#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kup s SER 2 N 0.00 -0.16 0.10 1.61 0.01 -1.26 -5.17 113.70 108.83 2kup s SER 2 Ca 0.00 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.73 2kup s SER 2 Cb 0.00 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.82 2kup s SER 2 CO 0.00 -0.19 0.34 -0.44 0.41 0.00 0.00 173.24 173.36 2kup s SER 3 N 1.59 -0.15 0.00 2.44 0.01 -1.26 -5.18 113.70 111.16 2kup s SER 3 Ca -0.07 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2kup s SER 3 Cb -0.10 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2kup s SER 3 CO -0.09 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2kup n GLY 4 N -0.05 -1.16 3.12 3.44 0.00 -1.26 -4.92 105.19 104.37 2kup n GLY 4 Ca -0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2kup n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kup s SER 5 N -4.00 -0.23 0.03 1.61 1.04 -1.26 -5.14 113.70 105.75 2kup s SER 5 Ca 0.00 0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.58 2kup s SER 5 Cb 0.00 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.67 2kup s SER 5 CO 0.00 -0.11 0.79 -0.94 0.98 0.00 0.00 173.24 173.96 2kup s SER 6 N -0.02 -0.45 0.00 7.02 1.04 -1.26 -4.90 113.70 115.13 2kup s SER 6 Ca -0.01 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2kup s SER 6 Cb -0.02 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2kup s SER 6 CO 0.01 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2kup n GLY 7 N -0.12 5.52 3.74 7.32 0.00 -1.26 -5.16 105.19 115.22 2kup n GLY 7 Ca -0.12 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 2kup n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kup s LEU 8 N 0.00 2.60 -0.08 0.99 0.05 -1.26 -5.04 118.68 115.93 2kup s LEU 8 Ca 0.00 1.62 0.04 0.00 0.05 0.00 0.00 54.13 55.85 2kup s LEU 8 Cb 0.00 -4.17 -0.00 0.00 -2.05 0.00 0.00 46.19 39.97 2kup s LEU 8 CO 0.00 -2.36 -0.23 0.20 -0.55 0.00 0.00 176.35 173.41 2kup s ASN 9 N -3.43 2.90 -0.13 1.48 0.01 -1.26 -5.03 114.94 109.48 2kup s ASN 9 Ca 0.62 -0.51 0.18 0.00 -0.71 0.00 0.00 52.86 52.44 2kup s ASN 9 Cb -0.17 -1.17 0.29 0.00 0.41 0.00 0.00 41.25 40.61 2kup s ASN 9 CO 0.56 0.17 1.15 0.54 -1.51 0.00 0.00 177.10 178.01 2kup n ARG 10 N 3.39 1.27 -3.50 -0.60 5.12 -1.26 -5.04 116.66 116.04 2kup n ARG 10 Ca -0.19 -2.59 -0.12 0.00 -1.93 0.00 0.00 57.85 53.02 2kup n ARG 10 Cb 0.53 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.31 2kup n ARG 10 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2kup s ASP 11 N -2.87 -0.47 0.00 0.55 1.47 -1.26 -5.08 116.67 109.02 2kup s ASP 11 Ca 0.32 -0.04 0.00 0.00 1.18 0.00 0.00 52.55 54.01 2kup s ASP 11 Cb 0.28 0.55 0.00 0.00 -0.34 0.00 0.00 42.92 43.41 2kup s ASP 11 CO 0.02 -0.90 1.69 -0.24 0.68 0.00 0.00 175.17 176.42 2kup n SER 12 N -0.21 4.59 -3.74 2.11 2.88 -1.26 -4.73 113.62 113.26 2kup n SER 12 Ca -0.17 -2.25 -0.12 0.00 -1.33 0.00 0.00 58.87 54.99 2kup n SER 12 Cb 0.64 -0.94 -0.12 0.00 -0.75 0.00 0.00 64.21 63.04 2kup n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kup s VAL 13 N 0.06 -0.02 0.37 2.46 0.11 -1.26 -5.17 120.40 116.94 2kup s VAL 13 Ca 0.00 0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.94 2kup s VAL 13 Cb 0.00 -0.40 -0.10 0.00 -1.53 0.00 0.00 36.38 34.35 2kup s VAL 13 CO 0.00 0.04 0.87 -2.16 -3.33 0.00 0.00 175.10 170.52 2kup s PRO 14 N 0.88 4.23 0.00 1.54 0.04 -1.26 -4.94 135.00 135.48 2kup s PRO 14 Ca -0.06 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.05 2kup s PRO 14 Cb -0.07 -2.40 0.34 0.00 0.04 0.00 0.00 34.50 32.41 2kup s PRO 14 CO -0.06 0.10 0.74 -0.25 0.04 0.00 0.00 177.00 177.58 2kup n ASP 15 N -0.27 0.00 -0.05 6.66 8.00 -1.26 -2.93 116.55 126.70 2kup n ASP 15 Ca 0.05 -0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.24 2kup n ASP 15 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 2kup n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kup n ASN 16 N -0.87 1.02 -4.66 -2.24 0.23 -1.26 -4.89 115.26 102.60 2kup n ASN 16 Ca 0.04 -1.69 -0.45 0.00 -0.53 0.00 0.00 54.58 51.96 2kup n ASN 16 Cb 0.02 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 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 -0.33 2.01 0.31 -2.53 -0.00 -1.15 -4.90 115.22 108.63 2kup n HIS 17 Ca 0.01 0.49 0.15 0.00 0.46 0.00 0.00 57.72 58.83 2kup n HIS 17 Cb 0.43 -2.42 0.66 0.00 -0.12 0.00 0.00 29.99 28.54 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 3.82 0.00 0.00 1.57 0.13 -1.99 -3.22 132.00 132.30 2kup h PRO 18 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kup h PRO 18 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kup h PRO 18 CO 0.73 0.00 -0.42 0.25 -0.23 0.00 0.00 178.00 178.33 2kup n THR 19 N -2.57 0.00 -3.84 1.56 -2.24 -1.26 -5.02 114.28 100.91 2kup n THR 19 Ca 0.00 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 2kup n THR 19 Cb 0.19 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.16 3.89 -0.27 -0.78 3.01 -1.22 -3.06 119.74 120.15 2kup s LYS 20 Ca 0.00 -0.37 0.02 0.00 -1.01 0.00 0.00 55.97 54.61 2kup s LYS 20 Cb 0.00 -3.35 0.07 0.00 -1.01 0.00 0.00 37.83 33.55 2kup s LYS 20 CO 0.00 0.05 -0.03 -0.06 0.51 0.00 0.00 175.35 175.82 2kup s PHE 21 N 1.00 2.91 0.16 3.18 0.40 0.21 -3.96 117.98 121.89 2kup s PHE 21 Ca 0.05 -2.22 -0.31 0.00 -0.60 0.00 0.00 56.93 53.86 2kup s PHE 21 Cb -0.14 -2.01 -0.08 0.00 0.51 0.00 0.00 43.02 41.29 2kup s PHE 21 CO 0.03 -0.86 1.35 0.15 0.70 0.00 0.00 175.22 176.60 2kup s LYS 22 N 1.21 4.35 0.05 0.44 1.02 -1.26 -0.60 119.74 124.95 2kup s LYS 22 Ca -0.01 2.07 -0.02 0.00 0.02 0.00 0.00 55.97 58.03 2kup s LYS 22 Cb -0.19 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2kup s LYS 22 CO -0.08 -0.34 -0.00 0.14 -0.92 0.00 0.00 175.35 174.14 2kup s VAL 23 N 0.54 0.20 -0.10 3.17 -7.23 0.11 -4.72 120.40 112.37 2kup s VAL 23 Ca 0.60 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2kup s VAL 23 Cb -0.37 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.23 2kup s VAL 23 CO 0.35 -0.91 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.33 2kup s THR 24 N -3.65 0.53 0.16 5.32 2.01 -1.06 -1.17 115.64 117.78 2kup s THR 24 Ca 0.04 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 2kup s THR 24 Cb 0.06 -0.72 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 2kup s THR 24 CO -0.09 0.20 1.45 0.21 -0.69 0.00 0.00 174.62 175.70 2kup s ASN 25 N 1.90 6.72 0.15 3.53 3.84 -0.31 -0.95 114.94 129.83 2kup s ASN 25 Ca 0.04 2.49 0.08 0.00 0.21 0.00 0.00 52.86 55.68 2kup s ASN 25 Cb -0.13 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 2kup s ASN 25 CO -0.06 -0.70 -0.18 0.68 -2.79 0.00 0.00 177.10 174.04 2kup s VAL 26 N 0.81 1.75 0.00 -5.21 -7.23 -0.40 -1.50 120.40 108.62 2kup s VAL 26 Ca 0.65 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2kup s VAL 26 Cb -0.40 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2kup s VAL 26 CO 0.34 -0.29 0.00 -0.90 -0.31 0.00 0.00 175.10 173.93 2kup n ASP 27 N 0.42 0.00 0.22 4.85 5.75 -0.94 -4.55 116.55 122.31 2kup n ASP 27 Ca -0.14 -0.96 0.06 0.00 -0.01 0.00 0.00 54.79 53.74 2kup n ASP 27 Cb 0.57 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.17 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 0.00 0.70 -1.12 2.03 -2.00 -3.12 116.42 112.91 2kup h ASP 28 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 2kup h ASP 28 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2kup h ASP 28 CO 0.00 0.21 -1.39 -0.62 -1.03 0.00 0.00 179.24 176.41 2kup n GLU 29 N -4.16 0.62 0.00 4.15 1.02 -1.26 -4.98 120.64 116.03 2kup n GLU 29 Ca -0.02 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2kup n GLU 29 Cb 0.28 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2kup n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kup n GLY 30 N 1.35 1.65 3.78 0.62 0.00 -1.18 -5.12 105.19 106.30 2kup n GLY 30 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2kup n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kup s VAL 31 N -2.00 4.34 -0.11 1.61 1.01 -1.26 -4.77 120.40 119.22 2kup s VAL 31 Ca 0.00 1.73 -0.27 0.00 0.00 0.00 0.00 61.98 63.43 2kup s VAL 31 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2kup s VAL 31 CO 0.00 0.48 0.91 -1.61 0.00 0.00 0.00 175.10 174.88 2kup s GLU 32 N -1.25 4.40 -0.11 2.72 2.02 -1.26 -2.21 118.70 123.02 2kup s GLU 32 Ca 0.37 1.21 -0.08 0.00 0.02 0.00 0.00 54.97 56.50 2kup s GLU 32 Cb -0.23 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2kup s GLU 32 CO 0.26 -0.24 -0.18 1.28 0.02 0.00 0.00 175.26 176.40 2kup n LEU 33 N 4.80 1.17 -3.75 1.80 4.77 -0.56 -5.02 117.00 120.21 2kup n LEU 33 Ca 0.06 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2kup n LEU 33 Cb 0.49 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2kup n LEU 33 CO 0.50 0.03 0.04 -0.83 -1.33 0.00 0.00 177.39 175.80 2kup s GLY 34 N -5.00 -0.27 0.09 -0.72 0.00 -1.24 -5.02 107.32 95.15 2kup s GLY 34 Ca -0.18 1.01 -0.13 0.00 0.00 0.00 0.00 44.72 45.42 2kup s GLY 34 CO 0.24 0.87 0.47 -1.35 0.00 0.00 0.00 173.10 173.33 2kup s SER 35 N 0.14 6.77 0.29 1.64 1.04 -1.26 -1.16 113.70 121.17 2kup s SER 35 Ca -0.00 0.97 -0.17 0.00 0.48 0.00 0.00 55.95 57.22 2kup s SER 35 Cb -0.03 -2.25 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2kup s SER 35 CO 0.01 0.18 0.65 -0.83 0.98 0.00 0.00 173.24 174.23 2kup s GLY 36 N -1.56 0.23 -0.19 7.32 0.00 -0.31 -4.65 107.32 108.16 2kup s GLY 36 Ca 0.33 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2kup s GLY 36 CO 0.18 -0.32 -0.17 0.14 0.00 0.00 0.00 173.10 172.93 2kup s VAL 37 N -3.66 2.29 0.05 1.40 1.01 0.30 -0.71 120.40 121.07 2kup s VAL 37 Ca 0.16 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 2kup s VAL 37 Cb -0.04 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2kup s VAL 37 CO 0.09 0.49 0.83 -0.32 0.00 0.00 0.00 175.10 176.19 2kup s MET 38 N 1.31 4.55 -0.07 2.72 1.75 0.23 -0.94 119.30 128.85 2kup s MET 38 Ca 0.04 1.19 0.03 0.00 -1.25 0.00 0.00 55.69 55.70 2kup s MET 38 Cb -0.14 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.16 2kup s MET 38 CO -0.11 0.21 -0.15 -2.00 -0.65 0.00 0.00 175.02 172.32 2kup s GLU 39 N 0.16 1.94 -0.27 4.11 2.12 0.52 -0.62 118.70 126.66 2kup s GLU 39 Ca 0.42 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 55.15 2kup s GLU 39 Cb -0.21 -1.57 -0.03 0.00 0.26 0.00 0.00 34.13 32.58 2kup s GLU 39 CO 0.25 0.07 0.13 -0.51 -0.54 0.00 0.00 175.26 174.66 2kup s LEU 40 N 0.54 3.76 0.43 2.70 1.02 -1.17 -1.30 118.68 124.67 2kup s LEU 40 Ca -0.14 -0.20 0.04 0.00 0.02 0.00 0.00 54.13 53.85 2kup s LEU 40 Cb -0.16 -2.01 -0.05 0.00 0.02 0.00 0.00 46.19 44.00 2kup s LEU 40 CO 0.05 -0.07 0.03 0.42 0.02 0.00 0.00 176.35 176.79 2kup s THR 41 N 1.66 1.42 -2.00 5.49 -4.23 -1.16 -4.93 115.64 111.89 2kup s THR 41 Ca 0.06 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.75 2kup s THR 41 Cb -0.16 -2.61 0.50 0.00 1.34 0.00 0.00 72.50 71.57 2kup s THR 41 CO 0.07 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.65 2kup n GLN 42 N -1.01 0.73 -0.09 3.99 6.02 -1.26 -3.80 117.38 121.97 2kup n GLN 42 Ca -0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.74 2kup n GLN 42 Cb 0.67 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 30.49 2kup n GLN 42 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2kup n SER 43 N -0.87 1.84 -3.64 1.08 3.41 -1.26 -4.98 113.62 109.19 2kup n SER 43 Ca 0.13 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2kup n SER 43 Cb 0.06 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2kup n SER 43 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2kup s GLU 44 N -2.32 0.71 0.11 4.33 -1.05 -1.25 -4.59 118.70 114.64 2kup s GLU 44 Ca -0.24 -0.42 -0.26 0.00 -0.15 0.00 0.00 54.97 53.90 2kup s GLU 44 Cb 0.08 0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 2kup s GLU 44 CO 0.34 -0.33 0.80 -0.51 0.95 0.00 0.00 175.26 176.51 2kup s LEU 45 N -3.22 4.52 -0.04 1.83 1.43 -0.64 -2.99 118.68 119.57 2kup s LEU 45 Ca 0.18 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2kup s LEU 45 Cb 0.01 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.94 2kup s LEU 45 CO -0.00 0.08 -0.04 -0.69 0.23 0.00 0.00 176.35 175.93 2kup s VAL 46 N -0.49 0.50 -0.23 -1.59 1.01 -0.42 -1.46 120.40 117.73 2kup s VAL 46 Ca 0.39 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 2kup s VAL 46 Cb -0.22 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2kup s VAL 46 CO 0.25 0.21 0.15 -0.76 0.00 0.00 0.00 175.10 174.95 2kup s LEU 47 N 0.84 4.13 -0.16 3.92 1.43 0.34 -0.36 118.68 128.82 2kup s LEU 47 Ca -0.11 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2kup s LEU 47 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2kup s LEU 47 CO 0.00 0.10 0.08 -1.00 0.23 0.00 0.00 176.35 175.77 2kup s HIS 48 N 0.82 3.34 0.06 0.29 3.76 -0.11 -2.40 115.29 121.05 2kup s HIS 48 Ca 0.07 0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.26 2kup s HIS 48 Cb -0.13 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2kup s HIS 48 CO 0.02 0.36 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.66 2kup s LEU 49 N -0.15 2.28 -0.19 0.89 1.02 -1.26 -0.54 118.68 120.73 2kup s LEU 49 Ca 0.08 -0.61 -0.29 0.00 0.02 0.00 0.00 54.13 53.33 2kup s LEU 49 Cb -0.12 -0.30 -0.02 0.00 0.02 0.00 0.00 46.19 45.77 2kup s LEU 49 CO 0.01 -0.17 1.34 -2.28 0.02 0.00 0.00 176.35 175.27 2kup s HIS 50 N -1.50 2.66 -1.60 0.29 5.65 -1.26 -4.10 115.29 115.43 2kup s HIS 50 Ca -0.05 0.86 0.00 0.00 0.25 0.00 0.00 55.06 56.11 2kup s HIS 50 Cb -0.09 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.63 2kup s HIS 50 CO 0.01 -2.02 0.00 0.54 -0.65 0.00 0.00 174.74 172.62 2kup n ARG 51 N 6.92 -1.75 -4.06 2.88 5.12 -1.26 -4.97 116.66 119.55 2kup n ARG 51 Ca 0.15 0.90 -0.11 0.00 -1.93 0.00 0.00 57.85 56.87 2kup n ARG 51 Cb 0.45 -5.45 -0.11 0.00 -1.16 0.00 0.00 32.46 26.19 2kup n ARG 51 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kup s ARG 52 N -4.59 0.52 0.32 5.56 1.81 -1.26 -5.15 118.95 116.16 2kup s ARG 52 Ca 0.00 -0.87 -0.29 0.00 -1.72 0.00 0.00 55.73 52.85 2kup s ARG 52 Cb 0.00 -0.08 -0.11 0.00 -0.45 0.00 0.00 34.95 34.31 2kup s ARG 52 CO 0.00 -0.01 1.53 -1.21 -0.68 0.00 0.00 175.30 174.92 2kup s GLU 53 N -2.24 4.14 0.61 3.54 8.01 -1.26 -4.51 118.70 126.99 2kup s GLU 53 Ca -0.06 2.53 -0.17 0.00 0.01 0.00 0.00 54.97 57.28 2kup s GLU 53 Cb -0.05 -3.02 -0.03 0.00 -4.31 0.00 0.00 34.13 26.73 2kup s GLU 53 CO -0.02 -0.56 1.11 0.00 0.01 0.00 0.00 175.26 175.80 2kup s ALA 54 N -0.42 2.58 -0.03 5.21 0.00 -1.26 -4.83 121.76 123.01 2kup s ALA 54 Ca 0.59 0.64 0.03 0.00 0.00 0.00 0.00 51.96 53.22 2kup s ALA 54 Cb -0.46 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2kup s ALA 54 CO 0.53 -1.04 -0.10 0.08 0.00 0.00 0.00 175.76 175.23 2kup s VAL 55 N -2.12 0.85 0.07 0.00 1.01 -1.01 -5.01 120.40 114.18 2kup s VAL 55 Ca 0.69 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2kup s VAL 55 Cb -0.21 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2kup s VAL 55 CO 0.35 0.26 -0.09 -0.13 0.00 0.00 0.00 175.10 175.49 2kup s ARG 56 N 0.20 0.69 -0.07 2.72 3.00 -1.26 -0.51 118.95 123.72 2kup s ARG 56 Ca -0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 55.73 54.73 2kup s ARG 56 Cb -0.09 -0.45 0.04 0.00 0.00 0.00 0.00 34.95 34.45 2kup s ARG 56 CO 0.01 0.08 0.12 -1.58 0.00 0.00 0.00 175.30 173.93 2kup s TRP 57 N -1.80 -0.09 0.46 -0.53 0.51 -0.53 -4.25 118.94 112.71 2kup s TRP 57 Ca -0.03 0.47 -0.23 0.00 -2.12 0.00 0.00 56.10 54.19 2kup s TRP 57 Cb -0.07 -0.35 -0.07 0.00 -0.81 0.00 0.00 33.47 32.17 2kup s TRP 57 CO 0.00 -0.25 1.20 -1.25 -0.51 0.00 0.00 176.95 176.15 2kup s PRO 58 N 2.25 3.71 0.63 4.98 0.04 -1.26 -1.63 135.00 143.71 2kup s PRO 58 Ca 0.04 1.87 0.37 0.00 0.04 0.00 0.00 61.00 63.32 2kup s PRO 58 Cb -0.12 -2.43 2.10 0.00 0.04 0.00 0.00 34.50 34.09 2kup s PRO 58 CO -0.05 -0.62 2.31 1.88 0.04 0.00 0.00 177.00 180.56 2kup h TYR 59 N 2.06 0.00 -0.67 0.56 0.05 -1.95 -1.85 116.97 115.17 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 -0.03 0.00 1.01 0.00 0.00 36.73 38.96 2kup h TYR 59 CO 0.52 0.00 0.25 1.25 -1.05 0.00 0.00 178.16 179.14 2kup h LEU 60 N 0.00 0.93 -0.42 3.88 5.85 -1.96 -2.98 115.31 120.61 2kup h LEU 60 Ca -0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kup h LEU 60 Cb 0.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 2kup h LEU 60 CO 0.00 0.86 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 2kup s LEU 62 N -4.35 4.35 0.44 0.00 1.43 -1.13 -1.18 118.68 118.24 2kup s LEU 62 Ca 0.07 -2.27 0.13 0.00 -1.03 0.00 0.00 54.13 51.02 2kup s LEU 62 Cb 0.11 -2.49 0.96 0.00 0.03 0.00 0.00 46.19 44.80 2kup s LEU 62 CO 0.45 -1.11 1.99 -0.09 0.23 0.00 0.00 176.35 177.82 2kup h ARG 63 N 8.26 0.09 -2.30 1.70 9.65 -1.75 -3.44 114.38 126.58 2kup h ARG 63 Ca 0.29 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 2kup h ARG 63 Cb 0.94 -0.02 -0.24 0.00 -1.39 0.00 0.00 29.97 29.27 2kup h ARG 63 CO 1.32 0.22 -0.15 0.50 2.80 0.00 0.00 179.97 184.66 2kup s ARG 64 N -4.76 0.54 -0.24 0.20 3.52 -1.25 -5.05 118.95 111.92 2kup s ARG 64 Ca -0.05 1.06 -0.04 0.00 -0.13 0.00 0.00 55.73 56.57 2kup s ARG 64 Cb 0.16 0.14 0.08 0.00 -1.56 0.00 0.00 34.95 33.77 2kup s ARG 64 CO 0.71 -0.16 0.10 1.52 -0.81 0.00 0.00 175.30 176.65 2kup s TYR 65 N 1.71 0.43 0.37 5.12 1.13 -1.26 -1.23 117.35 123.62 2kup s TYR 65 Ca -0.09 -0.72 0.08 0.00 -1.41 0.00 0.00 57.07 54.93 2kup s TYR 65 Cb -0.07 -0.89 -0.05 0.00 -1.10 0.00 0.00 41.96 39.85 2kup s TYR 65 CO -0.16 -0.69 0.14 0.20 -2.51 0.00 0.00 175.55 172.53 2kup s GLY 66 N 2.06 2.13 0.07 5.49 0.00 -0.01 -5.01 107.32 112.04 2kup s GLY 66 Ca 0.05 -1.97 -0.07 0.00 0.00 0.00 0.00 44.72 42.74 2kup s GLY 66 CO -0.23 -1.84 0.13 -2.52 0.00 0.00 0.00 173.10 168.64 2kup s TYR 67 N -2.51 0.24 0.34 1.90 1.13 -1.26 -2.44 117.35 114.74 2kup s TYR 67 Ca 0.39 -0.67 -0.07 0.00 -1.41 0.00 0.00 57.07 55.31 2kup s TYR 67 Cb 0.00 -0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.73 2kup s TYR 67 CO 0.22 -0.48 0.55 0.34 -2.51 0.00 0.00 175.55 173.68 2kup s ASP 68 N -2.73 0.58 0.15 -0.18 2.15 -0.01 -5.00 116.67 111.63 2kup s ASP 68 Ca 0.03 -1.34 0.11 0.00 0.43 0.00 0.00 52.55 51.79 2kup s ASP 68 Cb 0.04 0.70 0.57 0.00 -0.30 0.00 0.00 42.92 43.93 2kup s ASP 68 CO -0.09 -1.37 1.33 -1.20 -0.17 0.00 0.00 175.17 173.66 2kup n SER 69 N -1.29 0.27 -0.08 -0.34 7.64 -1.26 -3.22 113.62 115.34 2kup n SER 69 Ca -0.02 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2kup n SER 69 Cb 0.61 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2kup n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2kup n ASN 70 N -1.85 0.00 -3.79 6.43 6.94 -1.26 -4.88 115.26 116.85 2kup n ASN 70 Ca -0.00 -1.04 -0.14 0.00 -0.02 0.00 0.00 54.58 53.37 2kup n ASN 70 Cb 0.03 -0.01 -0.15 0.00 -2.36 0.00 0.00 39.78 37.29 2kup n ASN 70 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2kup s LEU 71 N 0.00 1.20 -0.06 -4.53 1.98 -1.20 -1.92 118.68 114.14 2kup s LEU 71 Ca 0.00 0.07 0.05 0.00 -2.89 0.00 0.00 54.13 51.36 2kup s LEU 71 Cb 0.00 0.01 -0.00 0.00 0.66 0.00 0.00 46.19 46.85 2kup s LEU 71 CO 0.00 -0.11 -0.21 0.12 -1.89 0.00 0.00 176.35 174.26 2kup s PHE 72 N 0.88 2.11 0.02 5.38 5.36 -0.19 -0.83 117.98 130.70 2kup s PHE 72 Ca -0.07 -0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 55.02 2kup s PHE 72 Cb -0.10 -1.41 0.03 0.00 -0.34 0.00 0.00 43.02 41.20 2kup s PHE 72 CO -0.03 -0.25 0.40 0.45 -1.46 0.00 0.00 175.22 174.34 2kup s SER 73 N 0.10 -0.28 0.00 6.13 0.15 -1.02 -0.64 113.70 118.14 2kup s SER 73 Ca -0.08 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.51 2kup s SER 73 Cb -0.14 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2kup s SER 73 CO 0.04 -0.59 0.31 0.72 1.20 0.00 0.00 173.24 174.92 2kup s PHE 74 N -2.03 -0.16 -0.20 3.44 -0.12 -1.08 -0.83 117.98 117.00 2kup s PHE 74 Ca -0.08 0.19 -0.07 0.00 -0.05 0.00 0.00 56.93 56.91 2kup s PHE 74 Cb -0.02 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2kup s PHE 74 CO 0.01 -0.42 0.06 -2.00 -0.05 0.00 0.00 175.22 172.81 2kup s GLU 75 N -1.67 3.85 -0.13 1.99 2.12 -0.37 -1.93 118.70 122.56 2kup s GLU 75 Ca -0.11 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.83 2kup s GLU 75 Cb -0.04 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2kup s GLU 75 CO 0.02 0.11 -0.15 -1.54 -0.54 0.00 0.00 175.26 173.16 2kup s SER 76 N 0.80 2.62 0.90 -1.70 1.04 -0.90 -2.75 113.70 113.71 2kup s SER 76 Ca 0.03 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 2kup s SER 76 Cb -0.14 -1.16 0.14 0.00 0.10 0.00 0.00 66.02 64.96 2kup s SER 76 CO 0.02 -0.02 1.10 -0.83 0.98 0.00 0.00 173.24 174.50 2kup s GLY 77 N 1.23 1.65 0.47 7.32 0.00 -0.32 -3.10 107.32 114.57 2kup s GLY 77 Ca -0.01 0.26 0.28 0.00 0.00 0.00 0.00 44.72 45.25 2kup s GLY 77 CO -0.06 0.71 1.84 0.07 0.00 0.00 0.00 173.10 175.66 2kup h ARG 78 N -1.70 0.00 0.00 2.90 0.11 -1.92 -2.58 114.38 111.20 2kup h ARG 78 Ca -0.47 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 2kup h ARG 78 Cb 1.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 2kup h ARG 78 CO 0.48 0.00 -0.17 0.07 0.10 0.00 0.00 179.97 180.45 2kup h ARG 79 N 0.00 0.00 -7.49 0.08 -0.00 -1.92 -3.40 114.38 101.65 2kup h ARG 79 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 59.98 59.54 2kup h ARG 79 Cb 0.19 0.00 0.16 0.00 -0.00 0.00 0.00 29.97 30.32 2kup h ARG 79 CO 0.00 0.17 0.25 0.00 -0.00 0.00 0.00 179.97 180.39 2kup h GLN 81 N -1.92 0.95 0.00 0.00 4.15 -1.92 -2.97 115.11 113.40 2kup h GLN 81 Ca -0.49 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 58.85 2kup h GLN 81 Cb 1.31 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 2kup h GLN 81 CO 0.50 0.63 -1.17 0.25 -1.93 0.00 0.00 178.83 177.11 2kup n THR 82 N -4.61 0.65 0.00 2.39 -2.24 -1.26 -5.09 114.28 104.11 2kup n THR 82 Ca 0.19 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2kup n THR 82 Cb 0.36 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.22 -0.70 3.72 3.38 0.00 -1.12 -4.98 105.19 106.70 2kup n GLY 83 Ca -0.02 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2kup n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kup s GLN 84 N -1.49 4.26 0.00 1.61 2.00 -1.26 -4.75 119.66 120.03 2kup s GLN 84 Ca 0.00 2.24 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 2kup s GLN 84 Cb 0.00 -3.19 0.00 0.00 0.80 0.00 0.00 33.01 30.62 2kup s GLN 84 CO 0.00 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 174.68 2kup n GLY 85 N 3.48 -2.10 3.32 2.59 0.00 -1.18 -4.97 105.19 106.34 2kup n GLY 85 Ca 0.12 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.06 2.65 -0.13 -0.61 1.01 -1.26 -2.12 121.20 118.68 2kup s ILE 86 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2kup s ILE 86 Cb 0.00 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.42 2kup s ILE 86 CO 0.00 0.54 -0.13 -0.36 0.00 0.00 0.00 174.94 174.99 2kup s PHE 87 N 0.23 2.00 -0.06 3.97 0.08 -0.81 -5.00 117.98 118.39 2kup s PHE 87 Ca -0.12 -1.07 0.04 0.00 0.12 0.00 0.00 56.93 55.91 2kup s PHE 87 Cb -0.16 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2kup s PHE 87 CO 0.06 -0.60 -0.20 0.00 -0.10 0.00 0.00 175.22 174.38 2kup s ALA 88 N 1.42 2.39 -0.03 5.36 0.00 -1.26 -2.62 121.76 127.02 2kup s ALA 88 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2kup s ALA 88 Cb -0.13 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2kup s ALA 88 CO -0.08 0.44 -0.01 -0.06 0.00 0.00 0.00 175.76 176.05 2kup s PHE 89 N -0.30 0.41 0.16 0.00 0.40 0.19 -1.27 117.98 117.56 2kup s PHE 89 Ca 0.01 -0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.00 2kup s PHE 89 Cb -0.13 -0.47 -0.07 0.00 0.51 0.00 0.00 43.02 42.86 2kup s PHE 89 CO 0.03 -0.15 1.10 0.15 0.70 0.00 0.00 175.22 177.05 2kup s LYS 90 N 1.06 4.58 -0.18 0.44 1.02 -0.13 -1.03 119.74 125.51 2kup s LYS 90 Ca -0.09 1.71 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 2kup s LYS 90 Cb -0.14 -3.29 0.14 0.00 -0.52 0.00 0.00 37.83 34.02 2kup s LYS 90 CO -0.01 0.05 1.07 0.00 -0.92 0.00 0.00 175.35 175.54 2kup h SER 92 N 2.39 0.70 -0.18 0.00 0.02 -1.88 -3.32 113.55 111.29 2kup h SER 92 Ca -0.16 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2kup h SER 92 Cb 1.17 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kup h SER 92 CO 0.29 1.23 0.01 0.54 -1.14 0.00 0.00 176.83 177.76 2kup n ARG 93 N -3.88 2.14 -0.30 3.45 1.74 -1.26 -4.57 116.66 113.98 2kup n ARG 93 Ca -0.06 -0.95 0.10 0.00 -0.77 0.00 0.00 57.85 56.18 2kup n ARG 93 Cb 0.73 -1.71 0.27 0.00 -1.02 0.00 0.00 32.46 30.73 2kup n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kup h ALA 94 N 2.56 1.38 -0.27 7.54 0.00 -1.85 -0.79 119.26 127.83 2kup h ALA 94 Ca 0.01 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2kup h ALA 94 Cb 0.98 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kup h ALA 94 CO 0.16 -0.21 -0.40 1.49 0.00 0.00 0.00 179.25 180.28 2kup h GLU 95 N 0.52 0.64 -0.20 0.00 4.81 -1.81 -1.91 114.58 116.64 2kup h GLU 95 Ca 0.52 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2kup h GLU 95 Cb 0.87 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2kup h GLU 95 CO -0.44 0.93 -0.34 0.93 -0.73 0.00 0.00 179.01 179.35 2kup h GLU 96 N 0.53 0.41 -0.20 1.92 4.39 -1.55 0.81 114.58 120.89 2kup h GLU 96 Ca 0.04 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2kup h GLU 96 Cb 0.92 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2kup h GLU 96 CO 0.08 0.71 0.10 0.82 -1.16 0.00 0.00 179.01 179.56 2kup h ILE 97 N 0.35 1.13 -0.68 3.13 2.04 -1.10 -1.70 117.51 120.68 2kup h ILE 97 Ca 0.04 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2kup h ILE 97 Cb 0.77 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 2kup h ILE 97 CO 0.06 0.13 0.44 0.15 0.00 0.00 0.00 178.15 178.93 2kup h PHE 98 N 0.20 0.84 -0.26 1.37 3.57 -1.01 0.60 116.94 122.24 2kup h PHE 98 Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2kup h PHE 98 Cb 0.12 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2kup h PHE 98 CO -0.03 0.52 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.43 2kup h ASN 99 N 0.90 0.49 0.16 0.41 2.35 -0.79 -2.93 115.58 116.17 2kup h ASN 99 Ca 0.25 -0.16 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 2kup h ASN 99 Cb -0.08 -0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.19 2kup h ASN 99 CO -0.07 0.72 -1.20 0.25 -1.65 0.00 0.00 177.43 175.49 2kup h LEU 100 N 0.44 0.78 -0.25 1.61 6.46 -0.99 -3.33 115.31 120.03 2kup h LEU 100 Ca 0.07 -0.87 0.06 0.00 -0.12 0.00 0.00 57.88 57.02 2kup h LEU 100 Cb 0.64 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 2kup h LEU 100 CO 0.05 1.58 -0.15 -0.07 -0.62 0.00 0.00 178.44 179.23 2kup h LEU 101 N 0.10 -0.50 -2.30 2.25 3.38 -0.85 -1.59 115.31 115.80 2kup h LEU 101 Ca -0.19 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kup h LEU 101 Cb 1.91 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.92 2kup h LEU 101 CO 0.23 -0.19 -0.05 0.06 0.09 0.00 0.00 178.44 178.58 2kup h GLN 102 N -0.13 0.00 0.00 1.13 3.07 -1.66 0.34 115.11 117.86 2kup h GLN 102 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.74 2kup h GLN 102 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 2kup h GLN 102 CO -0.33 0.05 -0.67 -0.44 0.09 0.00 0.00 178.83 177.53 2kup h ASP 103 N 0.00 0.00 0.50 0.06 3.32 -1.40 -2.91 116.42 115.99 2kup h ASP 103 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 2kup h ASP 103 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2kup h ASP 103 CO 0.01 0.67 -1.50 -0.07 -1.72 0.00 0.00 179.24 176.62 2kup h LEU 104 N 0.00 0.34 -1.44 1.55 3.38 -0.94 -2.71 115.31 115.50 2kup h LEU 104 Ca -0.01 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 57.60 2kup h LEU 104 Cb 1.33 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2kup h LEU 104 CO 0.09 1.39 0.49 0.24 0.09 0.00 0.00 178.44 180.74 2kup h MET 105 N 0.06 0.60 -0.00 1.13 2.86 -1.03 -1.41 114.93 117.13 2kup h MET 105 Ca -0.23 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2kup h MET 105 Cb 2.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.52 2kup h MET 105 CO 0.15 0.40 -0.42 0.00 1.06 0.00 0.00 176.91 178.10 2kup n GLN 106 N -4.50 0.25 0.12 1.72 10.64 -1.10 -3.94 117.38 120.58 2kup n GLN 106 Ca 0.13 -0.15 0.04 0.00 -1.83 0.00 0.00 57.00 55.19 2kup n GLN 106 Cb 0.37 -1.50 0.02 0.00 -0.86 0.00 0.00 30.24 28.27 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 -6.18 4.12 -0.55 0.00 0.01 -0.96 -5.01 114.94 106.37 2kup s ASN 108 Ca 0.02 1.40 -0.27 0.00 -0.71 0.00 0.00 52.86 53.30 2kup s ASN 108 Cb 0.08 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.65 2kup s ASN 108 CO 0.75 -2.22 1.11 -0.44 -1.51 0.00 0.00 177.10 174.79 2kup s SER 109 N -3.70 6.45 -0.25 -1.22 0.01 -1.26 -4.89 113.70 108.84 2kup s SER 109 Ca 0.62 0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.77 2kup s SER 109 Cb -0.16 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.43 2kup s SER 109 CO 0.55 -1.36 -0.23 -0.38 0.41 0.00 0.00 173.24 172.23 2kup n ILE 110 N 6.57 1.53 0.83 1.44 -0.00 -1.26 -4.60 119.36 123.86 2kup n ILE 110 Ca 0.07 -0.26 0.07 0.00 -0.00 0.00 0.00 62.75 62.64 2kup n ILE 110 Cb 0.49 -1.96 0.41 0.00 -0.00 0.00 0.00 39.64 38.58 2kup n ILE 110 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2kup n ASN 111 N -4.31 0.00 0.04 4.38 4.13 -1.26 -1.28 115.26 116.95 2kup n ASN 111 Ca -0.46 -0.19 0.14 0.00 1.68 0.00 0.00 54.58 55.75 2kup n ASN 111 Cb 0.80 -0.15 0.53 0.00 -1.54 0.00 0.00 39.78 39.42 2kup n ASN 111 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2kup n VAL 112 N -1.15 0.20 -2.67 2.41 0.24 -1.26 -4.86 118.33 111.24 2kup n VAL 112 Ca 0.09 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.34 61.94 2kup n VAL 112 Cb 0.09 -0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 31.91 2kup n VAL 112 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2kup s MET 113 N -3.04 4.24 -0.72 7.34 -1.94 -0.41 -4.21 119.30 120.58 2kup s MET 113 Ca 0.13 1.35 -0.04 0.00 -1.71 0.00 0.00 55.69 55.42 2kup s MET 113 Cb 0.17 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 2kup s MET 113 CO 0.56 -0.04 0.62 -1.91 -0.01 0.00 0.00 175.02 174.24 2kup n GLU 114 N -0.17 -1.74 -1.21 2.03 2.13 -1.26 -5.01 120.64 115.41 2kup n GLU 114 Ca 0.05 0.59 -0.35 0.00 0.66 0.00 0.00 57.16 58.11 2kup n GLU 114 Cb 0.51 -4.45 0.10 0.00 0.27 0.00 0.00 31.44 27.87 2kup n GLU 114 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kup n GLU 115 N -2.70 0.29 -0.63 5.31 4.71 -1.26 -5.04 120.64 121.32 2kup n GLU 115 Ca -0.06 0.16 -0.29 0.00 -0.01 0.00 0.00 57.16 56.96 2kup n GLU 115 Cb 0.58 -2.15 0.25 0.00 -1.01 0.00 0.00 31.44 29.12 2kup n GLU 115 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2kup s PRO 116 N -3.44 -1.21 -0.05 3.49 0.04 -1.26 -4.90 135.00 127.67 2kup s PRO 116 Ca 0.70 0.58 -0.37 0.00 0.04 0.00 0.00 61.00 61.95 2kup s PRO 116 Cb -0.32 -1.54 -0.15 0.00 0.04 0.00 0.00 34.50 32.53 2kup s PRO 116 CO 0.54 -3.85 1.62 1.55 0.04 0.00 0.00 177.00 176.89 2kup n VAL 117 N -4.97 0.21 -4.13 -0.36 3.14 -1.26 -5.00 118.33 105.96 2kup n VAL 117 Ca 0.05 -0.04 -0.23 0.00 -2.96 0.00 0.00 64.34 61.16 2kup n VAL 117 Cb 0.56 -1.28 -0.06 0.00 -1.06 0.00 0.00 33.84 32.00 2kup n VAL 117 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2kup s ILE 118 N 2.23 3.26 -0.55 1.55 -1.09 -1.26 -5.04 121.20 120.31 2kup s ILE 118 Ca 0.90 -1.70 0.19 0.00 -2.23 0.00 0.00 60.65 57.81 2kup s ILE 118 Cb -0.89 -2.99 0.20 0.00 -1.58 0.00 0.00 42.46 37.19 2kup s ILE 118 CO 0.52 -0.24 1.60 2.30 -1.23 0.00 0.00 174.94 177.89 2kup n ILE 119 N -1.11 1.01 -3.48 2.92 -5.35 -1.26 -4.70 119.36 107.39 2kup n ILE 119 Ca -0.04 0.38 -0.38 0.00 -0.27 0.00 0.00 62.75 62.44 2kup n ILE 119 Cb 0.60 -1.30 -0.06 0.00 -1.74 0.00 0.00 39.64 37.14 2kup n ILE 119 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2kup s THR 120 N -3.29 5.00 0.19 7.28 2.01 -1.26 -5.04 115.64 120.53 2kup s THR 120 Ca 0.03 0.84 -0.32 0.00 0.31 0.00 0.00 61.69 62.54 2kup s THR 120 Cb 0.08 -3.72 -0.15 0.00 0.01 0.00 0.00 72.50 68.71 2kup s THR 120 CO 0.29 0.53 1.20 -2.11 -0.69 0.00 0.00 174.62 173.85 2kup n ARG 121 N 1.66 1.36 -3.52 4.92 1.85 -1.26 -5.00 116.66 116.67 2kup n ARG 121 Ca -0.13 0.48 -0.17 0.00 -1.00 0.00 0.00 57.85 57.04 2kup n ARG 121 Cb 0.52 -2.01 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 2kup n ARG 121 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kup s ASN 122 N 0.02 -0.62 -0.12 2.89 2.20 -1.26 -5.09 114.94 112.97 2kup s ASN 122 Ca 0.71 0.61 -0.07 0.00 -0.94 0.00 0.00 52.86 53.17 2kup s ASN 122 Cb -0.80 0.52 -0.04 0.00 -2.00 0.00 0.00 41.25 38.93 2kup s ASN 122 CO 0.52 -0.62 0.15 -0.55 -2.94 0.00 0.00 177.10 173.67 2kup s SER 123 N -1.35 6.41 -0.21 3.54 0.15 -1.26 -5.11 113.70 115.87 2kup s SER 123 Ca -0.09 0.49 -0.07 0.00 0.70 0.00 0.00 55.95 56.99 2kup s SER 123 Cb -0.00 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2kup s SER 123 CO 0.07 0.40 0.05 -1.00 1.20 0.00 0.00 173.24 173.95 2kup s HIS 124 N -1.01 3.11 0.72 3.44 3.76 -1.26 -5.11 115.29 118.94 2kup s HIS 124 Ca 0.15 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 2kup s HIS 124 Cb -0.12 -2.14 0.02 0.00 1.11 0.00 0.00 32.58 31.44 2kup s HIS 124 CO 0.04 -0.18 1.07 -1.25 -0.85 0.00 0.00 174.74 173.58 2kup s PRO 125 N 1.07 2.77 0.00 8.40 0.04 -1.26 -4.94 135.00 141.07 2kup s PRO 125 Ca 0.03 0.84 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 2kup s PRO 125 Cb -0.14 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2kup s PRO 125 CO 0.03 -1.19 2.03 0.00 0.04 0.00 0.00 177.00 177.90 2kup n ALA 126 N -3.17 4.06 -2.62 8.56 0.00 -1.26 -4.89 120.51 121.19 2kup n ALA 126 Ca 0.07 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2kup n ALA 126 Cb 0.54 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 2kup n ALA 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kup s GLU 127 N 0.22 3.98 0.00 0.00 2.56 -1.26 -5.02 118.70 119.17 2kup s GLU 127 Ca 0.06 0.65 -0.28 0.00 0.00 0.00 0.00 54.97 55.41 2kup s GLU 127 Cb 0.03 -3.73 0.09 0.00 2.00 0.00 0.00 34.13 32.52 2kup s GLU 127 CO 0.00 -0.71 0.77 -0.48 -0.56 0.00 0.00 175.26 174.28 2kup s LEU 128 N 3.05 -0.51 -0.05 2.70 2.34 -1.26 -5.19 118.68 119.77 2kup s LEU 128 Ca 0.34 0.27 -0.29 0.00 0.06 0.00 0.00 54.13 54.50 2kup s LEU 128 Cb -0.14 2.30 0.09 0.00 -0.56 0.00 0.00 46.19 47.88 2kup s LEU 128 CO 0.13 -0.67 0.78 -0.62 -1.06 0.00 0.00 176.35 174.91 2kup s ASP 129 N -1.97 -0.53 0.18 1.48 2.15 -1.26 -5.20 116.67 111.52 2kup s ASP 129 Ca -0.02 0.45 0.02 0.00 0.43 0.00 0.00 52.55 53.43 2kup s ASP 129 Cb -0.01 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 43.03 2kup s ASP 129 CO -0.03 -0.58 0.01 -1.48 -0.17 0.00 0.00 175.17 172.91 2kup s LEU 130 N -1.52 2.08 0.47 -1.34 2.34 -1.26 -5.17 118.68 114.28 2kup s LEU 130 Ca -0.05 -1.19 -0.06 0.00 0.06 0.00 0.00 54.13 52.88 2kup s LEU 130 Cb -0.00 -0.07 -0.04 0.00 -0.56 0.00 0.00 46.19 45.51 2kup s LEU 130 CO 0.02 -0.57 0.79 -2.16 -1.06 0.00 0.00 176.35 173.37 2kup s PRO 131 N -3.92 3.59 -0.12 1.48 0.04 -1.26 -5.11 135.00 129.71 2kup s PRO 131 Ca 0.25 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.39 2kup s PRO 131 Cb 0.06 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.27 2kup s PRO 131 CO 0.05 -0.18 0.45 0.50 0.04 0.00 0.00 177.00 177.86 2kup s ARG 132 N -4.57 0.64 -0.03 4.56 3.52 -1.26 -5.18 118.95 116.62 2kup s ARG 132 Ca 0.48 0.39 -0.21 0.00 -0.13 0.00 0.00 55.73 56.26 2kup s ARG 132 Cb -0.10 0.30 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2kup s ARG 132 CO 0.42 -0.13 0.46 0.00 -0.81 0.00 0.00 175.30 175.25 2kup s ALA 133 N -0.33 -1.18 0.95 6.12 0.00 -1.26 -5.18 121.76 120.87 2kup s ALA 133 Ca -0.05 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 2kup s ALA 133 Cb -0.03 0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.25 2kup s ALA 133 CO 0.03 -0.30 1.14 -1.25 0.00 0.00 0.00 175.76 175.38 2kup s PRO 134 N -1.21 0.86 -0.07 0.00 0.04 -1.26 -5.10 135.00 128.26 2kup s PRO 134 Ca -0.12 0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.18 2kup s PRO 134 Cb -0.03 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2kup s PRO 134 CO 0.06 -2.38 -0.11 -1.14 0.04 0.00 0.00 177.00 173.48 2kup s GLN 135 N -5.29 1.60 0.34 4.56 2.00 -1.26 -5.14 119.66 116.46 2kup s GLN 135 Ca 0.65 -0.36 -0.27 0.00 -2.00 0.00 0.00 55.36 53.38 2kup s GLN 135 Cb -0.14 -1.38 -0.09 0.00 0.80 0.00 0.00 33.01 32.20 2kup s GLN 135 CO 0.54 -0.02 1.07 -1.25 -0.50 0.00 0.00 175.29 175.12 2kup s PRO 136 N 0.83 4.42 0.75 1.67 0.04 -1.26 -5.05 135.00 136.40 2kup s PRO 136 Ca -0.12 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 2kup s PRO 136 Cb -0.15 -2.88 0.04 0.00 0.04 0.00 0.00 34.50 31.55 2kup s PRO 136 CO 0.02 0.05 1.13 -1.25 0.04 0.00 0.00 177.00 176.99 2kup s PRO 137 N -1.94 2.45 0.35 0.56 0.04 -1.26 -5.05 135.00 130.15 2kup s PRO 137 Ca 0.51 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.60 2kup s PRO 137 Cb -0.27 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 2kup s PRO 137 CO 0.34 -1.30 1.34 -0.80 0.04 0.00 0.00 177.00 176.62 2kup s ASN 138 N -4.41 6.65 -0.03 6.66 -0.87 -1.26 -5.01 114.94 116.68 2kup s ASN 138 Ca 0.60 2.76 -0.02 0.00 -1.57 0.00 0.00 52.86 54.63 2kup s ASN 138 Cb -0.11 -2.65 -0.01 0.00 -0.02 0.00 0.00 41.25 38.45 2kup s ASN 138 CO 0.51 -0.63 0.22 0.00 -2.57 0.00 0.00 177.10 174.63 2kup h ALA 139 N 3.25 -0.21 -2.62 0.60 0.00 -2.07 -3.49 119.26 114.72 2kup h ALA 139 Ca -0.49 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 2kup h ALA 139 Cb 1.23 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 2kup h ALA 139 CO 0.65 -0.20 -0.39 -0.51 0.00 0.00 0.00 179.25 178.80 2kup s LEU 140 N -5.71 1.25 0.00 0.00 1.02 -1.26 -5.18 118.68 108.79 2kup s LEU 140 Ca -0.01 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 53.99 2kup s LEU 140 Cb 0.00 0.97 0.00 0.00 0.02 0.00 0.00 46.19 47.18 2kup s LEU 140 CO 0.04 -0.45 0.00 0.61 0.02 0.00 0.00 176.35 176.57 2kup n GLY 141 N 1.18 1.57 3.39 -3.19 0.00 -1.26 -5.18 105.19 101.70 2kup n GLY 141 Ca -0.21 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 2kup n GLY 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kup s TYR 142 N 2.01 -0.43 -0.00 1.61 5.04 -1.26 -5.19 117.35 119.13 2kup s TYR 142 Ca 0.00 0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 55.14 2kup s TYR 142 Cb 0.00 0.33 -0.00 0.00 0.35 0.00 0.00 41.96 42.63 2kup s TYR 142 CO 0.00 -0.62 0.03 0.99 -1.34 0.00 0.00 175.55 174.62 2kup s THR 143 N -2.20 0.05 0.23 4.34 2.01 -1.26 -5.17 115.64 113.63 2kup s THR 143 Ca -0.07 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 2kup s THR 143 Cb -0.01 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 2kup s THR 143 CO 0.00 -0.21 0.21 0.68 -0.69 0.00 0.00 174.62 174.61 2kup s VAL 144 N -0.65 0.00 0.11 3.82 -7.23 -1.26 -5.20 120.40 109.99 2kup s VAL 144 Ca -0.07 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 2kup s VAL 144 Cb -0.04 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.46 2kup s VAL 144 CO -0.00 0.00 0.35 -0.55 -0.31 0.00 0.00 175.10 174.59 2kup s SER 145 N -3.17 -0.15 0.00 4.85 0.15 -1.26 -5.38 113.70 108.73 2kup s SER 145 Ca 0.37 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2kup s SER 145 Cb 0.05 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2kup s SER 145 CO 0.14 -0.81 0.00 -0.24 1.20 0.00 0.00 173.24 173.53