#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kup n SER 2 N 0.00 2.63 -3.63 1.61 7.64 -1.26 -4.97 113.62 115.64 2kup n SER 2 Ca 0.00 -1.79 -0.14 0.00 1.01 0.00 0.00 58.87 57.96 2kup n SER 2 Cb 0.00 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 2kup n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kup s SER 3 N -1.46 -0.72 0.00 6.43 0.15 -1.26 -5.17 113.70 111.67 2kup s SER 3 Ca 0.23 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.27 2kup s SER 3 Cb 0.16 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.87 2kup s SER 3 CO 0.23 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2kup n GLY 4 N 2.63 0.73 2.97 9.45 0.00 -1.26 -5.16 105.19 114.55 2kup n GLY 4 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2kup n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kup s SER 5 N -0.60 0.30 0.00 1.61 0.15 -1.26 -5.08 113.70 108.82 2kup s SER 5 Ca 0.00 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2kup s SER 5 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2kup s SER 5 CO 0.00 -0.19 0.54 -1.54 1.20 0.00 0.00 173.24 173.25 2kup n SER 6 N 2.01 0.00 0.00 5.45 3.41 -1.26 -5.15 113.62 118.09 2kup n SER 6 Ca -0.20 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 2kup n SER 6 Cb 0.56 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2kup n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kup n GLY 7 N 0.00 0.15 3.77 5.00 0.00 -1.26 -4.98 105.19 107.86 2kup n GLY 7 Ca 0.00 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 2kup n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kup s LEU 8 N 0.00 3.87 -0.28 0.99 1.02 -1.26 -5.05 118.68 117.97 2kup s LEU 8 Ca 0.00 2.34 0.01 0.00 0.02 0.00 0.00 54.13 56.50 2kup s LEU 8 Cb 0.00 -4.39 0.16 0.00 0.02 0.00 0.00 46.19 41.98 2kup s LEU 8 CO 0.00 -1.19 0.42 0.54 0.02 0.00 0.00 176.35 176.14 2kup s ASN 9 N -1.45 0.14 -0.05 2.29 4.22 -1.26 -5.15 114.94 113.68 2kup s ASN 9 Ca 0.69 -0.13 -0.29 0.00 -2.14 0.00 0.00 52.86 51.00 2kup s ASN 9 Cb -0.29 1.22 -0.02 0.00 1.28 0.00 0.00 41.25 43.43 2kup s ASN 9 CO 0.34 -0.33 0.94 -0.13 -2.04 0.00 0.00 177.10 175.88 2kup s ARG 10 N 2.58 4.48 -0.22 3.55 3.00 -1.26 -5.05 118.95 126.03 2kup s ARG 10 Ca 0.11 1.31 -0.08 0.00 0.00 0.00 0.00 55.73 57.07 2kup s ARG 10 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 2kup s ARG 10 CO -0.26 -0.14 0.09 0.16 0.00 0.00 0.00 175.30 175.15 2kup s ASP 11 N 1.02 5.50 -0.38 0.23 -4.77 -1.26 -5.08 116.67 111.93 2kup s ASP 11 Ca 0.48 -0.05 -0.29 0.00 -3.30 0.00 0.00 52.55 49.39 2kup s ASP 11 Cb -0.19 -1.97 0.01 0.00 -1.09 0.00 0.00 42.92 39.67 2kup s ASP 11 CO 0.22 0.06 1.33 -0.94 0.70 0.00 0.00 175.17 176.54 2kup s SER 12 N 1.08 6.50 -0.15 2.11 1.04 -1.26 -5.00 113.70 118.02 2kup s SER 12 Ca 0.05 0.92 -0.06 0.00 0.48 0.00 0.00 55.95 57.33 2kup s SER 12 Cb -0.14 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.51 2kup s SER 12 CO 0.04 -1.28 0.33 0.54 0.98 0.00 0.00 173.24 173.85 2kup s VAL 13 N 4.91 -0.34 0.62 5.02 0.11 -1.26 -4.47 120.40 124.98 2kup s VAL 13 Ca 0.57 0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 59.68 2kup s VAL 13 Cb -0.14 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2kup s VAL 13 CO 0.29 0.08 1.05 -2.16 -3.33 0.00 0.00 175.10 171.03 2kup s PRO 14 N 2.09 3.24 0.54 1.54 0.04 -1.26 -4.96 135.00 136.22 2kup s PRO 14 Ca -0.03 1.10 0.36 0.00 0.04 0.00 0.00 61.00 62.47 2kup s PRO 14 Cb -0.11 -2.03 1.90 0.00 0.04 0.00 0.00 34.50 34.30 2kup s PRO 14 CO -0.11 -0.87 2.10 -0.44 0.04 0.00 0.00 177.00 177.72 2kup h ASP 15 N 0.08 0.00 -0.16 6.66 5.19 -2.00 -2.99 116.42 123.21 2kup h ASP 15 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2kup h ASP 15 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2kup h ASP 15 CO 0.57 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.23 2kup n ASN 16 N -2.80 2.94 -4.54 6.45 0.23 -1.26 -3.65 115.26 112.63 2kup n ASN 16 Ca -0.02 -2.68 -0.43 0.00 -0.53 0.00 0.00 54.58 50.92 2kup n ASN 16 Cb 0.09 -0.36 -0.00 0.00 -2.08 0.00 0.00 39.78 37.43 2kup n ASN 16 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2kup n HIS 17 N -0.59 0.61 0.27 -2.53 -0.00 -1.13 -4.89 115.22 106.95 2kup n HIS 17 Ca 0.14 0.65 0.12 0.00 0.46 0.00 0.00 57.72 59.10 2kup n HIS 17 Cb 0.62 -2.15 0.57 0.00 -0.12 0.00 0.00 29.99 28.91 2kup n HIS 17 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kup h PRO 18 N 1.44 0.00 0.00 1.57 0.13 -1.97 -3.19 132.00 129.98 2kup h PRO 18 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kup h PRO 18 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2kup h PRO 18 CO 0.57 0.00 -0.80 0.25 -0.23 0.00 0.00 178.00 177.79 2kup n THR 19 N -2.30 0.00 -3.57 1.56 -2.24 -1.26 -4.98 114.28 101.49 2kup n THR 19 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2kup n THR 19 Cb 0.12 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 2kup n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kup s LYS 20 N -1.70 3.77 -0.30 -0.78 3.01 -1.20 -2.62 119.74 119.92 2kup s LYS 20 Ca 0.00 -0.45 -0.02 0.00 -1.01 0.00 0.00 55.97 54.49 2kup s LYS 20 Cb 0.00 -3.71 0.05 0.00 -1.01 0.00 0.00 37.83 33.16 2kup s LYS 20 CO 0.00 -0.28 -0.00 -0.06 0.51 0.00 0.00 175.35 175.52 2kup s PHE 21 N 1.74 3.24 0.30 3.18 0.40 0.20 -3.21 117.98 123.83 2kup s PHE 21 Ca 0.07 -1.81 -0.29 0.00 -0.60 0.00 0.00 56.93 54.29 2kup s PHE 21 Cb -0.17 -2.11 -0.10 0.00 0.51 0.00 0.00 43.02 41.16 2kup s PHE 21 CO 0.11 -0.79 1.19 0.15 0.70 0.00 0.00 175.22 176.57 2kup s LYS 22 N 1.27 4.52 0.14 0.44 1.02 -1.24 -0.67 119.74 125.22 2kup s LYS 22 Ca -0.05 1.98 -0.07 0.00 0.02 0.00 0.00 55.97 57.85 2kup s LYS 22 Cb -0.19 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 2kup s LYS 22 CO -0.01 0.04 0.22 0.14 -0.92 0.00 0.00 175.35 174.81 2kup s VAL 23 N -1.11 0.09 -0.06 3.17 -7.23 -0.15 -4.83 120.40 110.28 2kup s VAL 23 Ca 0.47 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2kup s VAL 23 Cb -0.35 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2kup s VAL 23 CO 0.46 -0.39 0.01 -0.89 -0.31 0.00 0.00 175.10 173.98 2kup s THR 24 N -3.97 0.28 0.28 5.32 2.01 -0.65 -0.97 115.64 117.94 2kup s THR 24 Ca 0.17 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 2kup s THR 24 Cb 0.04 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 72.00 2kup s THR 24 CO -0.01 0.24 1.34 0.21 -0.69 0.00 0.00 174.62 175.70 2kup s ASN 25 N 1.98 6.78 0.12 3.53 3.04 -0.15 -0.32 114.94 129.91 2kup s ASN 25 Ca 0.04 2.61 0.04 0.00 0.04 0.00 0.00 52.86 55.60 2kup s ASN 25 Cb -0.12 -2.63 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 2kup s ASN 25 CO -0.05 -0.56 -0.11 0.68 -3.04 0.00 0.00 177.10 174.02 2kup s VAL 26 N -0.58 1.08 0.00 -5.21 -7.23 -0.43 -1.49 120.40 106.55 2kup s VAL 26 Ca 0.53 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2kup s VAL 26 Cb -0.39 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2kup s VAL 26 CO 0.47 -0.59 0.00 -0.90 -0.31 0.00 0.00 175.10 173.77 2kup n ASP 27 N 0.31 0.00 0.11 4.85 5.75 -1.09 -4.47 116.55 122.01 2kup n ASP 27 Ca -0.14 -0.75 0.03 0.00 -0.01 0.00 0.00 54.79 53.92 2kup n ASP 27 Cb 0.58 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.09 2kup n ASP 27 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2kup h ASP 28 N 0.00 0.24 1.15 -1.12 3.04 -2.00 -2.39 116.42 115.34 2kup h ASP 28 Ca 0.00 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2kup h ASP 28 Cb 0.00 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.23 2kup h ASP 28 CO 0.00 0.34 0.00 -0.62 -2.04 0.00 0.00 179.24 176.92 2kup n GLU 29 N -4.33 0.08 -1.03 4.15 -0.58 -1.26 -4.94 120.64 112.73 2kup n GLU 29 Ca -0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.80 2kup n GLU 29 Cb 0.22 -1.60 -0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2kup n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kup n GLY 30 N 1.42 0.48 3.82 0.62 0.00 -0.90 -5.06 105.19 105.57 2kup n GLY 30 Ca 0.06 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 2kup n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kup s VAL 31 N -2.02 4.37 -0.14 1.61 -7.23 -1.26 -4.78 120.40 110.95 2kup s VAL 31 Ca 0.00 1.44 -0.22 0.00 -1.81 0.00 0.00 61.98 61.38 2kup s VAL 31 Cb 0.00 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 2kup s VAL 31 CO 0.00 -0.36 0.68 -1.61 -0.31 0.00 0.00 175.10 173.50 2kup s GLU 32 N -3.28 4.32 -0.15 4.82 2.02 -1.26 -2.68 118.70 122.49 2kup s GLU 32 Ca 0.62 0.77 -0.02 0.00 0.02 0.00 0.00 54.97 56.36 2kup s GLU 32 Cb -0.10 -3.52 -0.08 0.00 0.10 0.00 0.00 34.13 30.53 2kup s GLU 32 CO 0.15 -0.11 -0.15 1.28 0.02 0.00 0.00 175.26 176.45 2kup n LEU 33 N 4.50 2.36 -3.60 1.80 4.77 -0.55 -5.03 117.00 121.24 2kup n LEU 33 Ca -0.01 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2kup n LEU 33 Cb 0.50 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2kup n LEU 33 CO 0.46 0.60 0.70 -0.83 -1.33 0.00 0.00 177.39 176.99 2kup s GLY 34 N -5.34 -0.27 0.33 -0.72 0.00 -1.24 -5.02 107.32 95.05 2kup s GLY 34 Ca -0.20 2.25 -0.19 0.00 0.00 0.00 0.00 44.72 46.59 2kup s GLY 34 CO 0.31 1.44 0.81 -1.35 0.00 0.00 0.00 173.10 174.30 2kup s SER 35 N -0.41 6.93 0.25 1.64 1.04 -1.26 -0.98 113.70 120.91 2kup s SER 35 Ca -0.00 1.46 -0.14 0.00 0.48 0.00 0.00 55.95 57.75 2kup s SER 35 Cb -0.03 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.65 2kup s SER 35 CO -0.01 -0.18 0.52 -0.83 0.98 0.00 0.00 173.24 173.72 2kup s GLY 36 N -2.05 0.45 -0.19 7.32 0.00 -0.14 -4.60 107.32 108.11 2kup s GLY 36 Ca 0.53 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2kup s GLY 36 CO 0.18 -0.55 -0.18 0.14 0.00 0.00 0.00 173.10 172.69 2kup s VAL 37 N -3.97 2.22 -0.05 1.40 1.01 0.38 -0.97 120.40 120.41 2kup s VAL 37 Ca 0.21 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 2kup s VAL 37 Cb -0.02 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2kup s VAL 37 CO 0.09 0.51 0.50 -0.32 0.00 0.00 0.00 175.10 175.89 2kup s MET 38 N 1.31 4.24 -0.12 2.72 1.75 0.15 -0.88 119.30 128.47 2kup s MET 38 Ca 0.05 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 55.04 2kup s MET 38 Cb -0.13 -3.35 0.02 0.00 2.84 0.00 0.00 34.83 34.20 2kup s MET 38 CO -0.12 0.36 -0.14 -2.00 -0.65 0.00 0.00 175.02 172.46 2kup s GLU 39 N -0.06 2.18 -0.17 4.11 2.12 0.39 -0.62 118.70 126.66 2kup s GLU 39 Ca 0.27 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 2kup s GLU 39 Cb -0.17 -1.91 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 2kup s GLU 39 CO 0.13 -0.11 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.17 2kup s LEU 40 N 1.13 2.99 -0.08 2.70 1.02 -1.08 -1.50 118.68 123.86 2kup s LEU 40 Ca -0.04 -0.27 -0.31 0.00 0.02 0.00 0.00 54.13 53.54 2kup s LEU 40 Cb -0.14 -1.72 0.09 0.00 0.02 0.00 0.00 46.19 44.43 2kup s LEU 40 CO -0.04 0.11 0.77 0.28 0.02 0.00 0.00 176.35 177.49 2kup s THR 41 N 0.71 0.00 0.43 5.49 -1.32 -1.25 -4.78 115.64 114.92 2kup s THR 41 Ca -0.03 0.00 0.36 0.00 -1.21 0.00 0.00 61.69 60.81 2kup s THR 41 Cb -0.15 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.20 2kup s THR 41 CO 0.02 0.00 2.10 1.56 -2.21 0.00 0.00 174.62 176.09 2kup h GLN 42 N 2.89 0.00 -0.27 7.08 1.08 -1.98 -2.31 115.11 121.60 2kup h GLN 42 Ca -0.24 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.82 2kup h GLN 42 Cb 1.15 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2kup h GLN 42 CO 0.36 0.00 -0.35 0.77 -0.95 0.00 0.00 178.83 178.66 2kup h SER 43 N 0.00 0.78 0.00 1.46 0.02 -1.97 -3.50 113.55 110.34 2kup h SER 43 Ca 0.00 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2kup h SER 43 Cb 0.10 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2kup h SER 43 CO 0.00 1.12 0.00 -1.84 -1.14 0.00 0.00 176.83 174.97 2kup n GLU 44 N -4.22 0.00 -2.87 3.45 0.28 -0.87 -4.77 120.64 111.64 2kup n GLU 44 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.56 2kup n GLU 44 Cb 0.51 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.32 2kup n GLU 44 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kup s LEU 45 N 0.00 4.60 -0.01 -1.84 1.43 -0.50 -3.76 118.68 118.61 2kup s LEU 45 Ca 0.00 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2kup s LEU 45 Cb 0.00 -3.44 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 2kup s LEU 45 CO 0.00 0.16 -0.07 -0.69 0.23 0.00 0.00 176.35 175.99 2kup s VAL 46 N -1.03 0.54 -0.13 -1.59 1.01 -0.56 -1.39 120.40 117.26 2kup s VAL 46 Ca 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2kup s VAL 46 Cb -0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2kup s VAL 46 CO 0.29 0.16 -0.12 -0.76 0.00 0.00 0.00 175.10 174.67 2kup s LEU 47 N -0.02 2.76 -0.20 3.92 1.43 0.10 -0.46 118.68 126.21 2kup s LEU 47 Ca 0.01 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2kup s LEU 47 Cb -0.04 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2kup s LEU 47 CO -0.00 0.18 -0.05 -1.00 0.23 0.00 0.00 176.35 175.71 2kup s HIS 48 N 0.27 2.95 -0.21 0.29 3.76 -0.06 -0.47 115.29 121.82 2kup s HIS 48 Ca -0.09 -0.81 -0.10 0.00 -0.15 0.00 0.00 55.06 53.91 2kup s HIS 48 Cb -0.15 -2.07 0.08 0.00 1.11 0.00 0.00 32.58 31.55 2kup s HIS 48 CO 0.05 -0.45 0.50 -0.48 -0.85 0.00 0.00 174.74 173.51 2kup s LEU 49 N 1.23 -0.49 0.22 0.89 2.34 -1.26 -0.47 118.68 121.15 2kup s LEU 49 Ca 0.03 1.12 0.24 0.00 0.06 0.00 0.00 54.13 55.57 2kup s LEU 49 Cb -0.14 1.67 0.92 0.00 -0.56 0.00 0.00 46.19 48.08 2kup s LEU 49 CO -0.01 -0.21 1.73 0.00 -1.06 0.00 0.00 176.35 176.79 2kup n HIS 50 N 4.59 0.78 0.23 3.48 1.44 -1.26 -3.01 115.22 121.48 2kup n HIS 50 Ca -0.19 0.28 0.09 0.00 -2.01 0.00 0.00 57.72 55.89 2kup n HIS 50 Cb 0.55 -0.95 0.57 0.00 0.12 0.00 0.00 29.99 30.27 2kup n HIS 50 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kup h ARG 51 N 0.00 0.00 0.00 -1.40 2.47 -1.96 -3.43 114.38 110.06 2kup h ARG 51 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kup h ARG 51 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2kup h ARG 51 CO 0.00 0.21 0.00 0.54 0.56 0.00 0.00 179.97 181.28 2kup n ARG 52 N -3.71 0.00 -3.58 0.04 3.00 -1.24 -5.18 116.66 105.99 2kup n ARG 52 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.78 2kup n ARG 52 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.77 2kup n ARG 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2kup s GLU 53 N -0.76 0.58 0.47 5.56 -1.05 -1.16 -5.08 118.70 117.24 2kup s GLU 53 Ca 0.00 -0.24 -0.21 0.00 -0.15 0.00 0.00 54.97 54.37 2kup s GLU 53 Cb 0.00 0.25 -0.08 0.00 -0.44 0.00 0.00 34.13 33.85 2kup s GLU 53 CO 0.00 -0.26 1.05 0.00 0.95 0.00 0.00 175.26 177.00 2kup s ALA 54 N -2.75 2.92 -0.01 -0.84 0.00 -1.26 -4.26 121.76 115.56 2kup s ALA 54 Ca 0.09 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.70 2kup s ALA 54 Cb -0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.86 2kup s ALA 54 CO -0.06 -0.31 -0.02 0.08 0.00 0.00 0.00 175.76 175.46 2kup s VAL 55 N -1.89 0.19 0.07 0.00 1.01 0.38 -5.00 120.40 115.17 2kup s VAL 55 Ca 0.65 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.66 2kup s VAL 55 Cb -0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2kup s VAL 55 CO 0.22 0.08 -0.20 -0.13 0.00 0.00 0.00 175.10 175.07 2kup s ARG 56 N 0.26 1.88 -0.07 2.72 0.52 -1.26 -0.72 118.95 122.29 2kup s ARG 56 Ca -0.02 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.07 2kup s ARG 56 Cb -0.05 -2.11 0.04 0.00 0.52 0.00 0.00 34.95 33.36 2kup s ARG 56 CO -0.01 0.51 0.13 -1.58 0.02 0.00 0.00 175.30 174.38 2kup s TRP 57 N -0.98 -0.12 0.53 -0.53 0.51 -0.49 -4.39 118.94 113.48 2kup s TRP 57 Ca 0.15 0.50 -0.20 0.00 -2.12 0.00 0.00 56.10 54.44 2kup s TRP 57 Cb -0.10 -0.29 -0.06 0.00 -0.81 0.00 0.00 33.47 32.20 2kup s TRP 57 CO 0.06 -0.23 1.11 -1.25 -0.51 0.00 0.00 176.95 176.13 2kup s PRO 58 N 2.09 3.45 0.59 4.98 0.04 -1.26 -1.41 135.00 143.48 2kup s PRO 58 Ca 0.02 1.56 0.39 0.00 0.04 0.00 0.00 61.00 63.01 2kup s PRO 58 Cb -0.12 -2.02 1.98 0.00 0.04 0.00 0.00 34.50 34.37 2kup s PRO 58 CO -0.05 -0.76 2.18 1.88 0.04 0.00 0.00 177.00 180.29 2kup h TYR 59 N 1.28 0.00 -0.30 0.56 0.05 -1.95 -1.98 116.97 114.63 2kup h TYR 59 Ca -0.50 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.24 2kup h TYR 59 Cb 1.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.98 2kup h TYR 59 CO 0.52 0.00 0.02 -0.07 -1.05 0.00 0.00 178.16 177.58 2kup h LEU 60 N 0.00 0.41 -0.03 3.88 3.38 -1.99 -3.14 115.31 117.82 2kup h LEU 60 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kup h LEU 60 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kup h LEU 60 CO 0.00 0.46 -0.19 0.00 0.09 0.00 0.00 178.44 178.81 2kup n LEU 62 N -1.44 6.15 -0.24 0.00 4.77 -1.19 -4.30 117.00 120.75 2kup n LEU 62 Ca 0.07 -4.60 -0.07 0.00 -0.03 0.00 0.00 56.01 51.38 2kup n LEU 62 Cb 0.33 -1.52 0.04 0.00 -2.33 0.00 0.00 43.42 39.94 2kup n LEU 62 CO 0.29 1.16 0.97 -0.09 -1.33 0.00 0.00 177.39 178.39 2kup h ARG 63 N 6.22 1.03 -4.05 3.23 2.43 -1.83 -3.44 114.38 117.97 2kup h ARG 63 Ca 0.36 -0.22 -0.42 0.00 -0.81 0.00 0.00 59.98 58.90 2kup h ARG 63 Cb 0.71 -0.15 -0.34 0.00 -0.42 0.00 0.00 29.97 29.78 2kup h ARG 63 CO 1.48 0.90 -0.77 0.50 -1.51 0.00 0.00 179.97 180.56 2kup s ARG 64 N -5.42 0.88 -0.15 0.20 3.52 -1.26 -5.07 118.95 111.65 2kup s ARG 64 Ca -0.12 -0.12 -0.17 0.00 -0.13 0.00 0.00 55.73 55.18 2kup s ARG 64 Cb 0.14 -0.87 0.04 0.00 -1.56 0.00 0.00 34.95 32.70 2kup s ARG 64 CO 0.82 -0.07 0.47 1.52 -0.81 0.00 0.00 175.30 177.22 2kup s TYR 65 N 0.90 -0.49 0.18 5.12 -0.85 -1.26 -0.90 117.35 120.05 2kup s TYR 65 Ca -0.11 1.15 -0.22 0.00 -0.52 0.00 0.00 57.07 57.36 2kup s TYR 65 Cb -0.14 0.18 0.08 0.00 0.38 0.00 0.00 41.96 42.45 2kup s TYR 65 CO 0.00 -0.28 1.05 0.20 -1.52 0.00 0.00 175.55 175.00 2kup s GLY 66 N -0.01 0.12 0.05 5.49 0.00 -0.68 -5.02 107.32 107.28 2kup s GLY 66 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 2kup s GLY 66 CO 0.02 2.75 0.05 -2.52 0.00 0.00 0.00 173.10 173.39 2kup s TYR 67 N -2.11 0.34 0.12 1.90 1.13 -1.26 -1.89 117.35 115.58 2kup s TYR 67 Ca 0.23 -0.77 -0.01 0.00 -1.41 0.00 0.00 57.07 55.11 2kup s TYR 67 Cb -0.03 -0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 2kup s TYR 67 CO 0.05 -0.39 0.16 -3.47 -2.51 0.00 0.00 175.55 169.40 2kup n ASP 68 N 0.40 -0.45 -4.59 -0.18 -0.08 0.49 -5.00 116.55 107.14 2kup n ASP 68 Ca -0.17 -1.62 -0.44 0.00 -1.51 0.00 0.00 54.79 51.06 2kup n ASP 68 Cb 0.60 0.85 -0.03 0.00 2.34 0.00 0.00 41.12 44.87 2kup n ASP 68 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2kup n SER 69 N -1.96 3.23 -0.82 1.67 3.41 -1.26 -2.19 113.62 115.70 2kup n SER 69 Ca 0.00 0.25 -0.11 0.00 -0.26 0.00 0.00 58.87 58.75 2kup n SER 69 Cb 0.19 -1.54 -0.05 0.00 -0.26 0.00 0.00 64.21 62.56 2kup n SER 69 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kup n ASN 70 N 11.39 -5.51 -3.92 4.04 5.15 -1.26 -4.98 115.26 120.17 2kup n ASN 70 Ca 0.30 0.27 -0.21 0.00 -0.60 0.00 0.00 54.58 54.34 2kup n ASN 70 Cb 0.43 -3.95 -0.16 0.00 -0.53 0.00 0.00 39.78 35.57 2kup n ASN 70 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kup s LEU 71 N -2.44 1.38 0.01 1.20 1.98 -0.93 -1.17 118.68 118.71 2kup s LEU 71 Ca 0.00 -0.17 0.07 0.00 -2.89 0.00 0.00 54.13 51.14 2kup s LEU 71 Cb 0.00 -0.54 -0.02 0.00 0.66 0.00 0.00 46.19 46.29 2kup s LEU 71 CO 0.00 -0.04 -0.21 0.12 -1.89 0.00 0.00 176.35 174.33 2kup s PHE 72 N 0.90 1.86 0.08 5.38 5.36 -0.09 -0.38 117.98 131.08 2kup s PHE 72 Ca -0.11 -0.36 -0.18 0.00 -0.96 0.00 0.00 56.93 55.32 2kup s PHE 72 Cb -0.15 -1.16 0.04 0.00 -0.34 0.00 0.00 43.02 41.41 2kup s PHE 72 CO 0.01 0.02 0.42 0.45 -1.46 0.00 0.00 175.22 174.66 2kup s SER 73 N -0.79 -0.29 0.05 6.13 0.15 -0.79 -0.44 113.70 117.73 2kup s SER 73 Ca 0.08 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 2kup s SER 73 Cb -0.08 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2kup s SER 73 CO 0.00 -0.76 0.38 0.72 1.20 0.00 0.00 173.24 174.79 2kup s PHE 74 N -3.06 -0.21 0.25 3.44 -0.12 -1.02 -1.69 117.98 115.57 2kup s PHE 74 Ca -0.02 0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 56.94 2kup s PHE 74 Cb 0.00 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.53 2kup s PHE 74 CO -0.07 -0.57 0.49 -1.21 -0.05 0.00 0.00 175.22 173.81 2kup s GLU 75 N -2.67 3.59 0.12 1.99 2.02 -0.08 -1.98 118.70 121.70 2kup s GLU 75 Ca -0.04 -0.12 -0.10 0.00 0.02 0.00 0.00 54.97 54.73 2kup s GLU 75 Cb -0.00 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2kup s GLU 75 CO -0.04 0.30 0.26 0.45 0.02 0.00 0.00 175.26 176.25 2kup s SER 76 N -3.11 0.03 0.48 -0.19 0.15 -0.72 -4.45 113.70 105.89 2kup s SER 76 Ca 0.42 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.47 2kup s SER 76 Cb -0.11 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2kup s SER 76 CO 0.29 -0.81 0.45 -0.83 1.20 0.00 0.00 173.24 173.55 2kup s GLY 77 N -2.89 2.14 0.53 9.45 0.00 -1.26 -2.79 107.32 112.50 2kup s GLY 77 Ca 0.09 -1.75 0.25 0.00 0.00 0.00 0.00 44.72 43.31 2kup s GLY 77 CO -0.07 -1.76 2.14 0.07 0.00 0.00 0.00 173.10 173.48 2kup h ARG 78 N 0.81 0.00 0.00 2.90 -0.00 -1.95 -3.08 114.38 113.06 2kup h ARG 78 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 2kup h ARG 78 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 2kup h ARG 78 CO 0.54 0.07 -0.09 0.07 -0.00 0.00 0.00 179.97 180.57 2kup h ARG 79 N 0.00 0.00 0.00 0.08 0.11 -1.96 -3.41 114.38 109.20 2kup h ARG 79 Ca -0.00 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.71 2kup h ARG 79 Cb 0.17 0.00 0.15 0.00 1.11 0.00 0.00 29.97 31.40 2kup h ARG 79 CO 0.01 0.00 0.34 0.00 0.10 0.00 0.00 179.97 180.42 2kup h GLN 81 N 0.00 0.74 0.00 0.00 4.15 -1.90 -3.20 115.11 114.90 2kup h GLN 81 Ca -0.37 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 58.86 2kup h GLN 81 Cb 1.03 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 2kup h GLN 81 CO 0.26 0.58 -2.06 0.25 -1.93 0.00 0.00 178.83 175.93 2kup n THR 82 N -4.38 0.43 -3.65 2.39 -2.24 -1.26 -5.11 114.28 100.46 2kup n THR 82 Ca 0.05 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2kup n THR 82 Cb 0.12 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2kup n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kup n GLY 83 N 1.39 -1.85 3.71 3.38 0.00 -1.21 -4.91 105.19 105.70 2kup n GLY 83 Ca -0.12 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2kup n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kup n GLN 84 N 0.00 2.55 0.00 1.61 6.02 -1.19 -4.20 117.38 122.16 2kup n GLN 84 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2kup n GLN 84 Cb 0.00 -2.70 0.00 0.00 1.02 0.00 0.00 30.24 28.56 2kup n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kup n GLY 85 N 2.98 1.06 3.43 1.08 0.00 -1.12 -4.99 105.19 107.64 2kup n GLY 85 Ca 0.13 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2kup n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kup s ILE 86 N -2.00 2.92 -0.07 -0.61 1.01 -1.26 -1.75 121.20 119.44 2kup s ILE 86 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2kup s ILE 86 Cb 0.00 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.34 2kup s ILE 86 CO 0.00 0.58 -0.07 -0.36 0.00 0.00 0.00 174.94 175.08 2kup s PHE 87 N -0.49 1.14 0.04 3.97 0.08 -0.84 -5.01 117.98 116.87 2kup s PHE 87 Ca 0.06 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 56.76 2kup s PHE 87 Cb -0.12 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2kup s PHE 87 CO 0.02 -0.30 -0.20 0.00 -0.10 0.00 0.00 175.22 174.64 2kup s ALA 88 N 1.09 1.68 -0.04 5.36 0.00 -1.26 -2.42 121.76 126.16 2kup s ALA 88 Ca -0.08 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2kup s ALA 88 Cb -0.14 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2kup s ALA 88 CO -0.01 0.37 0.09 -0.06 0.00 0.00 0.00 175.76 176.15 2kup s PHE 89 N -0.80 -0.07 0.14 0.00 0.40 0.42 -1.31 117.98 116.76 2kup s PHE 89 Ca 0.07 0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.41 2kup s PHE 89 Cb -0.09 -0.17 -0.07 0.00 0.51 0.00 0.00 43.02 43.21 2kup s PHE 89 CO 0.02 -0.13 1.06 0.15 0.70 0.00 0.00 175.22 177.01 2kup s LYS 90 N 1.17 4.61 -0.29 0.44 1.02 0.56 -0.92 119.74 126.33 2kup s LYS 90 Ca -0.09 1.63 -0.23 0.00 0.02 0.00 0.00 55.97 57.31 2kup s LYS 90 Cb -0.12 -3.32 0.17 0.00 -0.52 0.00 0.00 37.83 34.04 2kup s LYS 90 CO -0.05 0.09 1.24 0.00 -0.92 0.00 0.00 175.35 175.72 2kup n SER 92 N 2.24 0.00 -0.72 0.00 2.88 -1.26 -2.58 113.62 114.18 2kup n SER 92 Ca -0.13 -0.23 0.06 0.00 -1.33 0.00 0.00 58.87 57.24 2kup n SER 92 Cb 0.57 -0.19 0.19 0.00 -0.75 0.00 0.00 64.21 64.02 2kup n SER 92 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kup n ARG 93 N -1.19 2.90 -0.29 -1.46 1.85 -1.26 -4.79 116.66 112.41 2kup n ARG 93 Ca 0.12 -2.31 0.11 0.00 -1.00 0.00 0.00 57.85 54.77 2kup n ARG 93 Cb 0.13 -1.46 0.28 0.00 -1.05 0.00 0.00 32.46 30.36 2kup n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kup h ALA 94 N 1.93 1.33 -0.26 2.89 0.00 -1.82 -0.36 119.26 122.97 2kup h ALA 94 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2kup h ALA 94 Cb 0.97 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kup h ALA 94 CO 0.07 -0.32 -0.30 1.49 0.00 0.00 0.00 179.25 180.20 2kup h GLU 95 N 0.40 0.52 -0.04 0.00 4.81 -1.87 -1.49 114.58 116.92 2kup h GLU 95 Ca 0.52 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 2kup h GLU 95 Cb 0.96 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2kup h GLU 95 CO -0.51 0.77 -0.57 0.93 -0.73 0.00 0.00 179.01 178.90 2kup h GLU 96 N 0.45 0.11 -0.29 1.92 4.39 -1.49 0.14 114.58 119.82 2kup h GLU 96 Ca 0.06 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2kup h GLU 96 Cb 0.76 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2kup h GLU 96 CO 0.06 0.65 0.04 0.82 -1.16 0.00 0.00 179.01 179.42 2kup h ILE 97 N 0.09 1.24 -0.50 3.13 2.04 -1.03 -0.75 117.51 121.71 2kup h ILE 97 Ca -0.00 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2kup h ILE 97 Cb 1.04 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2kup h ILE 97 CO 0.08 0.27 0.33 0.15 0.00 0.00 0.00 178.15 178.98 2kup h PHE 98 N 0.31 0.62 -0.61 1.37 3.57 -1.03 0.29 116.94 121.46 2kup h PHE 98 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2kup h PHE 98 Cb 0.36 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2kup h PHE 98 CO 0.03 0.39 0.09 -0.91 -2.23 0.00 0.00 178.31 175.67 2kup h ASN 99 N 0.67 0.98 -0.00 0.41 2.35 -0.69 -2.55 115.58 116.75 2kup h ASN 99 Ca 0.19 -0.26 -0.22 0.00 -0.55 0.00 0.00 56.30 55.45 2kup h ASN 99 Cb -0.06 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.05 2kup h ASN 99 CO -0.05 0.99 -0.83 0.25 -1.65 0.00 0.00 177.43 176.15 2kup h LEU 100 N 0.93 0.81 0.17 1.61 5.85 -0.98 -3.10 115.31 120.60 2kup h LEU 100 Ca 0.19 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 58.36 2kup h LEU 100 Cb 0.44 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2kup h LEU 100 CO 0.01 1.35 -0.32 -0.07 -0.34 0.00 0.00 178.44 179.07 2kup h LEU 101 N 0.44 -0.92 -2.25 2.25 3.38 -0.87 -2.27 115.31 115.07 2kup h LEU 101 Ca -0.06 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kup h LEU 101 Cb 1.45 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 2kup h LEU 101 CO 0.16 -0.42 -0.05 0.06 0.09 0.00 0.00 178.44 178.28 2kup h GLN 102 N -0.58 0.00 -0.35 1.13 3.07 -1.54 0.52 115.11 117.37 2kup h GLN 102 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.61 2kup h GLN 102 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2kup h GLN 102 CO -0.16 0.05 -0.35 0.22 0.09 0.00 0.00 178.83 178.68 2kup h ASP 103 N 0.00 0.91 -0.14 0.06 3.58 -1.35 -2.08 116.42 117.40 2kup h ASP 103 Ca -0.00 -0.47 -0.23 0.00 0.42 0.00 0.00 57.03 56.75 2kup h ASP 103 Cb 0.15 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 40.95 2kup h ASP 103 CO 0.01 1.19 -0.80 -0.07 -2.88 0.00 0.00 179.24 176.69 2kup h LEU 104 N 0.64 0.94 -1.23 2.28 3.38 -0.78 -2.69 115.31 117.84 2kup h LEU 104 Ca 0.05 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 2kup h LEU 104 Cb 0.94 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2kup h LEU 104 CO 0.09 1.43 -0.05 0.24 0.09 0.00 0.00 178.44 180.24 2kup h MET 105 N 0.52 0.46 0.00 1.13 2.86 -0.97 -2.90 114.93 116.02 2kup h MET 105 Ca -0.06 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2kup h MET 105 Cb 1.44 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2kup h MET 105 CO 0.16 0.53 -0.67 0.00 1.06 0.00 0.00 176.91 177.99 2kup n GLN 106 N -4.26 0.18 0.08 1.72 10.64 -0.78 -4.43 117.38 120.52 2kup n GLN 106 Ca 0.01 0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 55.08 2kup n GLN 106 Cb 0.26 -1.59 -0.08 0.00 -0.86 0.00 0.00 30.24 27.97 2kup n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kup s ASN 108 N -5.16 -0.28 -0.00 0.00 -0.87 -1.26 -5.05 114.94 102.32 2kup s ASN 108 Ca -0.14 0.99 0.07 0.00 -1.57 0.00 0.00 52.86 52.21 2kup s ASN 108 Cb 0.05 1.39 0.21 0.00 -0.02 0.00 0.00 41.25 42.87 2kup s ASN 108 CO 0.65 -0.23 1.17 -0.24 -2.57 0.00 0.00 177.10 175.88 2kup n SER 109 N 5.39 2.62 -4.09 -1.22 2.88 -1.26 -4.80 113.62 113.14 2kup n SER 109 Ca -0.08 -2.02 -0.43 0.00 -1.33 0.00 0.00 58.87 55.01 2kup n SER 109 Cb 0.49 -0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.80 2kup n SER 109 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kup n ILE 110 N 0.16 4.74 -4.28 2.46 -0.00 -1.26 -4.77 119.36 116.41 2kup n ILE 110 Ca 0.08 -5.20 -0.34 0.00 -0.00 0.00 0.00 62.75 57.29 2kup n ILE 110 Cb 0.37 -2.31 -0.06 0.00 -0.00 0.00 0.00 39.64 37.64 2kup n ILE 110 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2kup n ASN 111 N 2.98 -0.88 -1.36 4.38 6.94 -1.26 -4.83 115.26 121.23 2kup n ASN 111 Ca 0.31 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 2kup n ASN 111 Cb 0.37 -2.15 0.00 0.00 -2.36 0.00 0.00 39.78 35.63 2kup n ASN 111 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2kup n VAL 112 N -4.38 1.25 -1.79 3.53 0.24 -1.26 -3.98 118.33 111.94 2kup n VAL 112 Ca -0.13 -0.23 0.05 0.00 -2.04 0.00 0.00 64.34 61.99 2kup n VAL 112 Cb 0.59 -1.19 0.11 0.00 -1.47 0.00 0.00 33.84 31.89 2kup n VAL 112 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2kup n MET 113 N 1.21 0.87 -1.06 7.34 2.81 -1.26 -4.86 117.12 122.17 2kup n MET 113 Ca 0.00 -2.47 -0.23 0.00 -1.81 0.00 0.00 57.70 53.19 2kup n MET 113 Cb 0.39 -1.00 0.08 0.00 -0.71 0.00 0.00 33.22 31.99 2kup n MET 113 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2kup n GLU 114 N -0.59 2.16 -4.31 0.03 1.02 -1.26 -4.93 120.64 112.76 2kup n GLU 114 Ca 0.12 -2.39 -0.21 0.00 -0.02 0.00 0.00 57.16 54.65 2kup n GLU 114 Cb 0.80 -1.94 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 2kup n GLU 114 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kup s GLU 115 N -2.74 1.02 0.81 3.49 8.01 -1.26 -5.16 118.70 122.87 2kup s GLU 115 Ca 0.47 -0.98 -0.11 0.00 0.01 0.00 0.00 54.97 54.36 2kup s GLU 115 Cb 0.37 -1.13 0.07 0.00 -4.31 0.00 0.00 34.13 29.14 2kup s GLU 115 CO 0.02 0.27 1.09 -1.25 0.01 0.00 0.00 175.26 175.40 2kup s PRO 116 N -1.59 2.01 -0.19 0.39 0.04 -1.26 -5.06 135.00 129.34 2kup s PRO 116 Ca 0.03 0.88 -0.08 0.00 0.04 0.00 0.00 61.00 61.86 2kup s PRO 116 Cb -0.09 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2kup s PRO 116 CO 0.03 -1.73 0.08 0.08 0.04 0.00 0.00 177.00 175.50 2kup s VAL 117 N -3.01 4.95 0.11 -0.36 1.01 -1.26 -5.11 120.40 116.73 2kup s VAL 117 Ca 0.61 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.70 2kup s VAL 117 Cb -0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2kup s VAL 117 CO 0.56 0.44 -0.21 -0.63 0.00 0.00 0.00 175.10 175.26 2kup s ILE 118 N 0.46 1.75 0.00 2.22 1.09 -1.26 -5.04 121.20 120.41 2kup s ILE 118 Ca 0.05 -1.58 -0.01 0.00 -1.10 0.00 0.00 60.65 58.01 2kup s ILE 118 Cb -0.12 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.64 2kup s ILE 118 CO 0.00 -0.07 1.65 2.30 -0.10 0.00 0.00 174.94 178.72 2kup n ILE 119 N 1.03 1.51 -1.64 2.92 -5.35 -1.26 -4.94 119.36 111.64 2kup n ILE 119 Ca -0.19 -0.49 -0.49 0.00 -0.27 0.00 0.00 62.75 61.30 2kup n ILE 119 Cb 0.54 -1.45 -0.05 0.00 -1.74 0.00 0.00 39.64 36.93 2kup n ILE 119 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2kup n THR 120 N 1.88 0.47 -0.05 7.28 -1.04 -1.26 -4.89 114.28 116.67 2kup n THR 120 Ca 0.07 -0.16 0.09 0.00 -2.04 0.00 0.00 64.05 62.01 2kup n THR 120 Cb 0.40 -1.83 0.22 0.00 -1.82 0.00 0.00 70.33 67.30 2kup n THR 120 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2kup n ARG 121 N 7.01 2.51 -1.86 -2.82 -4.01 -1.26 -4.98 116.66 111.26 2kup n ARG 121 Ca 0.27 -2.25 -0.42 0.00 -1.04 0.00 0.00 57.85 54.41 2kup n ARG 121 Cb 0.28 -1.43 -0.03 0.00 -3.04 0.00 0.00 32.46 28.24 2kup n ARG 121 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 2kup s ASN 122 N -1.13 6.53 -0.34 2.89 3.84 -1.26 -4.98 114.94 120.49 2kup s ASN 122 Ca 0.35 2.63 0.05 0.00 0.21 0.00 0.00 52.86 56.10 2kup s ASN 122 Cb 0.19 -2.58 0.19 0.00 -0.55 0.00 0.00 41.25 38.51 2kup s ASN 122 CO 0.26 -0.91 0.67 -0.55 -2.79 0.00 0.00 177.10 173.78 2kup s SER 123 N 1.99 -1.43 0.08 -4.21 0.15 -1.26 -5.15 113.70 103.87 2kup s SER 123 Ca 0.75 -0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.84 2kup s SER 123 Cb -0.43 1.85 -0.07 0.00 -1.71 0.00 0.00 66.02 65.66 2kup s SER 123 CO 0.33 -0.21 1.33 -1.00 1.20 0.00 0.00 173.24 174.89 2kup s HIS 124 N 2.38 3.25 0.81 3.44 3.76 -1.26 -5.03 115.29 122.64 2kup s HIS 124 Ca 0.14 1.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.98 2kup s HIS 124 Cb -0.06 -3.60 0.08 0.00 1.11 0.00 0.00 32.58 30.11 2kup s HIS 124 CO -0.17 -2.06 1.09 -1.25 -0.85 0.00 0.00 174.74 171.49 2kup s PRO 125 N 1.28 1.95 -0.07 8.40 0.04 -1.26 -5.09 135.00 140.25 2kup s PRO 125 Ca 0.63 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 2kup s PRO 125 Cb -0.34 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.35 2kup s PRO 125 CO 0.29 -1.77 0.38 0.00 0.04 0.00 0.00 177.00 175.94 2kup s ALA 126 N -3.01 -0.95 0.66 8.56 0.00 -1.26 -5.17 121.76 120.59 2kup s ALA 126 Ca 0.61 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 2kup s ALA 126 Cb -0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2kup s ALA 126 CO 0.56 -0.24 1.12 -1.83 0.00 0.00 0.00 175.76 175.36 2kup s GLU 127 N -0.76 2.78 0.16 0.00 4.04 -1.26 -4.86 118.70 118.79 2kup s GLU 127 Ca -0.08 1.45 0.02 0.00 0.04 0.00 0.00 54.97 56.39 2kup s GLU 127 Cb -0.04 -1.94 -0.04 0.00 0.02 0.00 0.00 34.13 32.12 2kup s GLU 127 CO 0.03 -1.28 -0.00 -0.48 -1.84 0.00 0.00 175.26 171.69 2kup s LEU 128 N -4.81 2.14 -0.11 1.83 0.05 -1.26 -5.06 118.68 111.47 2kup s LEU 128 Ca 0.68 -1.15 0.02 0.00 0.05 0.00 0.00 54.13 53.73 2kup s LEU 128 Cb -0.22 -0.02 -0.01 0.00 -2.05 0.00 0.00 46.19 43.89 2kup s LEU 128 CO 0.41 -0.57 -0.17 -1.81 -0.55 0.00 0.00 176.35 173.66 2kup s ASP 129 N -3.14 3.70 0.30 1.48 1.01 -1.26 -5.13 116.67 113.62 2kup s ASP 129 Ca 0.22 -0.39 -0.23 0.00 0.71 0.00 0.00 52.55 52.86 2kup s ASP 129 Cb 0.06 -1.43 -0.09 0.00 1.01 0.00 0.00 42.92 42.47 2kup s ASP 129 CO 0.02 0.19 0.86 -1.48 0.21 0.00 0.00 175.17 174.97 2kup s LEU 130 N 0.21 4.28 0.76 1.23 0.05 -1.26 -5.08 118.68 118.87 2kup s LEU 130 Ca -0.11 1.64 -0.12 0.00 0.05 0.00 0.00 54.13 55.60 2kup s LEU 130 Cb -0.16 -3.93 0.05 0.00 -2.05 0.00 0.00 46.19 40.10 2kup s LEU 130 CO 0.06 -0.07 1.11 -2.16 -0.55 0.00 0.00 176.35 174.74 2kup s PRO 131 N -2.20 2.40 0.22 1.48 0.04 -1.26 -5.11 135.00 130.57 2kup s PRO 131 Ca 0.49 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 2kup s PRO 131 Cb -0.16 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2kup s PRO 131 CO 0.21 -1.36 0.24 -0.98 0.04 0.00 0.00 177.00 175.15 2kup s ARG 132 N -5.32 1.34 0.04 4.56 1.70 -1.26 -5.18 118.95 114.83 2kup s ARG 132 Ca 0.60 -1.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.32 2kup s ARG 132 Cb -0.12 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2kup s ARG 132 CO 0.52 -0.48 0.08 0.00 -1.08 0.00 0.00 175.30 174.34 2kup s ALA 133 N -4.06 3.56 0.99 7.88 0.00 -1.26 -5.14 121.76 123.73 2kup s ALA 133 Ca 0.35 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 2kup s ALA 133 Cb 0.05 -1.49 0.22 0.00 0.00 0.00 0.00 23.12 21.90 2kup s ALA 133 CO 0.12 0.73 1.35 -1.25 0.00 0.00 0.00 175.76 176.70 2kup s PRO 134 N -2.11 0.40 -0.04 0.00 0.04 -1.26 -5.12 135.00 126.91 2kup s PRO 134 Ca 0.27 -0.49 0.01 0.00 0.04 0.00 0.00 61.00 60.83 2kup s PRO 134 Cb -0.12 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.61 2kup s PRO 134 CO 0.19 -2.56 -0.05 -0.65 0.04 0.00 0.00 177.00 173.96 2kup s GLN 135 N -5.94 0.76 0.28 4.56 -0.21 -1.26 -5.15 119.66 112.70 2kup s GLN 135 Ca 0.76 -0.12 -0.29 0.00 0.02 0.00 0.00 55.36 55.72 2kup s GLN 135 Cb -0.03 -0.77 -0.10 0.00 1.00 0.00 0.00 33.01 33.12 2kup s GLN 135 CO 0.54 -0.04 1.10 -1.25 -2.12 0.00 0.00 175.29 173.52 2kup s PRO 136 N 0.71 4.63 0.75 2.91 0.04 -1.26 -5.04 135.00 137.74 2kup s PRO 136 Ca -0.09 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 2kup s PRO 136 Cb -0.12 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.27 2kup s PRO 136 CO 0.00 0.20 1.08 -1.25 0.04 0.00 0.00 177.00 177.07 2kup s PRO 137 N -1.43 2.51 -0.17 0.56 0.04 -1.26 -5.10 135.00 130.14 2kup s PRO 137 Ca 0.45 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 2kup s PRO 137 Cb -0.32 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2kup s PRO 137 CO 0.41 -1.34 0.50 0.54 0.04 0.00 0.00 177.00 177.15 2kup s ASN 138 N -3.94 -0.51 0.05 6.66 4.22 -1.26 -5.18 114.94 114.98 2kup s ASN 138 Ca 0.59 0.95 -0.27 0.00 -2.14 0.00 0.00 52.86 52.00 2kup s ASN 138 Cb -0.14 0.97 0.09 0.00 1.28 0.00 0.00 41.25 43.46 2kup s ASN 138 CO 0.54 -0.20 0.81 0.00 -2.04 0.00 0.00 177.10 176.21 2kup s ALA 139 N 0.14 -1.75 0.00 3.54 0.00 -1.26 -5.04 121.76 117.39 2kup s ALA 139 Ca -0.01 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2kup s ALA 139 Cb -0.03 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.65 2kup s ALA 139 CO 0.01 -0.73 1.55 1.47 0.00 0.00 0.00 175.76 178.06 2kup n LEU 140 N -0.29 4.21 0.00 0.00 -0.00 -1.26 -4.86 117.00 114.80 2kup n LEU 140 Ca -0.11 -1.93 0.00 0.00 -0.00 0.00 0.00 56.01 53.97 2kup n LEU 140 Cb 0.63 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2kup n LEU 140 CO 0.11 0.78 0.00 0.61 -0.00 0.00 0.00 177.39 178.89 2kup n GLY 141 N 1.30 0.56 2.57 1.47 0.00 -1.26 -5.07 105.19 104.77 2kup n GLY 141 Ca 0.00 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 2kup n GLY 141 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kup s TYR 142 N -2.68 0.25 -0.22 1.61 1.13 -1.26 -5.10 117.35 111.08 2kup s TYR 142 Ca 0.00 -0.74 -0.05 0.00 -1.41 0.00 0.00 57.07 54.87 2kup s TYR 142 Cb 0.00 -0.84 0.11 0.00 -1.10 0.00 0.00 41.96 40.14 2kup s TYR 142 CO 0.00 -0.78 0.39 0.99 -2.51 0.00 0.00 175.55 173.64 2kup s THR 143 N 2.12 -0.62 0.16 -3.49 2.01 -1.26 -5.16 115.64 109.41 2kup s THR 143 Ca 0.08 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 2kup s THR 143 Cb -0.16 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.64 2kup s THR 143 CO -0.32 -0.02 0.43 0.68 -0.69 0.00 0.00 174.62 174.69 2kup s VAL 144 N 2.57 0.05 0.19 3.82 -7.23 -1.26 -5.20 120.40 113.35 2kup s VAL 144 Ca 0.06 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.21 2kup s VAL 144 Cb -0.14 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.37 2kup s VAL 144 CO -0.14 -0.24 0.56 -0.55 -0.31 0.00 0.00 175.10 174.42 2kup s SER 145 N -2.87 -0.34 0.00 4.85 0.15 -1.26 -5.37 113.70 108.86 2kup s SER 145 Ca 0.08 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2kup s SER 145 Cb 0.01 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2kup s SER 145 CO -0.06 -1.05 0.00 -0.24 1.20 0.00 0.00 173.24 173.09