.26 -4.97 118.70 109.67 2kll s GLU 62 Ca 0.11 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.48 2kll s GLU 62 Cb 0.07 -0.80 0.00 0.00 0.26 0.00 0.00 34.13 33.65 2kll s GLU 62 CO 0.06 -0.20 0.00 0.45 -0.54 0.00 0.00 175.26 175.04 2kll n SER 63 N 4.57 0.00 0.00 -1.70 2.88 -1.26 -5.01 113.62 113.10 2kll n SER 63 Ca -0.17 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2kll n SER 63 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2kll n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kll n GLY 64 N 0.00 0.85 2.77 0.46 0.00 -1.26 -4.97 105.19 103.05 2kll n GLY 64 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -7.92 -3.50 1.61 -0.08 -1.26 -5.07 116.55 100.34 2kll n ASP 65 Ca 0.00 1.29 -0.10 0.00 -1.51 0.00 0.00 54.79 54.47 2kll n ASP 65 Cb 0.00 -5.02 -0.02 0.00 2.34 0.00 0.00 41.12 38.42 2kll n ASP 65 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kll s GLY 66 N -1.64 -0.51 -0.07 0.27 0.00 -1.26 -5.16 107.32 98.94 2kll s GLY 66 Ca 0.02 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.25 2kll s GLY 66 CO 0.72 0.17 -0.02 -1.34 0.00 0.00 0.00 173.10 172.63 2kll s VAL 67 N -3.61 0.51 -0.28 1.40 -7.23 -1.26 -4.96 120.40 104.98 2kll s VAL 67 Ca 0.03 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.12 2kll s VAL 67 Cb -0.02 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.32 2kll s VAL 67 CO -0.09 0.26 0.18 -0.67 -0.31 0.00 0.00 175.10 174.47 2kll n ASP 68 N 4.77 -7.50 -1.51 4.85 -0.08 -1.26 -4.99 116.55 110.83 2kll n ASP 68 Ca -0.13 0.89 -0.02 0.00 -1.51 0.00 0.00 54.79 54.02 2kll n ASP 68 Cb 0.50 -4.24 0.02 0.00 2.34 0.00 0.00 41.12 39.75 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 0.54 0.26 3.77 0.27 0.00 -1.26 -5.14 105.19 103.63 2kll n GLY 69 Ca 0.02 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 0.04 4.36 0.13 1.61 -0.14 -1.26 -4.98 119.74 119.50 2kll s LYS 70 Ca 0.03 2.05 -0.30 0.00 -1.36 0.00 0.00 55.97 56.38 2kll s LYS 70 Cb 0.13 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 33.18 2kll s LYS 70 CO -0.04 -0.12 1.20 0.00 -0.76 0.00 0.00 175.35 175.63 2kll s MET 71 N -1.81 4.47 -0.21 1.68 0.23 -1.26 -5.00 119.30 117.40 2kll s MET 71 Ca 0.49 1.82 -0.10 0.00 -1.03 0.00 0.00 55.69 56.88 2kll s MET 71 Cb -0.36 -3.29 -0.05 0.00 -1.53 0.00 0.00 34.83 29.60 2kll s MET 71 CO 0.47 -0.15 0.13 -0.51 -2.03 0.00 0.00 175.02 172.93 2kll s LEU 72 N 0.34 4.10 0.67 0.18 1.43 -1.26 -3.87 118.68 120.26 2kll s LEU 72 Ca 0.55 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.73 2kll s LEU 72 Cb -0.31 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 43.87 2kll s LEU 72 CO 0.33 0.14 1.01 -0.04 0.23 0.00 0.00 176.35 178.02 2kll s MET 73 N 0.60 2.61 -0.04 1.70 -1.94 0.18 -2.38 119.30 120.02 2kll s MET 73 Ca 0.07 0.06 -0.14 0.00 -1.71 0.00 0.00 55.69 53.96 2kll s MET 73 Cb -0.12 -2.15 0.03 0.00 2.01 0.00 0.00 34.83 34.60 2kll s MET 73 CO 0.00 -1.02 0.32 0.54 -0.01 0.00 0.00 175.02 174.85 2kll s VAL 74 N -3.21 0.04 -0.07 -6.03 0.11 0.16 -1.14 120.40 110.26 2kll s VAL 74 Ca 0.57 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 59.32 2kll s VAL 74 Cb -0.11 -0.58 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2kll s VAL 74 CO 0.47 -0.19 -0.22 0.42 -3.33 0.00 0.00 175.10 172.25 2kll s THR 75 N -0.95 1.87 -0.18 5.04 -4.23 0.71 -1.33 115.64 116.57 2kll s THR 75 Ca -0.10 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2kll s THR 75 Cb -0.04 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 2kll s THR 75 CO 0.03 0.52 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.80 2kll s LEU 76 N 0.15 2.89 -0.34 4.79 1.43 -1.26 -1.59 118.68 124.76 2kll s LEU 76 Ca -0.11 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2kll s LEU 76 Cb -0.15 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.49 2kll s LEU 76 CO 0.06 0.08 0.18 -0.55 0.23 0.00 0.00 176.35 176.34 2kll s SER 77 N 0.87 3.34 0.00 2.29 0.15 -0.03 -2.36 113.70 117.95 2kll s SER 77 Ca -0.02 -1.90 0.18 0.00 0.70 0.00 0.00 55.95 54.91 2kll s SER 77 Cb -0.15 -0.51 0.80 0.00 -1.71 0.00 0.00 66.02 64.46 2kll s SER 77 CO 0.01 -0.36 1.55 -0.81 1.20 0.00 0.00 173.24 174.83 2kll n PRO 78 N 4.45 0.10 0.00 5.44 -0.04 -1.26 -0.79 135.00 142.89 2kll n PRO 78 Ca 0.05 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2kll n PRO 78 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.42 0.00 0.00 0.52 -2.24 -1.26 -4.78 114.28 105.10 2kll n THR 79 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2kll n THR 79 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.04 -0.78 4.76 -1.26 -4.80 118.16 116.04 2kll n LYS 80 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2kll n LYS 80 Cb 0.00 -0.51 -0.13 0.00 -1.84 0.00 0.00 35.03 32.55 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 -0.50 2.03 -4.68 4.39 9.92 -1.26 -4.92 116.55 121.52 2kll n ASP 81 Ca 0.00 0.26 -0.56 0.00 -0.53 0.00 0.00 54.79 53.97 2kll n ASP 81 Cb 0.00 -0.87 -0.07 0.00 -0.64 0.00 0.00 41.12 39.54 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 -3.81 1.96 -3.90 1.24 3.72 -1.26 -4.80 117.46 110.61 2kll n PHE 82 Ca -0.34 0.52 -0.23 0.00 -0.05 0.00 0.00 57.45 57.35 2kll n PHE 82 Cb 0.92 -2.45 -0.05 0.00 -0.94 0.00 0.00 39.48 36.96 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 2.90 2.69 -0.01 1.38 0.51 -0.48 -4.36 118.94 121.58 2kll s TRP 83 Ca 0.95 -0.48 -0.26 0.00 -2.12 0.00 0.00 56.10 54.19 2kll s TRP 83 Cb -1.01 -1.94 -0.04 0.00 -0.81 0.00 0.00 33.47 29.66 2kll s TRP 83 CO 0.60 0.12 0.80 -0.51 -0.51 0.00 0.00 176.95 177.45 2kll s LEU 84 N -3.98 4.38 -0.07 2.99 1.02 -0.99 -1.39 118.68 120.64 2kll s LEU 84 Ca 0.43 1.41 -0.01 0.00 0.02 0.00 0.00 54.13 55.98 2kll s LEU 84 Cb -0.01 -3.28 0.03 0.00 0.02 0.00 0.00 46.19 42.95 2kll s LEU 84 CO 0.25 -0.11 -0.01 -1.00 0.02 0.00 0.00 176.35 175.49 2kll s HIS 85 N 0.57 0.75 0.17 0.29 3.76 -0.10 -4.49 115.29 116.25 2kll s HIS 85 Ca 0.42 -0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.82 2kll s HIS 85 Cb -0.20 -0.81 -0.08 0.00 1.11 0.00 0.00 32.58 32.61 2kll s HIS 85 CO 0.23 -0.32 0.89 0.00 -0.85 0.00 0.00 174.74 174.70 2kll s ALA 86 N 1.73 3.34 -0.20 -1.40 0.00 -1.26 -1.23 121.76 122.75 2kll s ALA 86 Ca 0.02 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 2kll s ALA 86 Cb -0.13 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2kll s ALA 86 CO -0.04 0.15 -0.14 -0.80 0.00 0.00 0.00 175.76 174.92 2kll s ASN 87 N -0.77 3.56 0.00 0.00 0.02 -0.02 -4.97 114.94 112.77 2kll s ASN 87 Ca 0.41 -0.60 0.13 0.00 -1.02 0.00 0.00 52.86 51.78 2kll s ASN 87 Cb -0.24 -1.57 0.80 0.00 0.02 0.00 0.00 41.25 40.26 2kll s ASN 87 CO 0.29 -0.02 1.42 -0.46 0.02 0.00 0.00 177.10 178.36 2kll n ASN 88 N 4.67 0.00 -0.04 -1.22 6.94 -1.26 -1.77 115.26 122.58 2kll n ASN 88 Ca -0.20 -1.34 -0.12 0.00 -0.02 0.00 0.00 54.58 52.91 2kll n ASN 88 Cb 0.50 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.82 2kll n ASN 88 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2kll h LYS 89 N 0.00 -0.03 0.00 -3.83 1.63 -1.93 -3.39 116.57 109.02 2kll h LYS 89 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kll h LYS 89 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2kll h LYS 89 CO 0.00 0.68 -0.07 0.39 -3.45 0.00 0.00 179.45 177.00 2kll n GLU 90 N -4.71 1.47 -3.73 1.90 1.02 -1.24 -5.00 120.64 110.35 2kll n GLU 90 Ca -0.08 -1.95 -0.23 0.00 -0.02 0.00 0.00 57.16 54.87 2kll n GLU 90 Cb 0.35 -1.17 0.04 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.91 -2.09 -4.03 -0.32 8.25 -0.73 -4.93 115.22 110.47 2kll n HIS 91 Ca 0.09 0.88 -0.11 0.00 -0.26 0.00 0.00 57.72 58.31 2kll n HIS 91 Cb 0.54 -4.38 -0.11 0.00 1.12 0.00 0.00 29.99 27.16 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 -4.04 0.57 -0.18 0.41 0.01 -1.09 -1.05 113.70 108.33 2kll s SER 92 Ca 0.20 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 2kll s SER 92 Cb -0.10 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 2kll s SER 92 CO 0.81 -0.28 0.02 0.54 0.41 0.00 0.00 173.24 174.74 2kll s VAL 93 N -1.62 4.37 0.38 3.43 0.11 -1.26 -0.84 120.40 124.97 2kll s VAL 93 Ca -0.11 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 2kll s VAL 93 Cb -0.09 -2.96 -0.07 0.00 -1.53 0.00 0.00 36.38 31.73 2kll s VAL 93 CO -0.01 0.46 0.03 -1.61 -3.33 0.00 0.00 175.10 170.64 2kll s GLU 94 N 0.55 1.85 -0.15 1.54 0.41 -0.36 -4.90 118.70 117.64 2kll s GLU 94 Ca 0.01 -2.05 -0.15 0.00 -0.41 0.00 0.00 54.97 52.36 2kll s GLU 94 Cb -0.13 -1.32 -0.04 0.00 -1.78 0.00 0.00 34.13 30.85 2kll s GLU 94 CO 0.02 -0.12 0.36 -0.51 -0.49 0.00 0.00 175.26 174.51 2kll s LEU 95 N -3.63 4.25 -0.01 1.80 1.02 -1.26 -0.92 118.68 119.93 2kll s LEU 95 Ca 0.34 0.60 -0.02 0.00 0.02 0.00 0.00 54.13 55.08 2kll s LEU 95 Cb 0.09 -2.48 -0.00 0.00 0.02 0.00 0.00 46.19 43.82 2kll s LEU 95 CO 0.16 0.06 0.04 -1.00 0.02 0.00 0.00 176.35 175.63 2kll s HIS 96 N 0.57 0.02 -0.42 0.29 3.76 -0.48 -4.91 115.29 114.12 2kll s HIS 96 Ca 0.20 -0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 55.02 2kll s HIS 96 Cb -0.14 -0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.62 2kll s HIS 96 CO 0.06 -0.08 0.25 0.21 -0.85 0.00 0.00 174.74 174.33 2kll s LYS 97 N -0.40 2.37 0.52 1.40 2.20 -1.26 -1.38 119.74 123.19 2kll s LYS 97 Ca -0.05 -1.64 0.06 0.00 -0.36 0.00 0.00 55.97 53.98 2kll s LYS 97 Cb -0.03 -3.72 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 2kll s LYS 97 CO -0.00 -1.03 0.50 0.00 -0.36 0.00 0.00 175.35 174.46 2kll s GLU 99 N -4.21 -1.39 0.16 0.00 0.41 -1.26 -4.93 118.70 107.48 2kll s GLU 99 Ca 0.38 0.20 -0.22 0.00 -0.41 0.00 0.00 54.97 54.93 2kll s GLU 99 Cb -0.03 -1.55 0.05 0.00 -1.78 0.00 0.00 34.13 30.82 2kll s GLU 99 CO 0.24 -3.88 1.63 -0.22 -0.49 0.00 0.00 175.26 172.54 2kll h LYS 100 N -2.71 -0.21 -5.34 1.61 1.63 -2.04 -3.36 116.57 106.15 2kll h LYS 100 Ca -0.49 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 2kll h LYS 100 Cb 1.32 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.99 2kll h LYS 100 CO 0.39 -0.14 0.08 -1.25 -3.45 0.00 0.00 179.45 175.09 2kll s PRO 101 N -6.09 1.61 0.22 1.90 0.04 -1.26 -4.91 135.00 126.52 2kll s PRO 101 Ca -0.15 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 2kll s PRO 101 Cb 0.13 -4.84 -0.10 0.00 0.04 0.00 0.00 34.50 29.74 2kll s PRO 101 CO 0.68 -4.52 1.43 -0.51 0.04 0.00 0.00 177.00 174.12 2kll s LEU 102 N 14.76 4.39 0.91 -3.56 1.43 -1.26 -5.02 118.68 130.33 2kll s LEU 102 Ca 0.89 2.60 -0.15 0.00 -1.03 0.00 0.00 54.13 56.45 2kll s LEU 102 Cb -0.11 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.65 2kll s LEU 102 CO 0.09 -0.68 1.26 -2.16 0.23 0.00 0.00 176.35 175.09 2kll s PRO 103 N -0.09 1.06 0.35 1.29 0.04 -1.26 -4.91 135.00 131.47 2kll s PRO 103 Ca 0.60 -0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.46 2kll s PRO 103 Cb -0.41 -1.88 0.64 0.00 0.04 0.00 0.00 34.50 32.89 2kll s PRO 103 CO 0.40 -2.16 1.99 -0.44 0.04 0.00 0.00 177.00 176.83 2kll h ASP 104 N -1.46 0.74 0.09 6.66 3.32 -1.95 -0.29 116.42 123.53 2kll h ASP 104 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2kll h ASP 104 Cb 1.27 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2kll h ASP 104 CO 0.48 0.52 0.00 1.56 -1.72 0.00 0.00 179.24 180.08 2kll h GLN 105 N 0.87 0.00 0.00 3.56 4.20 -1.95 -0.79 115.11 121.00 2kll h GLN 105 Ca 0.27 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.75 2kll h GLN 105 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2kll h GLN 105 CO -0.07 0.00 -1.18 0.00 -0.67 0.00 0.00 178.83 176.91 2kll h ALA 106 N 2.01 0.50 -2.87 3.87 0.00 -1.27 -3.35 119.26 118.14 2kll h ALA 106 Ca 0.00 -1.04 -0.59 0.00 0.00 0.00 0.00 54.91 53.28 2kll h ALA 106 Cb 0.05 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 2kll h ALA 106 CO 0.00 1.30 -0.16 -0.06 0.00 0.00 0.00 179.25 180.32 2kll s PHE 107 N -2.70 3.43 -0.12 0.00 0.08 -0.30 -4.60 117.98 113.77 2kll s PHE 107 Ca -0.01 0.73 0.01 0.00 0.12 0.00 0.00 56.93 57.79 2kll s PHE 107 Cb 0.09 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.99 2kll s PHE 107 CO 0.82 0.05 -0.17 -0.06 -0.10 0.00 0.00 175.22 175.76 2kll s PHE 108 N 1.07 2.72 -0.70 0.36 0.08 -0.44 -3.89 117.98 117.17 2kll s PHE 108 Ca 0.22 -0.75 -0.27 0.00 0.12 0.00 0.00 56.93 56.25 2kll s PHE 108 Cb -0.15 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2kll s PHE 108 CO 0.09 -0.26 1.34 0.08 -0.10 0.00 0.00 175.22 176.36 2kll s VAL 109 N 0.29 3.72 0.27 -0.44 1.01 0.48 0.40 120.40 126.12 2kll s VAL 109 Ca -0.12 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2kll s VAL 109 Cb -0.16 -4.78 -0.09 0.00 0.00 0.00 0.00 36.38 31.34 2kll s VAL 109 CO 0.06 -1.68 1.19 -0.22 0.00 0.00 0.00 175.10 174.45 2kll s LEU 110 N 6.01 4.49 -0.02 3.92 0.20 -1.00 -0.86 118.68 131.41 2kll s LEU 110 Ca 0.40 2.37 0.02 0.00 0.69 0.00 0.00 54.13 57.61 2kll s LEU 110 Cb -0.09 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2kll s LEU 110 CO 0.17 -0.32 -0.08 -1.00 -0.29 0.00 0.00 176.35 174.84 2kll s HIS 111 N -0.82 0.81 -0.13 5.38 3.76 -0.42 -4.58 115.29 119.29 2kll s HIS 111 Ca 0.48 -0.19 -0.22 0.00 -0.15 0.00 0.00 55.06 54.98 2kll s HIS 111 Cb -0.34 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 2kll s HIS 111 CO 0.43 -0.09 0.67 -0.80 -0.85 0.00 0.00 174.74 174.10 2kll s ASN 112 N 0.21 6.86 -0.14 1.40 -0.87 -1.26 -0.65 114.94 120.48 2kll s ASN 112 Ca -0.03 1.03 0.02 0.00 -1.57 0.00 0.00 52.86 52.32 2kll s ASN 112 Cb -0.08 -2.38 -0.10 0.00 -0.02 0.00 0.00 41.25 38.67 2kll s ASN 112 CO 0.00 -0.19 -0.10 0.23 -2.57 0.00 0.00 177.10 174.47 2kll n MET 113 N 4.38 0.63 -0.64 -0.60 2.81 -1.16 -4.99 117.12 117.54 2kll n MET 113 Ca -0.01 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2kll n MET 113 Cb 0.50 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 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 -2.84 0.00 0.33 2.03 8.25 -1.19 -5.02 115.22 116.79 2kll n HIS 114 Ca -0.24 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.04 2kll n HIS 114 Cb 0.78 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.81 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 -0.95 0.00 0.41 0.02 -2.02 -3.36 113.55 107.66 2kll h SER 115 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2kll h SER 115 Cb 0.00 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2kll h SER 115 CO 0.00 -0.58 -0.32 -3.20 -1.14 0.00 0.00 176.83 171.60 2kll n ASN 116 N -5.51 0.86 -4.75 3.07 2.85 -1.26 -5.02 115.26 105.50 2kll n ASN 116 Ca -0.12 -0.47 -0.41 0.00 -0.11 0.00 0.00 54.58 53.46 2kll n ASN 116 Cb 0.40 1.02 -0.04 0.00 1.24 0.00 0.00 39.78 42.41 2kll n ASN 116 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kll s VAL 118 N -0.59 0.79 0.13 0.00 -7.23 -0.30 -3.01 120.40 110.19 2kll s VAL 118 Ca 0.49 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2kll s VAL 118 Cb -0.33 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2kll s VAL 118 CO 0.40 -0.57 -0.10 -0.94 -0.31 0.00 0.00 175.10 173.58 2kll s SER 119 N -3.16 1.67 -0.42 4.85 1.04 0.17 -0.98 113.70 116.88 2kll s SER 119 Ca 0.21 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.74 2kll s SER 119 Cb 0.05 -0.00 0.11 0.00 0.10 0.00 0.00 66.02 66.28 2kll s SER 119 CO 0.02 -0.30 0.15 -0.36 0.98 0.00 0.00 173.24 173.73 2kll s PHE 120 N -2.98 3.38 0.26 5.02 0.08 -1.26 -1.31 117.98 121.17 2kll s PHE 120 Ca 0.12 -3.01 -0.29 0.00 0.12 0.00 0.00 56.93 53.87 2kll s PHE 120 Cb 0.00 -2.80 -0.09 0.00 -0.57 0.00 0.00 43.02 39.56 2kll s PHE 120 CO 0.00 -0.85 0.99 -2.00 -0.10 0.00 0.00 175.22 173.25 2kll s GLU 121 N 0.41 4.77 -0.10 0.44 2.12 -0.04 -0.92 118.70 125.38 2kll s GLU 121 Ca 0.14 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 2kll s GLU 121 Cb -0.22 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 2kll s GLU 121 CO -0.05 0.41 1.19 0.00 -0.54 0.00 0.00 175.26 176.27 2kll h LYS 123 N 7.63 0.00 0.00 0.00 3.64 -1.82 -2.17 116.57 123.85 2kll h LYS 123 Ca -0.31 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2kll h LYS 123 Cb 1.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2kll h LYS 123 CO 0.91 0.09 -1.02 1.79 -2.27 0.00 0.00 179.45 178.95 2kll h THR 124 N 0.00 0.43 -2.95 1.00 1.35 -1.87 -3.43 112.91 107.43 2kll h THR 124 Ca -0.00 -1.74 -0.54 0.00 -0.55 0.00 0.00 66.41 63.58 2kll h THR 124 Cb 0.41 1.99 -0.40 0.00 -1.73 0.00 0.00 68.15 68.42 2kll h THR 124 CO 0.01 0.24 -0.77 -1.81 -0.25 0.00 0.00 175.52 172.95 2kll s ASP 125 N -5.86 3.58 0.15 5.36 1.11 -0.82 -5.13 116.67 115.06 2kll s ASP 125 Ca -0.00 -1.33 -0.31 0.00 0.18 0.00 0.00 52.55 51.10 2kll s ASP 125 Cb 0.08 -0.52 -0.08 0.00 1.07 0.00 0.00 42.92 43.47 2kll s ASP 125 CO 0.78 -0.42 1.31 -2.16 1.18 0.00 0.00 175.17 175.87 2kll s PRO 126 N 1.93 4.38 0.00 8.23 0.04 -1.22 -3.31 135.00 145.05 2kll s PRO 126 Ca 0.08 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2kll s PRO 126 Cb -0.16 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2kll s PRO 126 CO -0.30 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2kll n GLY 127 N 2.89 2.39 3.79 0.56 0.00 -1.26 -5.06 105.19 108.50 2kll n GLY 127 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2kll n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kll s VAL 128 N -2.26 4.96 0.08 1.61 0.11 -1.21 -3.49 120.40 120.20 2kll s VAL 128 Ca 0.00 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 2kll s VAL 128 Cb 0.00 -3.13 -0.03 0.00 -1.53 0.00 0.00 36.38 31.69 2kll s VAL 128 CO 0.00 0.61 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.87 2kll s PHE 129 N -0.96 1.30 0.35 1.54 0.08 -0.45 -1.09 117.98 118.76 2kll s PHE 129 Ca 0.14 -0.46 -0.28 0.00 0.12 0.00 0.00 56.93 56.45 2kll s PHE 129 Cb -0.12 -0.72 -0.10 0.00 -0.57 0.00 0.00 43.02 41.51 2kll s PHE 129 CO 0.03 0.08 1.31 0.42 -0.10 0.00 0.00 175.22 176.96 2kll s ILE 130 N -1.32 2.68 0.03 0.64 1.01 -0.09 -0.52 121.20 123.62 2kll s ILE 130 Ca -0.00 0.67 -0.28 0.00 0.00 0.00 0.00 60.65 61.04 2kll s ILE 130 Cb -0.10 -3.41 0.10 0.00 0.01 0.00 0.00 42.46 39.05 2kll s ILE 130 CO 0.03 0.14 0.85 -0.83 0.00 0.00 0.00 174.94 175.13 2kll s GLY 131 N -0.55 -0.48 -0.45 6.18 0.00 -0.00 -4.53 107.32 107.48 2kll s GLY 131 Ca 0.51 0.90 -0.29 0.00 0.00 0.00 0.00 44.72 45.84 2kll s GLY 131 CO 0.52 0.30 1.27 0.14 0.00 0.00 0.00 173.10 175.33 2kll s VAL 132 N -3.22 4.05 0.00 1.40 1.01 -1.24 0.07 120.40 122.47 2kll s VAL 132 Ca 0.05 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2kll s VAL 132 Cb -0.01 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2kll s VAL 132 CO -0.09 -0.90 0.01 1.17 0.00 0.00 0.00 175.10 175.30 2kll n LYS 133 N 7.98 0.00 -0.07 2.72 3.00 0.05 -4.82 118.16 127.02 2kll n LYS 133 Ca 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 2kll n LYS 133 Cb 0.49 -0.18 -0.04 0.00 0.00 0.00 0.00 35.03 35.29 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 0.00 0.00 3.14 3.58 -1.95 -3.45 116.42 117.73 2kll h ASP 134 Ca 0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2kll h ASP 134 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kll h ASP 134 CO 0.00 0.89 -0.02 0.59 -2.88 0.00 0.00 179.24 177.82 2kll n ASN 135 N -4.60 0.00 -3.33 2.28 4.13 -1.26 -5.09 115.26 107.38 2kll n ASN 135 Ca -0.12 -1.04 -0.17 0.00 1.68 0.00 0.00 54.58 54.94 2kll n ASN 135 Cb 0.33 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 2kll n ASN 135 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2kll s HIS 136 N 0.00 1.40 0.45 3.10 -3.43 -1.26 -2.34 115.29 113.21 2kll s HIS 136 Ca 0.00 -1.48 -0.21 0.00 -0.80 0.00 0.00 55.06 52.57 2kll s HIS 136 Cb 0.00 -0.41 -0.09 0.00 -1.43 0.00 0.00 32.58 30.65 2kll s HIS 136 CO 0.00 -0.99 1.01 -0.51 -2.00 0.00 0.00 174.74 172.25 2kll s LEU 137 N -3.30 3.92 -0.12 5.38 1.43 -1.26 -0.77 118.68 123.97 2kll s LEU 137 Ca 0.36 1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 2kll s LEU 137 Cb 0.01 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.85 2kll s LEU 137 CO 0.24 -0.61 0.93 0.00 0.23 0.00 0.00 176.35 177.13 2kll s ALA 138 N -1.98 -1.89 -0.72 4.21 0.00 0.11 -4.41 121.76 117.08 2kll s ALA 138 Ca 0.64 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.79 2kll s ALA 138 Cb -0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2kll s ALA 138 CO 0.19 -0.38 1.85 -0.51 0.00 0.00 0.00 175.76 176.91 2kll s LEU 139 N -1.34 3.25 -0.40 0.00 1.02 -0.21 -0.82 118.68 120.18 2kll s LEU 139 Ca -0.02 -0.06 -0.14 0.00 0.02 0.00 0.00 54.13 53.93 2kll s LEU 139 Cb -0.00 -2.54 0.02 0.00 0.02 0.00 0.00 46.19 43.69 2kll s LEU 139 CO 0.01 -2.45 0.27 -0.63 0.02 0.00 0.00 176.35 173.57 2kll s ILE 140 N 9.14 5.02 -0.43 -0.59 1.01 0.32 -4.89 121.20 130.77 2kll s ILE 140 Ca 0.66 -0.74 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 2kll s ILE 140 Cb -0.10 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2kll s ILE 140 CO 0.13 -0.29 0.57 -0.75 0.00 0.00 0.00 174.94 174.60 2kll s LYS 141 N 1.63 3.22 -0.13 2.79 2.20 -1.26 -1.34 119.74 126.85 2kll s LYS 141 Ca 0.04 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2kll s LYS 141 Cb -0.19 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 2kll s LYS 141 CO 0.09 -0.95 -0.11 0.08 -0.36 0.00 0.00 175.35 174.10 2kll s VAL 142 N 2.57 3.26 0.37 4.02 1.01 -1.23 -4.96 120.40 125.44 2kll s VAL 142 Ca 0.19 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 2kll s VAL 142 Cb -0.15 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 2kll s VAL 142 CO 0.17 0.52 1.12 -0.62 0.00 0.00 0.00 175.10 176.29 2kll s ASP 143 N 0.33 6.78 0.33 3.32 2.15 -1.26 -4.87 116.67 123.44 2kll s ASP 143 Ca -0.09 2.24 -0.29 0.00 0.43 0.00 0.00 52.55 54.84 2kll s ASP 143 Cb -0.15 -2.61 -0.10 0.00 -0.30 0.00 0.00 42.92 39.75 2kll s ASP 143 CO 0.05 -0.49 1.29 -0.44 -0.17 0.00 0.00 175.17 175.41 2kll s SER 144 N -1.19 6.82 0.00 -0.34 0.01 -1.26 -2.43 113.70 115.30 2kll s SER 144 Ca 0.54 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.45 2kll s SER 144 Cb -0.28 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.30 2kll s SER 144 CO 0.36 -0.50 0.00 -1.20 0.41 0.00 0.00 173.24 172.31 2kll n SER 145 N 0.83 -1.26 -0.11 2.44 7.64 -1.26 -4.75 113.62 117.15 2kll n SER 145 Ca -0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2kll n SER 145 Cb 0.42 -2.20 -0.08 0.00 -1.01 0.00 0.00 64.21 61.34 2kll n SER 145 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kll n GLU 146 N -1.49 0.56 -3.13 1.43 4.07 -1.02 -4.81 120.64 116.25 2kll n GLU 146 Ca 0.00 0.34 -0.17 0.00 -0.06 0.00 0.00 57.16 57.28 2kll n GLU 146 Cb 0.09 -1.55 -0.02 0.00 -0.06 0.00 0.00 31.44 29.90 2kll n GLU 146 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2kll n ASN 147 N -4.38 0.82 0.00 4.31 4.13 -1.16 -4.90 115.26 114.08 2kll n ASN 147 Ca -0.35 -2.99 0.12 0.00 1.68 0.00 0.00 54.58 53.04 2kll n ASN 147 Cb 0.69 -0.55 0.60 0.00 -1.54 0.00 0.00 39.78 38.97 2kll n ASN 147 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kll n LEU 148 N 0.25 0.00 -0.54 3.41 4.77 -1.26 -2.87 117.00 120.76 2kll n LEU 148 Ca 0.23 0.36 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 2kll n LEU 148 Cb 0.68 -0.36 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 2kll n LEU 148 CO 0.21 -0.06 0.58 0.00 -1.33 0.00 0.00 177.39 176.80 2kll s THR 150 N -1.65 4.27 0.01 0.00 -4.23 -1.14 -4.88 115.64 108.03 2kll s THR 150 Ca 0.18 0.95 0.31 0.00 -1.18 0.00 0.00 61.69 61.95 2kll s THR 150 Cb 0.10 -4.57 0.33 0.00 1.34 0.00 0.00 72.50 69.70 2kll s THR 150 CO 0.11 -1.02 1.94 -0.33 -0.54 0.00 0.00 174.62 174.78 2kll h GLU 151 N 9.24 0.00 -0.22 3.99 5.08 -1.93 -3.04 114.58 127.70 2kll h GLU 151 Ca -0.24 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2kll h GLU 151 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kll h GLU 151 CO 1.10 0.00 0.12 -0.91 -1.00 0.00 0.00 179.01 178.32 2kll h ASN 152 N 0.00 0.19 -0.12 1.42 4.21 -1.89 -2.19 115.58 117.18 2kll h ASN 152 Ca 0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.46 2kll h ASN 152 Cb 0.27 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.41 2kll h ASN 152 CO 0.00 0.14 0.07 2.30 -1.29 0.00 0.00 177.43 178.65 2kll n ILE 153 N -4.98 1.14 -3.95 2.81 -5.35 -1.15 -3.70 119.36 104.18 2kll n ILE 153 Ca -0.03 -0.25 -0.29 0.00 -0.27 0.00 0.00 62.75 61.92 2kll n ILE 153 Cb 0.05 -0.85 -0.16 0.00 -1.74 0.00 0.00 39.64 36.93 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 -0.43 1.64 0.26 7.28 1.43 -0.82 -4.36 118.68 123.68 2kll s LEU 154 Ca 0.08 -0.55 0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2kll s LEU 154 Cb 0.06 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 2kll s LEU 154 CO 0.02 -0.12 -0.19 -0.36 0.23 0.00 0.00 176.35 175.93 2kll s PHE 155 N 1.56 2.17 -0.03 0.29 0.40 -0.15 -2.66 117.98 119.56 2kll s PHE 155 Ca 0.03 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 2kll s PHE 155 Cb -0.14 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.44 2kll s PHE 155 CO -0.09 0.64 -0.11 0.15 0.70 0.00 0.00 175.22 176.51 2kll s LYS 156 N -3.50 1.20 -0.23 0.44 1.02 0.13 -1.15 119.74 117.65 2kll s LYS 156 Ca 0.28 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 55.84 2kll s LYS 156 Cb -0.04 -1.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2kll s LYS 156 CO 0.13 0.14 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.17 2kll s LEU 157 N 0.20 3.04 -0.29 3.17 1.43 -1.26 -0.35 118.68 124.63 2kll s LEU 157 Ca -0.04 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2kll s LEU 157 Cb -0.10 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.37 2kll s LEU 157 CO 0.01 -0.03 0.02 -0.44 0.23 0.00 0.00 176.35 176.14 2kll s SER 158 N 1.51 4.85 -0.87 2.29 0.01 -0.89 -4.87 113.70 115.72 2kll s SER 158 Ca 0.06 -0.93 -0.13 0.00 1.31 0.00 0.00 55.95 56.25 2kll s SER 158 Cb -0.15 -1.78 0.23 0.00 0.21 0.00 0.00 66.02 64.54 2kll s SER 158 CO -0.02 -0.20 0.82 -1.83 0.41 0.00 0.00 173.24 172.41 2kll s GLU 159 N 1.38 3.69 0.00 12.44 -1.05 -1.26 -2.06 118.70 131.84 2kll s GLU 159 Ca -0.00 -2.57 0.00 0.00 -0.15 0.00 0.00 54.97 52.25 2kll s GLU 159 Cb -0.18 -4.45 0.00 0.00 -0.44 0.00 0.00 34.13 29.07 2kll s GLU 159 CO -0.00 -1.28 0.00 -2.37 0.95 0.00 0.00 175.26 172.55