#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 5.23 -0.28 1.61 0.15 -1.26 -5.11 113.70 114.04 2kup s SER 2 Ca 0.00 0.67 -0.04 0.00 0.70 0.00 0.00 55.95 57.27 2kup s SER 2 Cb 0.00 -1.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.98 2kup s SER 2 CO 0.00 -1.34 0.56 -0.44 1.20 0.00 0.00 173.24 173.22 2kup s SER 3 N -4.40 -0.93 -0.10 5.45 0.01 -1.26 -5.16 113.70 107.30 2kup s SER 3 Ca 0.57 0.97 -0.01 0.00 1.31 0.00 0.00 55.95 58.79 2kup s SER 3 Cb -0.11 1.94 -0.03 0.00 0.21 0.00 0.00 66.02 68.04 2kup s SER 3 CO 0.46 -0.25 -0.04 -0.83 0.41 0.00 0.00 173.24 172.99 2kup s GLY 4 N 2.79 1.75 -0.10 3.44 0.00 -1.26 -5.13 107.32 108.81 2kup s GLY 4 Ca 0.10 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 43.81 2kup s GLY 4 CO -0.19 -0.45 0.41 -0.56 0.00 0.00 0.00 173.10 172.32 2kup s SER 5 N -0.45 -0.38 0.08 1.64 0.01 -1.26 -5.16 113.70 108.17 2kup s SER 5 Ca 0.07 0.60 -0.26 0.00 1.31 0.00 0.00 55.95 57.68 2kup s SER 5 Cb -0.12 0.66 -0.06 0.00 0.21 0.00 0.00 66.02 66.71 2kup s SER 5 CO 0.02 -0.29 0.79 -0.94 0.41 0.00 0.00 173.24 173.23 2kup s SER 6 N -0.41 7.29 0.02 2.44 1.04 -1.26 -5.09 113.70 117.73 2kup s SER 6 Ca -0.05 1.53 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2kup s SER 6 Cb -0.03 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2kup s SER 6 CO 0.03 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2kup n GLY 7 N 2.17 1.82 2.80 7.32 0.00 -1.26 -5.14 105.19 112.90 2kup n GLY 7 Ca -0.03 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 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 0.82 0.05 0.99 1.43 -1.26 -5.04 118.68 115.67 2kup s LEU 8 Ca 0.00 -0.22 0.25 0.00 -1.03 0.00 0.00 54.13 53.12 2kup s LEU 8 Cb 0.00 -0.57 0.42 0.00 0.03 0.00 0.00 46.19 46.07 2kup s LEU 8 CO 0.00 -0.19 1.35 -3.20 0.23 0.00 0.00 176.35 174.55 2kup n ASN 9 N 5.08 0.57 -4.77 2.29 2.85 -1.26 -4.93 115.26 115.09 2kup n ASN 9 Ca -0.09 -0.10 -0.39 0.00 -0.11 0.00 0.00 54.58 53.90 2kup n ASN 9 Cb 0.50 0.26 -0.04 0.00 1.24 0.00 0.00 39.78 41.73 2kup n ASN 9 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kup s ARG 10 N -3.08 4.41 0.00 1.20 3.00 -1.26 -4.98 118.95 118.25 2kup s ARG 10 Ca 0.09 1.70 0.28 0.00 0.00 0.00 0.00 55.73 57.80 2kup s ARG 10 Cb 0.16 -2.91 0.99 0.00 0.00 0.00 0.00 34.95 33.19 2kup s ARG 10 CO 0.71 0.04 1.71 -0.25 0.00 0.00 0.00 175.30 177.51 2kup n ASP 11 N 0.64 1.60 -4.00 0.23 8.00 -1.26 -4.88 116.55 116.88 2kup n ASP 11 Ca 0.02 -1.53 -0.16 0.00 0.71 0.00 0.00 54.79 53.82 2kup n ASP 11 Cb 0.47 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.43 2kup n ASP 11 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kup s SER 12 N -2.00 0.78 0.12 -2.24 0.01 -1.26 -5.14 113.70 103.96 2kup s SER 12 Ca 0.37 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.13 2kup s SER 12 Cb 0.21 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 2kup s SER 12 CO 0.33 0.03 1.28 0.54 0.41 0.00 0.00 173.24 175.83 2kup s VAL 13 N -0.38 3.61 0.60 3.43 0.11 -1.26 -5.03 120.40 121.48 2kup s VAL 13 Ca 0.00 1.20 -0.15 0.00 -2.93 0.00 0.00 61.98 60.10 2kup s VAL 13 Cb -0.04 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.01 2kup s VAL 13 CO -0.00 0.12 1.05 -2.16 -3.33 0.00 0.00 175.10 170.78 2kup s PRO 14 N 0.73 3.32 0.00 1.54 0.04 -1.26 -4.96 135.00 134.41 2kup s PRO 14 Ca 0.60 1.14 0.13 0.00 0.04 0.00 0.00 61.00 62.90 2kup s PRO 14 Cb -0.33 -2.04 0.63 0.00 0.04 0.00 0.00 34.50 32.80 2kup s PRO 14 CO 0.32 -0.81 1.33 -0.25 0.04 0.00 0.00 177.00 177.63 2kup n ASP 15 N -2.18 0.00 -0.24 6.66 8.00 -1.26 -2.86 116.55 124.67 2kup n ASP 15 Ca 0.08 0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.81 2kup n ASP 15 Cb 0.53 -0.31 0.12 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.31 1.87 -4.65 -2.24 6.94 -1.26 -4.58 115.26 110.03 2kup n ASN 16 Ca 0.06 -2.98 -0.44 0.00 -0.02 0.00 0.00 54.58 51.19 2kup n ASN 16 Cb 0.11 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 2kup n ASN 16 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 2kup n HIS 17 N -1.12 1.93 0.64 -2.53 -0.00 -1.14 -4.90 115.22 108.10 2kup n HIS 17 Ca 0.14 0.55 0.07 0.00 0.46 0.00 0.00 57.72 58.94 2kup n HIS 17 Cb 0.67 -2.38 0.36 0.00 -0.12 0.00 0.00 29.99 28.51 2kup n HIS 17 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kup n PRO 18 N 1.25 0.12 0.00 1.57 -0.04 -1.26 -3.84 135.00 132.80 2kup n PRO 18 Ca 0.09 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2kup n PRO 18 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2kup n PRO 18 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kup n THR 19 N -1.38 0.00 -3.64 0.52 -2.24 -1.26 -4.97 114.28 101.30 2kup n THR 19 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 2kup n THR 19 Cb 0.15 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.05 2.79 -0.29 -0.78 3.01 -1.25 -3.63 119.74 118.54 2kup s LYS 20 Ca 0.00 -2.55 -0.19 0.00 -1.01 0.00 0.00 55.97 52.22 2kup s LYS 20 Cb 0.00 -3.87 -0.02 0.00 -1.01 0.00 0.00 37.83 32.93 2kup s LYS 20 CO 0.00 -1.20 0.58 -0.06 0.51 0.00 0.00 175.35 175.18 2kup s PHE 21 N -0.07 3.24 0.10 3.18 0.08 -0.22 -4.32 117.98 119.97 2kup s PHE 21 Ca 0.17 0.60 -0.30 0.00 0.12 0.00 0.00 56.93 57.53 2kup s PHE 21 Cb -0.18 -2.88 -0.06 0.00 -0.57 0.00 0.00 43.02 39.34 2kup s PHE 21 CO -0.04 -0.40 1.01 0.15 -0.10 0.00 0.00 175.22 175.84 2kup s LYS 22 N 2.48 4.63 0.14 0.44 1.02 -1.26 -0.55 119.74 126.64 2kup s LYS 22 Ca 0.23 1.53 -0.01 0.00 0.02 0.00 0.00 55.97 57.75 2kup s LYS 22 Cb -0.15 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2kup s LYS 22 CO 0.11 0.11 0.05 0.14 -0.92 0.00 0.00 175.35 174.83 2kup s VAL 23 N 0.20 0.19 -0.08 3.17 -7.23 0.11 -4.78 120.40 111.98 2kup s VAL 23 Ca 0.49 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 2kup s VAL 23 Cb -0.25 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.68 2kup s VAL 23 CO 0.31 -0.46 0.16 -0.89 -0.31 0.00 0.00 175.10 173.90 2kup s THR 24 N -3.99 -0.23 0.24 5.32 2.01 -1.03 -0.91 115.64 117.06 2kup s THR 24 Ca 0.24 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 2kup s THR 24 Cb 0.07 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 72.19 2kup s THR 24 CO 0.02 0.14 1.52 0.21 -0.69 0.00 0.00 174.62 175.81 2kup s ASN 25 N 2.10 6.56 0.16 3.53 2.47 -0.44 -0.82 114.94 128.50 2kup s ASN 25 Ca 0.01 2.73 0.10 0.00 0.42 0.00 0.00 52.86 56.12 2kup s ASN 25 Cb -0.12 -2.62 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 2kup s ASN 25 CO -0.06 -0.79 -0.22 0.68 -3.72 0.00 0.00 177.10 172.99 2kup s VAL 26 N 0.31 2.06 0.00 -5.21 -7.23 -0.02 -1.69 120.40 108.62 2kup s VAL 26 Ca 0.63 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2kup s VAL 26 Cb -0.44 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2kup s VAL 26 CO 0.41 -0.13 0.00 -0.90 -0.31 0.00 0.00 175.10 174.17 2kup n ASP 27 N 0.53 0.00 0.15 4.85 5.75 -1.05 -4.49 116.55 122.29 2kup n ASP 27 Ca -0.15 -0.97 0.05 0.00 -0.01 0.00 0.00 54.79 53.71 2kup n ASP 27 Cb 0.55 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.15 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 0.19 0.91 -1.12 3.04 -2.00 -2.14 116.42 115.30 2kup h ASP 28 Ca 0.00 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2kup h ASP 28 Cb 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 2kup h ASP 28 CO 0.00 0.21 -0.05 -0.62 -2.04 0.00 0.00 179.24 176.74 2kup n GLU 29 N -4.44 0.04 -1.01 4.15 -0.58 -1.26 -4.94 120.64 112.60 2kup n GLU 29 Ca -0.01 -0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2kup n GLU 29 Cb 0.14 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.48 0.47 3.83 0.62 0.00 -0.81 -5.05 105.19 105.73 2kup n GLY 30 Ca 0.07 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.98 4.44 -0.14 1.61 -7.23 -1.26 -4.75 120.40 111.08 2kup s VAL 31 Ca 0.00 1.40 -0.27 0.00 -1.81 0.00 0.00 61.98 61.31 2kup s VAL 31 Cb 0.00 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 2kup s VAL 31 CO 0.00 -0.33 0.89 -1.61 -0.31 0.00 0.00 175.10 173.73 2kup s GLU 32 N -3.23 4.35 -0.18 4.82 2.02 -1.26 -2.52 118.70 122.69 2kup s GLU 32 Ca 0.61 1.14 -0.13 0.00 0.02 0.00 0.00 54.97 56.61 2kup s GLU 32 Cb -0.09 -3.56 -0.08 0.00 0.10 0.00 0.00 34.13 30.51 2kup s GLU 32 CO 0.15 -0.31 -0.28 1.28 0.02 0.00 0.00 175.26 176.12 2kup n LEU 33 N 5.10 1.66 -3.68 1.80 4.77 -0.68 -5.03 117.00 120.93 2kup n LEU 33 Ca 0.06 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 2kup n LEU 33 Cb 0.49 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 2kup n LEU 33 CO 0.49 0.11 0.25 -0.83 -1.33 0.00 0.00 177.39 176.08 2kup s GLY 34 N -5.12 -0.43 0.39 -0.72 0.00 -1.25 -5.03 107.32 95.18 2kup s GLY 34 Ca -0.28 1.61 -0.13 0.00 0.00 0.00 0.00 44.72 45.93 2kup s GLY 34 CO 0.37 1.42 0.79 -1.35 0.00 0.00 0.00 173.10 174.33 2kup s SER 35 N 0.39 6.62 0.28 1.64 1.04 -1.26 -1.32 113.70 121.08 2kup s SER 35 Ca -0.01 1.24 -0.21 0.00 0.48 0.00 0.00 55.95 57.45 2kup s SER 35 Cb -0.04 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.75 2kup s SER 35 CO -0.00 -0.36 0.77 -0.83 0.98 0.00 0.00 173.24 173.79 2kup s GLY 36 N -2.85 -0.03 -0.19 7.32 0.00 -0.08 -4.70 107.32 106.78 2kup s GLY 36 Ca 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 2kup s GLY 36 CO 0.27 -0.06 -0.15 0.14 0.00 0.00 0.00 173.10 173.30 2kup s VAL 37 N -3.54 2.53 -0.02 1.40 1.01 0.06 -0.71 120.40 121.12 2kup s VAL 37 Ca 0.12 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 2kup s VAL 37 Cb -0.05 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2kup s VAL 37 CO 0.07 0.50 0.58 -0.32 0.00 0.00 0.00 175.10 175.94 2kup s MET 38 N 1.28 4.31 -0.05 2.72 1.75 0.29 -1.08 119.30 128.53 2kup s MET 38 Ca 0.04 0.70 0.01 0.00 -1.25 0.00 0.00 55.69 55.20 2kup s MET 38 Cb -0.14 -3.35 0.02 0.00 2.84 0.00 0.00 34.83 34.20 2kup s MET 38 CO -0.08 0.34 -0.06 -2.00 -0.65 0.00 0.00 175.02 172.56 2kup s GLU 39 N -0.08 1.02 -0.18 4.11 2.12 0.23 -1.06 118.70 124.87 2kup s GLU 39 Ca 0.31 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.40 2kup s GLU 39 Cb -0.18 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.23 2kup s GLU 39 CO 0.16 -0.04 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.33 2kup s LEU 40 N 0.80 3.40 0.36 2.70 1.02 -1.24 -0.89 118.68 124.82 2kup s LEU 40 Ca -0.12 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 53.97 2kup s LEU 40 Cb -0.14 -1.84 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 2kup s LEU 40 CO 0.01 0.14 0.07 0.42 0.02 0.00 0.00 176.35 177.01 2kup s THR 41 N 0.55 1.04 -2.00 5.49 -4.23 -1.03 -4.99 115.64 110.47 2kup s THR 41 Ca -0.01 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.63 2kup s THR 41 Cb -0.14 -2.65 0.36 0.00 1.34 0.00 0.00 72.50 71.41 2kup s THR 41 CO 0.02 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.30 2kup n GLN 42 N -0.78 0.57 -0.06 3.99 6.02 -1.26 -3.68 117.38 122.18 2kup n GLN 42 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.84 2kup n GLN 42 Cb 0.66 -1.34 -0.05 0.00 1.02 0.00 0.00 30.24 30.53 2kup n GLN 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kup n SER 43 N -0.84 1.88 -3.65 1.08 7.64 -1.26 -5.00 113.62 113.47 2kup n SER 43 Ca 0.09 0.06 0.01 0.00 1.01 0.00 0.00 58.87 60.04 2kup n SER 43 Cb 0.04 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2kup n SER 43 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kup s GLU 44 N -2.23 0.63 0.11 1.43 -1.05 -1.24 -4.40 118.70 111.94 2kup s GLU 44 Ca -0.17 -0.38 -0.22 0.00 -0.15 0.00 0.00 54.97 54.05 2kup s GLU 44 Cb 0.06 0.20 -0.07 0.00 -0.44 0.00 0.00 34.13 33.87 2kup s GLU 44 CO 0.25 -0.29 0.66 -0.51 0.95 0.00 0.00 175.26 176.31 2kup s LEU 45 N -3.25 4.55 -0.03 1.83 1.43 -0.83 -2.47 118.68 119.91 2kup s LEU 45 Ca 0.19 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 2kup s LEU 45 Cb 0.02 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.18 2kup s LEU 45 CO -0.01 0.24 -0.04 -0.69 0.23 0.00 0.00 176.35 176.07 2kup s VAL 46 N -1.08 0.49 -0.17 -1.59 1.01 -0.07 -1.58 120.40 117.41 2kup s VAL 46 Ca 0.32 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 2kup s VAL 46 Cb -0.21 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2kup s VAL 46 CO 0.22 0.20 0.05 -0.76 0.00 0.00 0.00 175.10 174.81 2kup s LEU 47 N 0.67 3.77 -0.18 3.92 1.43 0.37 -0.60 118.68 128.06 2kup s LEU 47 Ca -0.09 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2kup s LEU 47 Cb -0.12 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2kup s LEU 47 CO -0.00 0.20 0.04 -1.00 0.23 0.00 0.00 176.35 175.82 2kup s HIS 48 N 0.24 3.18 0.26 0.29 3.76 -0.24 -2.24 115.29 120.54 2kup s HIS 48 Ca 0.03 -0.05 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 2kup s HIS 48 Cb -0.12 -2.07 0.03 0.00 1.11 0.00 0.00 32.58 31.53 2kup s HIS 48 CO 0.01 0.07 0.75 -0.48 -0.85 0.00 0.00 174.74 174.23 2kup s LEU 49 N 0.48 -0.26 -0.01 0.89 2.34 -1.26 -0.76 118.68 120.10 2kup s LEU 49 Ca 0.02 -0.56 0.09 0.00 0.06 0.00 0.00 54.13 53.73 2kup s LEU 49 Cb -0.13 2.65 -0.13 0.00 -0.56 0.00 0.00 46.19 48.02 2kup s LEU 49 CO 0.01 -1.28 0.22 0.00 -1.06 0.00 0.00 176.35 174.24 2kup n HIS 50 N -0.46 0.00 0.15 3.48 1.44 -1.26 -4.69 115.22 113.88 2kup n HIS 50 Ca -0.05 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.68 2kup n HIS 50 Cb 0.59 -0.17 0.20 0.00 0.12 0.00 0.00 29.99 30.73 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 -4.53 -1.40 2.47 -1.99 -3.46 114.38 105.48 2kup h ARG 51 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 2kup h ARG 51 Cb 0.37 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.56 2kup h ARG 51 CO 0.00 0.54 -0.46 1.03 0.56 0.00 0.00 179.97 181.64 2kup s ARG 52 N -3.47 1.52 0.98 0.04 3.00 -1.26 -5.17 118.95 114.59 2kup s ARG 52 Ca -0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 55.73 53.88 2kup s ARG 52 Cb 0.11 0.33 0.18 0.00 0.00 0.00 0.00 34.95 35.58 2kup s ARG 52 CO 0.74 -0.56 1.11 -1.21 0.00 0.00 0.00 175.30 175.38 2kup s GLU 53 N -3.75 0.53 0.55 3.54 2.02 -1.26 -4.73 118.70 115.61 2kup s GLU 53 Ca 0.37 1.34 -0.20 0.00 0.02 0.00 0.00 54.97 56.49 2kup s GLU 53 Cb 0.04 -1.69 -0.06 0.00 0.10 0.00 0.00 34.13 32.52 2kup s GLU 53 CO 0.18 -2.89 1.09 0.00 0.02 0.00 0.00 175.26 173.66 2kup n ALA 54 N -4.40 0.59 -2.76 5.21 0.00 -1.26 -4.89 120.51 113.00 2kup n ALA 54 Ca 0.09 0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 2kup n ALA 54 Cb 0.53 -2.18 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 2kup n ALA 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kup s VAL 55 N -1.40 1.43 0.03 0.00 1.01 -0.95 -5.00 120.40 115.50 2kup s VAL 55 Ca 0.72 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2kup s VAL 55 Cb -0.44 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2kup s VAL 55 CO 0.49 0.41 -0.03 -0.13 0.00 0.00 0.00 175.10 175.84 2kup s ARG 56 N -0.11 0.39 -0.09 2.72 3.00 -1.26 -0.48 118.95 123.12 2kup s ARG 56 Ca -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 55.73 54.96 2kup s ARG 56 Cb -0.10 0.10 0.04 0.00 0.00 0.00 0.00 34.95 34.99 2kup s ARG 56 CO 0.01 -0.05 0.06 -1.58 0.00 0.00 0.00 175.30 173.74 2kup s TRP 57 N -1.94 0.22 0.46 -0.53 0.51 -0.61 -4.47 118.94 112.58 2kup s TRP 57 Ca -0.11 -0.01 -0.23 0.00 -2.12 0.00 0.00 56.10 53.62 2kup s TRP 57 Cb -0.06 -0.61 -0.07 0.00 -0.81 0.00 0.00 33.47 31.92 2kup s TRP 57 CO -0.03 -0.32 1.24 -1.25 -0.51 0.00 0.00 176.95 176.08 2kup s PRO 58 N 2.12 3.69 0.58 4.98 0.04 -1.26 -1.97 135.00 143.18 2kup s PRO 58 Ca 0.04 1.96 0.30 0.00 0.04 0.00 0.00 61.00 63.34 2kup s PRO 58 Cb -0.13 -2.47 1.80 0.00 0.04 0.00 0.00 34.50 33.74 2kup s PRO 58 CO -0.05 -0.66 2.23 1.88 0.04 0.00 0.00 177.00 180.44 2kup h TYR 59 N 2.10 0.00 -0.61 0.56 0.05 -1.96 -1.81 116.97 115.31 2kup h TYR 59 Ca -0.50 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.25 2kup h TYR 59 Cb 1.26 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.97 2kup h TYR 59 CO 0.52 0.02 0.27 -0.07 -1.05 0.00 0.00 178.16 177.84 2kup h LEU 60 N 0.00 0.82 0.00 3.88 -0.00 -1.94 -3.09 115.31 114.98 2kup h LEU 60 Ca -0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2kup h LEU 60 Cb 0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2kup h LEU 60 CO 0.00 0.74 0.00 0.00 -0.00 0.00 0.00 178.44 179.19 2kup s LEU 62 N -2.36 4.14 0.07 0.00 1.43 -1.17 -1.21 118.68 119.58 2kup s LEU 62 Ca 0.35 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 2kup s LEU 62 Cb 0.21 -2.89 -0.27 0.00 0.03 0.00 0.00 46.19 43.26 2kup s LEU 62 CO 0.42 -1.15 1.12 -0.09 0.23 0.00 0.00 176.35 176.89 2kup h ARG 63 N 9.22 0.52 -3.40 1.70 1.12 -1.64 -3.47 114.38 118.43 2kup h ARG 63 Ca -0.26 -0.73 -0.09 0.00 -1.11 0.00 0.00 59.98 57.79 2kup h ARG 63 Cb 1.08 0.25 -0.16 0.00 -0.01 0.00 0.00 29.97 31.12 2kup h ARG 63 CO 1.06 1.32 -0.27 -0.98 -3.11 0.00 0.00 179.97 178.00 2kup s ARG 64 N -2.90 0.82 -0.15 0.20 1.70 -1.25 -5.03 118.95 112.34 2kup s ARG 64 Ca -0.08 -0.59 -0.12 0.00 -0.47 0.00 0.00 55.73 54.47 2kup s ARG 64 Cb 0.06 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2kup s ARG 64 CO 0.92 -0.27 0.39 1.52 -1.08 0.00 0.00 175.30 176.78 2kup s TYR 65 N -2.81 -0.48 0.31 5.89 1.13 -1.26 -1.52 117.35 118.60 2kup s TYR 65 Ca -0.03 1.10 -0.16 0.00 -1.41 0.00 0.00 57.07 56.58 2kup s TYR 65 Cb 0.00 0.18 0.02 0.00 -1.10 0.00 0.00 41.96 41.06 2kup s TYR 65 CO -0.05 -0.25 0.66 0.20 -2.51 0.00 0.00 175.55 173.60 2kup s GLY 66 N 0.64 0.35 0.06 5.49 0.00 -0.66 -5.01 107.32 108.18 2kup s GLY 66 Ca -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 2kup s GLY 66 CO -0.04 -0.37 0.04 -2.52 0.00 0.00 0.00 173.10 170.21 2kup s TYR 67 N -3.42 0.40 0.18 1.90 1.13 -1.26 -2.09 117.35 114.19 2kup s TYR 67 Ca 0.17 -0.90 -0.02 0.00 -1.41 0.00 0.00 57.07 54.90 2kup s TYR 67 Cb -0.04 -0.28 0.01 0.00 -1.10 0.00 0.00 41.96 40.55 2kup s TYR 67 CO 0.10 -0.43 0.28 -3.47 -2.51 0.00 0.00 175.55 169.52 2kup n ASP 68 N 0.09 -0.78 -4.66 -0.18 -0.08 0.09 -5.00 116.55 106.04 2kup n ASP 68 Ca -0.15 -1.89 -0.42 0.00 -1.51 0.00 0.00 54.79 50.82 2kup n ASP 68 Cb 0.61 1.41 -0.03 0.00 2.34 0.00 0.00 41.12 45.45 2kup n ASP 68 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kup s SER 69 N -2.05 6.36 -1.14 1.67 0.15 -1.26 -2.69 113.70 114.74 2kup s SER 69 Ca 0.13 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.39 2kup s SER 69 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2kup s SER 69 CO 0.09 -1.13 0.00 -0.46 1.20 0.00 0.00 173.24 172.94 2kup n ASN 70 N 7.90 -3.08 -3.81 5.45 6.94 -1.26 -4.95 115.26 122.45 2kup n ASN 70 Ca 0.21 0.27 -0.16 0.00 -0.02 0.00 0.00 54.58 54.88 2kup n ASN 70 Cb 0.41 -2.88 -0.16 0.00 -2.36 0.00 0.00 39.78 34.79 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 -3.88 1.24 0.00 -4.53 1.98 -1.09 -1.12 118.68 111.28 2kup s LEU 71 Ca 0.00 -0.00 0.06 0.00 -2.89 0.00 0.00 54.13 51.30 2kup s LEU 71 Cb 0.00 -0.15 -0.02 0.00 0.66 0.00 0.00 46.19 46.69 2kup s LEU 71 CO 0.00 -0.10 -0.19 0.12 -1.89 0.00 0.00 176.35 174.30 2kup s PHE 72 N 0.90 1.66 0.15 5.38 5.36 -0.28 -0.73 117.98 130.42 2kup s PHE 72 Ca -0.08 -0.33 -0.16 0.00 -0.96 0.00 0.00 56.93 55.40 2kup s PHE 72 Cb -0.12 -1.04 0.03 0.00 -0.34 0.00 0.00 43.02 41.55 2kup s PHE 72 CO -0.02 -0.00 0.43 0.45 -1.46 0.00 0.00 175.22 174.62 2kup s SER 73 N -0.62 -0.22 0.03 6.13 0.15 -0.89 -0.44 113.70 117.84 2kup s SER 73 Ca 0.07 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.10 2kup s SER 73 Cb -0.07 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2kup s SER 73 CO -0.00 -0.92 0.46 0.72 1.20 0.00 0.00 173.24 174.69 2kup s PHE 74 N -3.84 -0.34 -0.15 3.44 -0.12 -1.15 -1.65 117.98 114.17 2kup s PHE 74 Ca 0.06 0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 57.31 2kup s PHE 74 Cb 0.01 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 2kup s PHE 74 CO -0.08 -0.58 -0.10 -2.00 -0.05 0.00 0.00 175.22 172.42 2kup s GLU 75 N -2.22 3.45 0.02 1.99 2.12 -0.58 -2.45 118.70 121.03 2kup s GLU 75 Ca -0.07 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.70 2kup s GLU 75 Cb -0.01 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 2kup s GLU 75 CO -0.00 0.17 -0.22 -1.54 -0.54 0.00 0.00 175.26 173.13 2kup s SER 76 N 0.49 2.61 0.64 -1.70 1.04 -1.13 -1.80 113.70 113.85 2kup s SER 76 Ca -0.07 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.73 2kup s SER 76 Cb -0.15 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 2kup s SER 76 CO 0.04 0.22 1.11 -0.83 0.98 0.00 0.00 173.24 174.76 2kup s GLY 77 N -0.89 2.22 0.26 7.32 0.00 -0.35 -3.85 107.32 112.03 2kup s GLY 77 Ca 0.08 0.58 0.19 0.00 0.00 0.00 0.00 44.72 45.58 2kup s GLY 77 CO 0.01 0.93 1.58 -0.96 0.00 0.00 0.00 173.10 174.66 2kup n ARG 78 N -2.27 0.13 0.14 2.90 1.85 -1.26 -2.80 116.66 115.34 2kup n ARG 78 Ca 0.10 0.58 0.12 0.00 -1.00 0.00 0.00 57.85 57.66 2kup n ARG 78 Cb 0.52 -1.88 0.22 0.00 -1.05 0.00 0.00 32.46 30.27 2kup n ARG 78 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 2kup h ARG 79 N 0.00 0.00 0.00 2.89 0.11 -1.90 -3.39 114.38 112.10 2kup h ARG 79 Ca 0.00 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.68 2kup h ARG 79 Cb 0.06 0.00 0.18 0.00 1.11 0.00 0.00 29.97 31.33 2kup h ARG 79 CO 0.00 0.00 0.26 0.00 0.10 0.00 0.00 179.97 180.33 2kup h GLN 81 N 0.00 0.86 0.00 0.00 4.15 -1.90 -2.84 115.11 115.37 2kup h GLN 81 Ca -0.41 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 58.85 2kup h GLN 81 Cb 1.19 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 2kup h GLN 81 CO 0.28 0.57 -1.82 0.25 -1.93 0.00 0.00 178.83 176.18 2kup n THR 82 N -4.53 0.61 -3.80 2.39 -2.24 -1.26 -5.02 114.28 100.42 2kup n THR 82 Ca 0.15 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2kup n THR 82 Cb 0.31 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.38 -1.56 3.71 3.38 0.00 -1.07 -4.90 105.19 106.12 2kup n GLY 83 Ca -0.11 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2kup n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kup s GLN 84 N 0.00 4.24 0.00 1.61 -2.07 -1.26 -4.60 119.66 117.57 2kup s GLN 84 Ca 0.00 2.29 0.00 0.00 -1.82 0.00 0.00 55.36 55.83 2kup s GLN 84 Cb 0.00 -3.26 0.00 0.00 -1.09 0.00 0.00 33.01 28.66 2kup s GLN 84 CO 0.00 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 173.79 2kup n GLY 85 N 3.74 1.10 3.29 2.60 0.00 -1.25 -5.02 105.19 109.64 2kup n GLY 85 Ca 0.14 -1.12 -0.32 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 2.16 -0.14 -0.61 1.01 -1.26 -2.82 121.20 117.54 2kup s ILE 86 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 2kup s ILE 86 Cb 0.00 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.72 2kup s ILE 86 CO 0.00 0.57 -0.07 -0.36 0.00 0.00 0.00 174.94 175.08 2kup s PHE 87 N -0.27 1.59 -0.01 3.97 0.08 -1.02 -5.03 117.98 117.29 2kup s PHE 87 Ca -0.00 -0.90 0.07 0.00 0.12 0.00 0.00 56.93 56.21 2kup s PHE 87 Cb -0.13 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2kup s PHE 87 CO 0.03 -0.56 -0.22 0.00 -0.10 0.00 0.00 175.22 174.37 2kup s ALA 88 N 1.67 2.37 -0.03 5.36 0.00 -1.26 -2.93 121.76 126.94 2kup s ALA 88 Ca 0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 2kup s ALA 88 Cb -0.14 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2kup s ALA 88 CO -0.08 0.54 0.01 -0.06 0.00 0.00 0.00 175.76 176.18 2kup s PHE 89 N -0.71 0.25 0.16 0.00 0.40 0.41 -0.84 117.98 117.65 2kup s PHE 89 Ca 0.11 0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 56.18 2kup s PHE 89 Cb -0.10 -0.42 -0.09 0.00 0.51 0.00 0.00 43.02 42.92 2kup s PHE 89 CO 0.01 -0.15 1.44 0.15 0.70 0.00 0.00 175.22 177.37 2kup s LYS 90 N 1.27 4.29 -0.30 0.44 1.02 -0.00 -1.13 119.74 125.33 2kup s LYS 90 Ca -0.06 2.18 -0.14 0.00 0.02 0.00 0.00 55.97 57.97 2kup s LYS 90 Cb -0.13 -3.20 0.17 0.00 -0.52 0.00 0.00 37.83 34.15 2kup s LYS 90 CO -0.02 -0.46 0.97 0.00 -0.92 0.00 0.00 175.35 174.91 2kup n SER 92 N 5.06 0.00 -1.04 0.00 2.88 -1.26 -2.81 113.62 116.45 2kup n SER 92 Ca -0.09 0.29 0.09 0.00 -1.33 0.00 0.00 58.87 57.84 2kup n SER 92 Cb 0.52 -0.40 0.24 0.00 -0.75 0.00 0.00 64.21 63.82 2kup n SER 92 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kup n ARG 93 N -1.40 2.73 -0.34 -1.46 3.00 -1.26 -4.78 116.66 113.14 2kup n ARG 93 Ca 0.06 -2.36 0.20 0.00 -0.00 0.00 0.00 57.85 55.74 2kup n ARG 93 Cb 0.17 -1.44 0.44 0.00 0.00 0.00 0.00 32.46 31.63 2kup n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kup h ALA 94 N 3.35 1.98 -0.32 5.13 0.00 -1.84 -1.08 119.26 126.49 2kup h ALA 94 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kup h ALA 94 Cb 0.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2kup h ALA 94 CO 0.00 -0.44 -0.20 1.49 0.00 0.00 0.00 179.25 180.10 2kup h GLU 95 N 0.50 0.60 -0.38 0.00 4.81 -1.86 -0.94 114.58 117.31 2kup h GLU 95 Ca 0.63 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.52 2kup h GLU 95 Cb 1.37 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2kup h GLU 95 CO -0.41 0.76 -0.28 0.93 -0.73 0.00 0.00 179.01 179.29 2kup h GLU 96 N 0.54 0.79 -0.44 1.92 5.08 -1.58 -0.92 114.58 119.96 2kup h GLU 96 Ca 0.08 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2kup h GLU 96 Cb 0.64 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2kup h GLU 96 CO 0.05 0.97 0.24 0.82 -1.00 0.00 0.00 179.01 180.09 2kup h ILE 97 N 0.68 1.15 -0.59 3.13 2.04 -1.24 -0.44 117.51 122.24 2kup h ILE 97 Ca 0.08 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2kup h ILE 97 Cb 0.81 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2kup h ILE 97 CO 0.07 0.16 0.27 0.15 0.00 0.00 0.00 178.15 178.80 2kup h PHE 98 N 0.57 0.87 -0.14 1.37 3.57 -1.02 0.27 116.94 122.42 2kup h PHE 98 Ca 0.15 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 2kup h PHE 98 Cb 0.04 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2kup h PHE 98 CO -0.02 0.67 -0.49 -0.91 -2.23 0.00 0.00 178.31 175.33 2kup h ASN 99 N 0.81 0.40 0.67 0.41 2.35 -1.04 -3.01 115.58 116.16 2kup h ASN 99 Ca 0.20 -0.19 -0.25 0.00 -0.55 0.00 0.00 56.30 55.51 2kup h ASN 99 Cb 0.14 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2kup h ASN 99 CO -0.02 0.82 -1.14 0.25 -1.65 0.00 0.00 177.43 175.69 2kup h LEU 100 N 0.29 0.34 0.26 1.61 6.46 -0.90 -3.22 115.31 120.16 2kup h LEU 100 Ca 0.01 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2kup h LEU 100 Cb 0.97 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 2kup h LEU 100 CO 0.08 1.25 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.79 2kup h LEU 101 N 0.08 -0.77 -2.67 2.25 3.38 -0.94 -2.39 115.31 114.24 2kup h LEU 101 Ca -0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kup h LEU 101 Cb 1.85 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.87 2kup h LEU 101 CO 0.18 -0.41 -0.01 0.06 0.09 0.00 0.00 178.44 178.36 2kup h GLN 102 N -0.59 0.00 0.00 1.13 3.07 -1.63 0.14 115.11 117.23 2kup h GLN 102 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 2kup h GLN 102 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 2kup h GLN 102 CO -0.07 0.01 -0.16 -0.44 0.09 0.00 0.00 178.83 178.25 2kup h ASP 103 N 0.00 0.00 0.05 0.06 3.32 -1.45 -3.18 116.42 115.22 2kup h ASP 103 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2kup h ASP 103 Cb 0.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 2kup h ASP 103 CO 0.00 0.01 -2.33 0.18 -1.72 0.00 0.00 179.24 175.38 2kup n LEU 104 N -3.04 1.76 -0.01 1.55 4.77 -0.35 -4.06 117.00 117.61 2kup n LEU 104 Ca 0.03 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2kup n LEU 104 Cb 0.54 -0.37 0.45 0.00 -2.33 0.00 0.00 43.42 41.71 2kup n LEU 104 CO 0.35 0.74 1.17 0.24 -1.33 0.00 0.00 177.39 178.55 2kup h MET 105 N 0.01 0.49 -0.00 3.23 2.86 -0.92 -1.16 114.93 119.43 2kup h MET 105 Ca -0.53 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2kup h MET 105 Cb 2.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.59 2kup h MET 105 CO -0.02 0.32 -0.14 0.00 1.06 0.00 0.00 176.91 178.14 2kup n GLN 106 N -4.48 0.15 -0.01 1.72 10.64 -1.20 -4.17 117.38 120.03 2kup n GLN 106 Ca 0.05 -0.04 0.14 0.00 -1.83 0.00 0.00 57.00 55.32 2kup n GLN 106 Cb 0.14 -1.50 0.60 0.00 -0.86 0.00 0.00 30.24 28.62 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 -1.94 2.94 -0.89 0.00 2.20 -1.26 -4.96 114.94 111.03 2kup s ASN 108 Ca 0.39 0.90 -0.24 0.00 -0.94 0.00 0.00 52.86 52.96 2kup s ASN 108 Cb 0.21 -1.40 -0.00 0.00 -2.00 0.00 0.00 41.25 38.05 2kup s ASN 108 CO 0.33 -2.90 1.70 -0.94 -2.94 0.00 0.00 177.10 172.36 2kup s SER 109 N -3.98 5.72 -1.30 3.54 1.04 -1.26 -4.92 113.70 112.54 2kup s SER 109 Ca 0.66 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 2kup s SER 109 Cb -0.14 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.44 2kup s SER 109 CO 0.54 -2.19 2.01 -0.38 0.98 0.00 0.00 173.24 174.20 2kup n ILE 110 N 7.32 3.31 0.00 -1.02 2.08 -1.26 -4.56 119.36 125.23 2kup n ILE 110 Ca 0.32 -3.14 0.00 0.00 0.56 0.00 0.00 62.75 60.49 2kup n ILE 110 Cb 0.49 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 2kup n ILE 110 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2kup n ASN 111 N 7.69 0.00 0.16 4.38 3.02 -1.26 -4.77 115.26 124.48 2kup n ASN 111 Ca 0.50 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 55.16 2kup n ASN 111 Cb 0.42 -0.94 0.57 0.00 -0.61 0.00 0.00 39.78 39.21 2kup n ASN 111 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2kup n VAL 112 N -1.56 1.00 -3.88 2.41 0.24 -1.26 -4.62 118.33 110.66 2kup n VAL 112 Ca 0.00 0.74 -0.12 0.00 -2.04 0.00 0.00 64.34 62.92 2kup n VAL 112 Cb 0.00 -1.74 -0.13 0.00 -1.47 0.00 0.00 33.84 30.50 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 -3.53 0.09 -0.12 7.34 -1.94 -1.26 -5.16 119.30 114.72 2kup s MET 113 Ca -0.02 -0.08 -0.15 0.00 -1.71 0.00 0.00 55.69 53.73 2kup s MET 113 Cb 0.06 0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.89 2kup s MET 113 CO 0.19 -0.01 0.36 -1.83 -0.01 0.00 0.00 175.02 173.71 2kup s GLU 114 N -0.26 4.19 -0.05 2.03 1.03 -1.26 -4.98 118.70 119.41 2kup s GLU 114 Ca -0.03 0.24 -0.28 0.00 0.03 0.00 0.00 54.97 54.93 2kup s GLU 114 Cb -0.02 -3.39 0.06 0.00 -0.80 0.00 0.00 34.13 29.99 2kup s GLU 114 CO -0.00 0.31 0.62 -1.83 -1.33 0.00 0.00 175.26 173.03 2kup s GLU 115 N 0.21 0.99 0.46 -4.83 -1.05 -1.26 -5.17 118.70 108.05 2kup s GLU 115 Ca 0.20 0.21 -0.22 0.00 -0.15 0.00 0.00 54.97 55.01 2kup s GLU 115 Cb -0.14 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 2kup s GLU 115 CO 0.07 -0.30 1.07 -1.25 0.95 0.00 0.00 175.26 175.80 2kup s PRO 116 N -1.17 3.86 -0.18 -4.83 0.04 -1.26 -5.06 135.00 126.39 2kup s PRO 116 Ca -0.11 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2kup s PRO 116 Cb -0.01 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 2kup s PRO 116 CO 0.09 -0.40 -0.05 0.54 0.04 0.00 0.00 177.00 177.22 2kup s VAL 117 N -1.80 3.57 0.27 -0.36 0.11 -1.26 -5.12 120.40 115.80 2kup s VAL 117 Ca 0.64 -0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 2kup s VAL 117 Cb -0.20 -2.58 -0.09 0.00 -1.53 0.00 0.00 36.38 31.97 2kup s VAL 117 CO 0.25 0.46 0.85 -0.63 -3.33 0.00 0.00 175.10 172.69 2kup s ILE 118 N 0.89 4.35 -0.18 7.04 -1.09 -1.26 -5.07 121.20 125.88 2kup s ILE 118 Ca -0.01 1.63 -0.09 0.00 -2.23 0.00 0.00 60.65 59.95 2kup s ILE 118 Cb -0.15 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 2kup s ILE 118 CO 0.01 0.22 0.11 0.27 -1.23 0.00 0.00 174.94 174.33 2kup s ILE 119 N -1.51 5.26 0.01 2.92 -4.36 -1.26 -5.10 121.20 117.16 2kup s ILE 119 Ca 0.46 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.98 2kup s ILE 119 Cb -0.19 -3.38 -0.01 0.00 1.25 0.00 0.00 42.46 40.14 2kup s ILE 119 CO 0.23 0.48 -0.01 0.42 0.24 0.00 0.00 174.94 176.30 2kup s THR 120 N 0.12 0.06 -0.31 8.37 -4.23 -1.26 -5.13 115.64 113.25 2kup s THR 120 Ca 0.08 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2kup s THR 120 Cb -0.11 -0.10 0.19 0.00 1.34 0.00 0.00 72.50 73.82 2kup s THR 120 CO -0.01 -0.13 0.78 -0.60 -0.54 0.00 0.00 174.62 174.13 2kup s ARG 121 N -0.40 0.43 -0.63 3.99 3.00 -1.25 -4.83 118.95 119.25 2kup s ARG 121 Ca -0.04 0.26 0.06 0.00 -1.00 0.00 0.00 55.73 55.00 2kup s ARG 121 Cb -0.03 0.15 0.23 0.00 0.00 0.00 0.00 34.95 35.31 2kup s ARG 121 CO -0.00 -0.75 0.68 -1.71 0.00 0.00 0.00 175.30 173.52 2kup n ASN 122 N 5.03 3.26 -3.58 -2.12 5.15 -1.24 -5.04 115.26 116.72 2kup n ASN 122 Ca 0.07 -3.32 -0.05 0.00 -0.60 0.00 0.00 54.58 50.68 2kup n ASN 122 Cb 0.56 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 39.12 2kup n ASN 122 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kup s SER 123 N -2.15 -0.23 0.38 1.20 1.04 -1.26 -4.83 113.70 107.85 2kup s SER 123 Ca 0.37 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.49 2kup s SER 123 Cb 0.12 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 2kup s SER 123 CO -0.05 -0.49 1.00 -1.38 0.98 0.00 0.00 173.24 173.30 2kup s HIS 124 N -2.83 3.40 0.36 5.02 -3.43 -1.26 -5.07 115.29 111.48 2kup s HIS 124 Ca 0.08 1.68 -0.25 0.00 -0.80 0.00 0.00 55.06 55.77 2kup s HIS 124 Cb -0.00 -3.02 -0.09 0.00 -1.43 0.00 0.00 32.58 28.04 2kup s HIS 124 CO -0.05 -0.29 1.04 -1.25 -2.00 0.00 0.00 174.74 172.18 2kup s PRO 125 N -2.49 4.33 -0.23 -0.38 0.04 -1.26 -5.07 135.00 129.94 2kup s PRO 125 Ca 0.56 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 2kup s PRO 125 Cb -0.19 -2.71 0.10 0.00 0.04 0.00 0.00 34.50 31.75 2kup s PRO 125 CO 0.24 0.01 0.91 0.00 0.04 0.00 0.00 177.00 178.19 2kup s ALA 126 N -1.56 -1.90 0.06 8.56 0.00 -1.26 -5.19 121.76 120.47 2kup s ALA 126 Ca 0.54 1.81 -0.07 0.00 0.00 0.00 0.00 51.96 54.24 2kup s ALA 126 Cb -0.23 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 2kup s ALA 126 CO 0.29 -0.29 0.14 -1.21 0.00 0.00 0.00 175.76 174.69 2kup s GLU 127 N -0.10 0.73 -0.09 0.00 0.41 -1.26 -5.18 118.70 113.21 2kup s GLU 127 Ca 0.00 -0.90 -0.18 0.00 -0.41 0.00 0.00 54.97 53.48 2kup s GLU 127 Cb -0.04 0.29 0.04 0.00 -1.78 0.00 0.00 34.13 32.64 2kup s GLU 127 CO -0.01 -0.21 0.43 -1.17 -0.49 0.00 0.00 175.26 173.81 2kup s LEU 128 N -2.58 0.37 0.26 1.80 2.96 -1.26 -5.15 118.68 115.07 2kup s LEU 128 Ca 0.01 0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 54.16 2kup s LEU 128 Cb 0.03 1.59 -0.11 0.00 0.50 0.00 0.00 46.19 48.20 2kup s LEU 128 CO -0.08 -0.35 1.53 -0.62 -1.32 0.00 0.00 176.35 175.51 2kup s ASP 129 N -0.64 6.52 0.31 3.68 2.15 -1.26 -5.03 116.67 122.40 2kup s ASP 129 Ca -0.07 2.79 -0.08 0.00 0.43 0.00 0.00 52.55 55.61 2kup s ASP 129 Cb -0.03 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.90 2kup s ASP 129 CO 0.04 -0.82 0.63 -1.48 -0.17 0.00 0.00 175.17 173.37 2kup s LEU 130 N -0.20 4.01 -0.71 -1.34 -0.00 -1.26 -5.02 118.68 114.16 2kup s LEU 130 Ca 0.63 0.93 -0.27 0.00 -0.00 0.00 0.00 54.13 55.42 2kup s LEU 130 Cb -0.45 -3.76 0.02 0.00 -0.00 0.00 0.00 46.19 42.00 2kup s LEU 130 CO 0.43 -0.23 1.44 -2.16 -0.00 0.00 0.00 176.35 175.83 2kup s PRO 131 N -3.43 3.05 0.81 1.48 0.04 -1.26 -5.00 135.00 130.68 2kup s PRO 131 Ca 0.48 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.37 2kup s PRO 131 Cb -0.11 -4.26 0.08 0.00 0.04 0.00 0.00 34.50 30.25 2kup s PRO 131 CO 0.27 -2.31 1.09 -0.98 0.04 0.00 0.00 177.00 175.11 2kup s ARG 132 N 6.07 1.97 0.01 4.56 3.03 -1.26 -5.11 118.95 128.22 2kup s ARG 132 Ca 0.44 0.79 -0.08 0.00 2.03 0.00 0.00 55.73 58.90 2kup s ARG 132 Cb -0.09 -1.89 0.00 0.00 -1.03 0.00 0.00 34.95 31.94 2kup s ARG 132 CO 0.16 -1.74 0.16 0.00 -1.13 0.00 0.00 175.30 172.75 2kup s ALA 133 N -3.05 -0.38 1.02 7.88 0.00 -1.26 -5.18 121.76 120.79 2kup s ALA 133 Ca 0.61 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 2kup s ALA 133 Cb -0.16 0.13 0.20 0.00 0.00 0.00 0.00 23.12 23.30 2kup s ALA 133 CO 0.55 -0.24 1.20 -1.25 0.00 0.00 0.00 175.76 176.03 2kup s PRO 134 N -1.56 0.26 0.04 0.00 0.04 -1.26 -5.11 135.00 127.41 2kup s PRO 134 Ca -0.13 -0.09 0.04 0.00 0.04 0.00 0.00 61.00 60.86 2kup s PRO 134 Cb -0.06 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2kup s PRO 134 CO 0.01 -2.72 -0.13 -0.65 0.04 0.00 0.00 177.00 173.56 2kup s GLN 135 N -5.56 0.81 0.33 4.56 -0.21 -1.26 -5.15 119.66 113.18 2kup s GLN 135 Ca 0.70 -0.76 -0.28 0.00 0.02 0.00 0.00 55.36 55.03 2kup s GLN 135 Cb -0.09 -0.78 -0.09 0.00 1.00 0.00 0.00 33.01 33.04 2kup s GLN 135 CO 0.54 0.19 1.17 -1.25 -2.12 0.00 0.00 175.29 173.82 2kup s PRO 136 N -1.27 4.39 0.90 2.91 0.04 -1.26 -5.04 135.00 135.66 2kup s PRO 136 Ca -0.01 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 2kup s PRO 136 Cb -0.08 -3.00 0.13 0.00 0.04 0.00 0.00 34.50 31.59 2kup s PRO 136 CO 0.01 -0.05 1.18 -1.25 0.04 0.00 0.00 177.00 176.94 2kup s PRO 137 N -1.80 1.24 -0.11 0.56 0.04 -1.26 -5.12 135.00 128.56 2kup s PRO 137 Ca 0.49 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 2kup s PRO 137 Cb -0.33 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.38 2kup s PRO 137 CO 0.43 -2.09 0.46 1.21 0.04 0.00 0.00 177.00 177.05 2kup s ASN 138 N -4.37 -0.43 0.30 6.66 3.84 -1.26 -5.18 114.94 114.50 2kup s ASN 138 Ca 0.65 0.65 -0.15 0.00 0.21 0.00 0.00 52.86 54.22 2kup s ASN 138 Cb -0.11 0.69 0.02 0.00 -0.55 0.00 0.00 41.25 41.30 2kup s ASN 138 CO 0.52 -0.33 0.64 0.00 -2.79 0.00 0.00 177.10 175.14 2kup s ALA 139 N -0.49 -0.59 -0.10 1.71 0.00 -1.26 -5.19 121.76 115.84 2kup s ALA 139 Ca -0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 2kup s ALA 139 Cb -0.03 0.91 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2kup s ALA 139 CO 0.03 -0.94 0.24 -1.17 0.00 0.00 0.00 175.76 173.92 2kup s LEU 140 N -3.02 0.56 0.16 0.00 0.20 -1.26 -5.17 118.68 110.15 2kup s LEU 140 Ca 0.18 0.51 0.04 0.00 0.69 0.00 0.00 54.13 55.55 2kup s LEU 140 Cb -0.04 0.75 -0.04 0.00 -0.43 0.00 0.00 46.19 46.44 2kup s LEU 140 CO 0.10 -0.15 0.23 -0.83 -0.29 0.00 0.00 176.35 175.42 2kup s GLY 141 N 1.01 1.68 0.16 7.98 0.00 -1.26 -5.14 107.32 111.76 2kup s GLY 141 Ca -0.07 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.31 2kup s GLY 141 CO -0.07 -1.12 0.59 -0.47 0.00 0.00 0.00 173.10 172.03 2kup s TYR 142 N -1.77 -0.50 0.28 1.90 5.04 -1.26 -5.20 117.35 115.85 2kup s TYR 142 Ca 0.33 0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 55.07 2kup s TYR 142 Cb -0.11 0.55 0.01 0.00 0.35 0.00 0.00 41.96 42.76 2kup s TYR 142 CO 0.27 -0.86 0.60 -0.08 -1.34 0.00 0.00 175.55 174.14 2kup s THR 143 N -3.76 0.00 0.27 4.34 -1.32 -1.26 -5.20 115.64 108.71 2kup s THR 143 Ca 0.02 -1.23 -0.10 0.00 -1.21 0.00 0.00 61.69 59.17 2kup s THR 143 Cb -0.01 -2.23 -0.00 0.00 -1.51 0.00 0.00 72.50 68.75 2kup s THR 143 CO -0.12 0.00 0.46 0.68 -2.21 0.00 0.00 174.62 173.43 2kup s VAL 144 N -3.74 0.00 0.15 5.08 -7.23 -1.26 -5.20 120.40 108.19 2kup s VAL 144 Ca 0.18 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 2kup s VAL 144 Cb -0.03 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2kup s VAL 144 CO 0.09 0.00 0.40 -0.55 -0.31 0.00 0.00 175.10 174.74 2kup s SER 145 N -3.07 -0.18 0.00 4.85 0.15 -1.26 -5.40 113.70 108.79 2kup s SER 145 Ca 0.25 -0.46 0.32 0.00 0.70 0.00 0.00 55.95 56.76 2kup s SER 145 Cb -0.00 0.49 1.83 0.00 -1.71 0.00 0.00 66.02 66.62 2kup s SER 145 CO 0.11 -0.90 2.18 -1.54 1.20 0.00 0.00 173.24 174.29