#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 0.13 1.61 1.04 -1.26 -5.20 113.70 109.86 2kup s SER 2 Ca 0.00 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.02 2kup s SER 2 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2kup s SER 2 CO 0.00 -0.95 -0.09 -0.44 0.98 0.00 0.00 173.24 172.74 2kup s SER 3 N -2.98 1.63 0.00 7.02 0.01 -1.26 -5.01 113.70 113.11 2kup s SER 3 Ca 0.13 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2kup s SER 3 Cb -0.02 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2kup s SER 3 CO 0.03 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2kup n GLY 4 N -0.10 0.11 3.77 3.44 0.00 -1.26 -5.15 105.19 105.99 2kup n GLY 4 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 5.77 -0.08 1.61 0.15 -1.26 -5.07 113.70 114.81 2kup s SER 5 Ca 0.00 2.24 -0.30 0.00 0.70 0.00 0.00 55.95 58.59 2kup s SER 5 Cb 0.00 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2kup s SER 5 CO 0.00 -1.19 0.71 -0.55 1.20 0.00 0.00 173.24 173.40 2kup s SER 6 N -1.64 -0.65 -0.44 5.45 0.15 -1.26 -5.13 113.70 110.18 2kup s SER 6 Ca 0.71 0.79 -0.29 0.00 0.70 0.00 0.00 55.95 57.86 2kup s SER 6 Cb -0.26 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 2kup s SER 6 CO 0.30 -0.55 1.17 -0.83 1.20 0.00 0.00 173.24 174.53 2kup s GLY 7 N -0.98 1.31 -0.04 9.45 0.00 -1.26 -5.01 107.32 110.79 2kup s GLY 7 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2kup s GLY 7 CO 0.08 2.45 -0.00 1.08 0.00 0.00 0.00 173.10 176.71 2kup s LEU 8 N 4.47 1.06 0.10 0.66 1.43 -1.26 -5.15 118.68 119.99 2kup s LEU 8 Ca 0.50 -0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 53.30 2kup s LEU 8 Cb -0.09 -0.28 0.08 0.00 0.03 0.00 0.00 46.19 45.93 2kup s LEU 8 CO 0.29 -0.11 0.75 0.54 0.23 0.00 0.00 176.35 178.05 2kup s ASN 9 N 1.19 -0.43 0.23 2.29 4.22 -1.26 -5.18 114.94 116.00 2kup s ASN 9 Ca -0.07 -0.08 -0.14 0.00 -2.14 0.00 0.00 52.86 50.43 2kup s ASN 9 Cb -0.13 0.52 -0.08 0.00 1.28 0.00 0.00 41.25 42.83 2kup s ASN 9 CO -0.02 -0.86 0.62 -0.13 -2.04 0.00 0.00 177.10 174.68 2kup s ARG 10 N -3.48 3.97 0.00 3.55 0.52 -1.26 -5.00 118.95 117.25 2kup s ARG 10 Ca 0.04 0.52 0.29 0.00 -0.52 0.00 0.00 55.73 56.07 2kup s ARG 10 Cb -0.01 -2.70 1.38 0.00 0.52 0.00 0.00 34.95 34.13 2kup s ARG 10 CO -0.09 0.33 1.93 -0.25 0.02 0.00 0.00 175.30 177.25 2kup n ASP 11 N 0.18 0.67 -3.88 0.23 8.00 -1.26 -4.78 116.55 115.71 2kup n ASP 11 Ca -0.01 -1.03 -0.11 0.00 0.71 0.00 0.00 54.79 54.36 2kup n ASP 11 Cb 0.52 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.49 2kup n ASP 11 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kup s SER 12 N -2.17 0.03 -0.17 -2.24 0.15 -1.26 -5.16 113.70 102.89 2kup s SER 12 Ca 0.38 -0.11 -0.22 0.00 0.70 0.00 0.00 55.95 56.70 2kup s SER 12 Cb 0.21 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2kup s SER 12 CO 0.40 -0.21 0.67 0.54 1.20 0.00 0.00 173.24 175.83 2kup s VAL 13 N -0.78 5.01 0.77 4.45 0.11 -1.26 -5.07 120.40 123.63 2kup s VAL 13 Ca -0.09 1.29 -0.11 0.00 -2.93 0.00 0.00 61.98 60.14 2kup s VAL 13 Cb -0.05 -3.98 0.06 0.00 -1.53 0.00 0.00 36.38 30.87 2kup s VAL 13 CO 0.00 0.13 1.10 -2.16 -3.33 0.00 0.00 175.10 170.84 2kup s PRO 14 N 1.70 2.28 0.00 1.54 0.04 -1.26 -4.96 135.00 134.34 2kup s PRO 14 Ca 0.31 0.59 0.11 0.00 0.04 0.00 0.00 61.00 62.05 2kup s PRO 14 Cb -0.16 -1.95 0.64 0.00 0.04 0.00 0.00 34.50 33.07 2kup s PRO 14 CO 0.12 -1.47 1.20 -0.40 0.04 0.00 0.00 177.00 176.48 2kup n ASP 15 N -3.32 0.00 -0.05 6.66 5.75 -1.26 -3.35 116.55 120.98 2kup n ASP 15 Ca 0.07 -1.11 0.01 0.00 -0.01 0.00 0.00 54.79 53.75 2kup n ASP 15 Cb 0.57 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.67 2kup n ASP 15 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2kup n ASN 16 N -0.73 1.03 -4.65 -1.12 3.02 -1.26 -4.73 115.26 106.81 2kup n ASN 16 Ca 0.08 -1.68 -0.40 0.00 -0.03 0.00 0.00 54.58 52.55 2kup n ASN 16 Cb 0.04 -0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.18 2kup n ASN 16 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2kup n HIS 17 N -0.33 1.44 0.42 3.10 -0.00 -1.21 -4.93 115.22 113.71 2kup n HIS 17 Ca 0.01 0.50 0.12 0.00 0.46 0.00 0.00 57.72 58.81 2kup n HIS 17 Cb 0.43 -2.26 0.48 0.00 -0.12 0.00 0.00 29.99 28.52 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 -0.26 0.20 0.00 1.57 -0.04 -1.26 -4.02 135.00 131.19 2kup n PRO 18 Ca 0.10 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2kup n PRO 18 Cb 0.42 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.25 0.00 -4.18 0.52 -2.24 -1.26 -5.05 114.28 99.82 2kup n THR 19 Ca 0.02 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2kup n THR 19 Cb 0.25 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.84 3.09 -0.20 -0.78 3.01 -1.26 -3.81 119.74 118.96 2kup s LYS 20 Ca 0.00 -0.39 -0.04 0.00 -1.01 0.00 0.00 55.97 54.53 2kup s LYS 20 Cb 0.00 -2.89 0.08 0.00 -1.01 0.00 0.00 37.83 34.01 2kup s LYS 20 CO 0.00 0.70 0.14 -0.06 0.51 0.00 0.00 175.35 176.64 2kup s PHE 21 N -1.03 0.05 0.43 3.18 0.08 -0.29 -3.87 117.98 116.54 2kup s PHE 21 Ca 0.17 -0.23 -0.24 0.00 0.12 0.00 0.00 56.93 56.75 2kup s PHE 21 Cb -0.12 -0.62 -0.08 0.00 -0.57 0.00 0.00 43.02 41.64 2kup s PHE 21 CO 0.07 -0.59 1.17 0.15 -0.10 0.00 0.00 175.22 175.92 2kup s LYS 22 N 2.20 3.88 0.05 0.44 3.01 -1.26 -0.51 119.74 127.55 2kup s LYS 22 Ca 0.05 1.81 -0.06 0.00 -1.01 0.00 0.00 55.97 56.76 2kup s LYS 22 Cb -0.16 -2.52 -0.01 0.00 -1.01 0.00 0.00 37.83 34.13 2kup s LYS 22 CO -0.14 -0.46 0.11 0.14 0.51 0.00 0.00 175.35 175.51 2kup s VAL 23 N -1.49 0.14 -0.14 3.17 -7.23 -0.16 -4.75 120.40 109.94 2kup s VAL 23 Ca 0.61 -1.18 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2kup s VAL 23 Cb -0.30 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.60 2kup s VAL 23 CO 0.37 -0.65 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.61 2kup s THR 24 N -3.07 0.68 0.22 5.32 2.01 -0.90 -0.98 115.64 118.93 2kup s THR 24 Ca -0.01 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2kup s THR 24 Cb 0.01 -0.96 -0.10 0.00 0.01 0.00 0.00 72.50 71.47 2kup s THR 24 CO -0.07 0.07 1.47 0.21 -0.69 0.00 0.00 174.62 175.61 2kup s ASN 25 N 1.82 6.64 0.14 3.53 3.84 -0.32 -0.66 114.94 129.93 2kup s ASN 25 Ca 0.02 2.64 0.07 0.00 0.21 0.00 0.00 52.86 55.80 2kup s ASN 25 Cb -0.15 -2.61 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2kup s ASN 25 CO -0.07 -0.73 -0.17 0.68 -2.79 0.00 0.00 177.10 174.02 2kup s VAL 26 N 0.34 1.60 0.00 -5.21 -7.23 -0.31 -1.66 120.40 107.93 2kup s VAL 26 Ca 0.62 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2kup s VAL 26 Cb -0.42 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2kup s VAL 26 CO 0.40 -0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 173.95 2kup n ASP 27 N 0.47 0.00 0.10 4.85 5.75 -1.07 -4.49 116.55 122.16 2kup n ASP 27 Ca -0.15 -0.75 0.02 0.00 -0.01 0.00 0.00 54.79 53.91 2kup n ASP 27 Cb 0.57 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.05 2kup n ASP 27 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kup h ASP 28 N 0.00 0.26 0.89 -1.12 3.58 -2.00 -2.26 116.42 115.77 2kup h ASP 28 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kup h ASP 28 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2kup h ASP 28 CO 0.00 0.39 0.00 -0.62 -2.88 0.00 0.00 179.24 176.13 2kup n GLU 29 N -4.30 0.09 -1.01 0.28 1.02 -1.26 -4.93 120.64 110.53 2kup n GLU 29 Ca -0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 2kup n GLU 29 Cb 0.25 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.39 0.47 3.80 0.62 0.00 -0.85 -5.05 105.19 105.57 2kup n GLY 30 Ca 0.08 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.99 3.94 -0.16 1.61 -7.23 -1.26 -4.74 120.40 110.57 2kup s VAL 31 Ca 0.00 1.20 -0.23 0.00 -1.81 0.00 0.00 61.98 61.15 2kup s VAL 31 Cb 0.00 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 2kup s VAL 31 CO 0.00 -0.27 0.70 -1.61 -0.31 0.00 0.00 175.10 173.61 2kup s GLU 32 N -3.24 4.29 -0.15 4.82 2.02 -1.26 -2.58 118.70 122.60 2kup s GLU 32 Ca 0.66 0.79 -0.09 0.00 0.02 0.00 0.00 54.97 56.34 2kup s GLU 32 Cb -0.14 -3.54 -0.07 0.00 0.10 0.00 0.00 34.13 30.48 2kup s GLU 32 CO 0.18 -0.18 -0.23 1.28 0.02 0.00 0.00 175.26 176.34 2kup n LEU 33 N 4.75 1.33 -3.61 1.80 4.77 -0.66 -5.03 117.00 120.34 2kup n LEU 33 Ca 0.00 0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 56.05 2kup n LEU 33 Cb 0.50 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 2kup n LEU 33 CO 0.46 0.17 0.32 -0.83 -1.33 0.00 0.00 177.39 176.18 2kup s GLY 34 N -5.15 -0.46 0.23 -0.72 0.00 -1.24 -5.03 107.32 94.95 2kup s GLY 34 Ca -0.23 1.25 -0.09 0.00 0.00 0.00 0.00 44.72 45.64 2kup s GLY 34 CO 0.30 0.95 0.54 -1.35 0.00 0.00 0.00 173.10 173.54 2kup s SER 35 N -0.78 6.62 0.23 1.64 1.04 -1.26 -1.18 113.70 120.00 2kup s SER 35 Ca -0.08 0.90 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 2kup s SER 35 Cb -0.02 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2kup s SER 35 CO 0.06 -0.07 0.52 -0.83 0.98 0.00 0.00 173.24 173.91 2kup s GLY 36 N -2.37 0.24 -0.19 7.32 0.00 -0.15 -4.59 107.32 107.58 2kup s GLY 36 Ca 0.47 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 2kup s GLY 36 CO 0.21 -0.44 -0.14 0.14 0.00 0.00 0.00 173.10 172.87 2kup s VAL 37 N -3.96 2.59 0.01 1.40 1.01 -0.34 -0.99 120.40 120.12 2kup s VAL 37 Ca 0.16 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2kup s VAL 37 Cb -0.01 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 2kup s VAL 37 CO 0.05 0.50 0.39 -0.32 0.00 0.00 0.00 175.10 175.71 2kup s MET 38 N 1.30 3.85 -0.02 2.72 0.00 0.34 -0.97 119.30 126.52 2kup s MET 38 Ca 0.04 0.33 -0.00 0.00 0.00 0.00 0.00 55.69 56.06 2kup s MET 38 Cb -0.14 -3.18 0.03 0.00 0.00 0.00 0.00 34.83 31.55 2kup s MET 38 CO -0.08 0.67 0.03 -2.00 0.00 0.00 0.00 175.02 173.64 2kup s GLU 39 N -1.23 -0.04 -0.10 4.11 2.12 0.07 -1.14 118.70 122.50 2kup s GLU 39 Ca 0.25 0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.75 2kup s GLU 39 Cb -0.16 -0.24 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 2kup s GLU 39 CO 0.14 -0.17 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.16 2kup s LEU 40 N 1.05 3.44 0.29 2.70 1.02 -1.25 -0.93 118.68 125.01 2kup s LEU 40 Ca -0.09 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.15 2kup s LEU 40 Cb -0.13 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 2kup s LEU 40 CO -0.03 0.33 0.18 0.42 0.02 0.00 0.00 176.35 177.27 2kup s THR 41 N -0.59 0.19 -2.00 5.49 -4.23 -1.14 -4.99 115.64 108.36 2kup s THR 41 Ca 0.10 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.75 2kup s THR 41 Cb -0.12 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.64 2kup s THR 41 CO 0.02 0.00 1.36 0.00 -0.54 0.00 0.00 174.62 175.46 2kup n GLN 42 N -0.53 0.68 0.00 3.99 3.00 -1.26 -4.02 117.38 119.24 2kup n GLN 42 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2kup n GLN 42 Cb 0.64 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.55 2kup n GLN 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kup n SER 43 N -0.84 1.91 -3.65 1.08 7.64 -1.26 -4.67 113.62 113.83 2kup n SER 43 Ca 0.11 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.95 2kup n SER 43 Cb 0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.98 0.88 0.12 1.43 4.04 -1.26 -4.41 118.70 117.52 2kup s GLU 44 Ca 0.00 -0.44 -0.27 0.00 0.04 0.00 0.00 54.97 54.31 2kup s GLU 44 Cb 0.00 0.33 -0.07 0.00 0.02 0.00 0.00 34.13 34.42 2kup s GLU 44 CO 0.00 -0.40 0.82 -0.51 -1.84 0.00 0.00 175.26 173.34 2kup s LEU 45 N -2.75 4.53 -0.03 1.83 1.43 -1.00 -2.91 118.68 119.78 2kup s LEU 45 Ca 0.10 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2kup s LEU 45 Cb -0.00 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.87 2kup s LEU 45 CO -0.03 0.08 -0.05 -0.69 0.23 0.00 0.00 176.35 175.89 2kup s VAL 46 N -0.53 0.54 -0.15 -1.59 1.01 -0.11 -2.22 120.40 117.36 2kup s VAL 46 Ca 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2kup s VAL 46 Cb -0.22 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2kup s VAL 46 CO 0.26 0.21 -0.05 -0.76 0.00 0.00 0.00 175.10 174.76 2kup s LEU 47 N 0.61 3.19 -0.24 3.92 1.43 0.25 -0.75 118.68 127.09 2kup s LEU 47 Ca -0.08 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 2kup s LEU 47 Cb -0.11 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2kup s LEU 47 CO 0.00 0.18 0.16 -1.00 0.23 0.00 0.00 176.35 175.91 2kup s HIS 48 N 0.31 3.32 0.19 0.29 3.76 -0.14 -1.32 115.29 121.69 2kup s HIS 48 Ca -0.04 0.22 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 2kup s HIS 48 Cb -0.14 -2.26 -0.05 0.00 1.11 0.00 0.00 32.58 31.24 2kup s HIS 48 CO 0.03 0.07 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.44 2kup s LEU 49 N 1.01 2.34 -0.01 0.89 1.43 -1.26 -1.20 118.68 121.89 2kup s LEU 49 Ca 0.07 -1.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 2kup s LEU 49 Cb -0.13 -0.29 -0.11 0.00 0.03 0.00 0.00 46.19 45.68 2kup s LEU 49 CO 0.04 -0.43 0.15 0.00 0.23 0.00 0.00 176.35 176.34 2kup n HIS 50 N -0.30 0.00 -0.01 0.29 1.44 -1.26 -4.60 115.22 110.77 2kup n HIS 50 Ca -0.08 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.65 2kup n HIS 50 Cb 0.62 -0.17 0.04 0.00 0.12 0.00 0.00 29.99 30.60 2kup n HIS 50 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kup n ARG 51 N -1.76 2.13 -3.93 -1.40 5.12 -1.26 -5.05 116.66 110.50 2kup n ARG 51 Ca -0.02 -1.43 -0.09 0.00 -1.93 0.00 0.00 57.85 54.39 2kup n ARG 51 Cb 0.20 -1.07 -0.08 0.00 -1.16 0.00 0.00 32.46 30.35 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 -0.83 0.89 0.68 5.56 1.81 -1.26 -5.17 118.95 120.64 2kup s ARG 52 Ca 0.06 -1.08 -0.17 0.00 -1.72 0.00 0.00 55.73 52.82 2kup s ARG 52 Cb 0.03 0.32 0.01 0.00 -0.45 0.00 0.00 34.95 34.87 2kup s ARG 52 CO 0.04 -0.28 1.25 -1.21 -0.68 0.00 0.00 175.30 174.43 2kup s GLU 53 N -3.91 2.37 0.35 3.54 8.01 -1.26 -4.55 118.70 123.25 2kup s GLU 53 Ca 0.09 1.93 -0.29 0.00 0.01 0.00 0.00 54.97 56.72 2kup s GLU 53 Cb 0.05 -1.84 -0.11 0.00 -4.31 0.00 0.00 34.13 27.92 2kup s GLU 53 CO -0.07 -1.70 1.52 0.00 0.01 0.00 0.00 175.26 175.02 2kup s ALA 54 N -1.65 3.63 -0.10 5.21 0.00 -1.26 -4.71 121.76 122.88 2kup s ALA 54 Ca 0.79 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.33 2kup s ALA 54 Cb -0.34 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.14 2kup s ALA 54 CO 0.42 -1.03 -0.10 0.08 0.00 0.00 0.00 175.76 175.12 2kup s VAL 55 N -0.76 3.36 0.02 0.00 1.01 -0.44 -4.97 120.40 118.63 2kup s VAL 55 Ca 0.56 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2kup s VAL 55 Cb -0.47 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2kup s VAL 55 CO 0.58 0.55 -0.08 -0.13 0.00 0.00 0.00 175.10 176.02 2kup s ARG 56 N -0.16 0.60 -0.09 2.72 3.00 -1.26 -0.58 118.95 123.17 2kup s ARG 56 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 55.73 55.20 2kup s ARG 56 Cb -0.13 -0.52 0.05 0.00 0.00 0.00 0.00 34.95 34.35 2kup s ARG 56 CO 0.03 0.13 0.18 -1.58 0.00 0.00 0.00 175.30 174.06 2kup s TRP 57 N -0.68 -0.24 0.33 -0.53 0.51 -0.94 -4.26 118.94 113.13 2kup s TRP 57 Ca -0.02 0.68 -0.28 0.00 -2.12 0.00 0.00 56.10 54.36 2kup s TRP 57 Cb -0.06 -0.17 -0.09 0.00 -0.81 0.00 0.00 33.47 32.33 2kup s TRP 57 CO 0.00 -0.27 1.17 -1.25 -0.51 0.00 0.00 176.95 176.09 2kup s PRO 58 N 2.10 4.37 0.58 4.98 0.04 -1.26 -2.38 135.00 143.42 2kup s PRO 58 Ca 0.00 1.91 0.28 0.00 0.04 0.00 0.00 61.00 63.23 2kup s PRO 58 Cb -0.12 -2.98 1.70 0.00 0.04 0.00 0.00 34.50 33.14 2kup s PRO 58 CO -0.06 -0.07 2.19 1.88 0.04 0.00 0.00 177.00 180.98 2kup h TYR 59 N 3.29 0.00 -0.88 0.56 0.05 -1.95 -2.13 116.97 115.92 2kup h TYR 59 Ca -0.48 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.41 2kup h TYR 59 Cb 1.22 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.88 2kup h TYR 59 CO 0.57 0.00 0.51 1.25 -1.05 0.00 0.00 178.16 179.44 2kup h LEU 60 N 0.00 0.71 0.00 3.88 6.46 -1.94 -2.28 115.31 122.15 2kup h LEU 60 Ca 0.03 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2kup h LEU 60 Cb 0.19 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2kup h LEU 60 CO -0.00 0.38 -0.43 0.00 -0.62 0.00 0.00 178.44 177.77 2kup n LEU 62 N -1.59 6.79 0.25 0.00 4.77 -0.86 -3.88 117.00 122.49 2kup n LEU 62 Ca 0.05 -4.70 0.12 0.00 -0.03 0.00 0.00 56.01 51.46 2kup n LEU 62 Cb 0.35 -1.46 0.64 0.00 -2.33 0.00 0.00 43.42 40.62 2kup n LEU 62 CO 0.34 1.46 0.92 -0.09 -1.33 0.00 0.00 177.39 178.69 2kup h ARG 63 N 5.61 0.00 -3.20 3.23 2.43 -1.79 -3.43 114.38 117.23 2kup h ARG 63 Ca 0.42 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.25 2kup h ARG 63 Cb 0.59 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 29.77 2kup h ARG 63 CO 1.60 0.15 -0.69 0.50 -1.51 0.00 0.00 179.97 180.02 2kup s ARG 64 N -3.93 -0.02 -0.19 0.20 3.52 -1.26 -5.08 118.95 112.18 2kup s ARG 64 Ca -0.01 0.45 -0.04 0.00 -0.13 0.00 0.00 55.73 55.99 2kup s ARG 64 Cb 0.12 -0.45 0.08 0.00 -1.56 0.00 0.00 34.95 33.14 2kup s ARG 64 CO 0.59 -0.33 0.14 1.52 -0.81 0.00 0.00 175.30 176.42 2kup s TYR 65 N 2.23 0.02 0.41 5.12 1.13 -1.26 -1.75 117.35 123.24 2kup s TYR 65 Ca 0.04 -0.15 0.07 0.00 -1.41 0.00 0.00 57.07 55.62 2kup s TYR 65 Cb -0.12 -0.58 -0.08 0.00 -1.10 0.00 0.00 41.96 40.08 2kup s TYR 65 CO -0.04 -0.57 0.02 0.20 -2.51 0.00 0.00 175.55 172.65 2kup s GLY 66 N 2.21 2.51 0.05 5.49 0.00 -0.26 -5.00 107.32 112.32 2kup s GLY 66 Ca 0.04 -2.24 -0.03 0.00 0.00 0.00 0.00 44.72 42.50 2kup s GLY 66 CO -0.12 -2.09 0.02 -2.52 0.00 0.00 0.00 173.10 168.39 2kup s TYR 67 N -2.71 0.40 0.15 1.90 1.13 -1.26 -2.51 117.35 114.45 2kup s TYR 67 Ca 0.35 -0.88 -0.02 0.00 -1.41 0.00 0.00 57.07 55.10 2kup s TYR 67 Cb 0.09 -0.29 0.01 0.00 -1.10 0.00 0.00 41.96 40.67 2kup s TYR 67 CO 0.18 -0.39 0.22 -3.47 -2.51 0.00 0.00 175.55 169.58 2kup n ASP 68 N 0.27 -0.63 -4.57 -0.18 -0.08 0.20 -5.00 116.55 106.55 2kup n ASP 68 Ca -0.15 -1.74 -0.44 0.00 -1.51 0.00 0.00 54.79 50.95 2kup n ASP 68 Cb 0.61 1.14 -0.04 0.00 2.34 0.00 0.00 41.12 45.17 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 -1.76 3.00 -2.19 1.67 3.41 -1.26 -2.24 113.62 114.26 2kup n SER 69 Ca -0.01 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.72 2kup n SER 69 Cb 0.24 -1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 62.67 2kup n SER 69 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2kup n ASN 70 N 11.50 -3.15 -3.88 4.04 6.94 -1.26 -4.96 115.26 124.48 2kup n ASN 70 Ca 0.33 0.25 -0.19 0.00 -0.02 0.00 0.00 54.58 54.95 2kup n ASN 70 Cb 0.41 -2.78 -0.16 0.00 -2.36 0.00 0.00 39.78 34.88 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 -4.99 1.33 -0.03 -4.53 1.98 -0.95 -1.13 118.68 110.35 2kup s LEU 71 Ca 0.00 -0.11 0.06 0.00 -2.89 0.00 0.00 54.13 51.18 2kup s LEU 71 Cb 0.00 -0.41 -0.01 0.00 0.66 0.00 0.00 46.19 46.43 2kup s LEU 71 CO 0.00 -0.06 -0.20 0.12 -1.89 0.00 0.00 176.35 174.33 2kup s PHE 72 N 0.89 1.85 0.07 5.38 5.36 -0.28 -0.63 117.98 130.63 2kup s PHE 72 Ca -0.11 -0.44 -0.17 0.00 -0.96 0.00 0.00 56.93 55.24 2kup s PHE 72 Cb -0.14 -1.22 0.04 0.00 -0.34 0.00 0.00 43.02 41.36 2kup s PHE 72 CO 0.00 -0.10 0.41 0.45 -1.46 0.00 0.00 175.22 174.52 2kup s SER 73 N -0.25 -0.27 0.07 6.13 0.15 -1.04 -0.50 113.70 117.98 2kup s SER 73 Ca 0.02 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 2kup s SER 73 Cb -0.10 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2kup s SER 73 CO 0.01 -0.74 0.39 0.72 1.20 0.00 0.00 173.24 174.82 2kup s PHE 74 N -2.97 -0.21 -0.03 3.44 -0.12 -1.10 -1.10 117.98 115.88 2kup s PHE 74 Ca -0.02 0.06 0.06 0.00 -0.05 0.00 0.00 56.93 56.98 2kup s PHE 74 Cb 0.00 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 2kup s PHE 74 CO -0.06 -0.61 -0.23 -2.00 -0.05 0.00 0.00 175.22 172.27 2kup s GLU 75 N -2.98 2.09 0.01 1.99 -6.30 -0.72 -2.10 118.70 110.69 2kup s GLU 75 Ca -0.02 -0.83 -0.08 0.00 -2.50 0.00 0.00 54.97 51.54 2kup s GLU 75 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 34.13 32.23 2kup s GLU 75 CO -0.06 0.43 0.16 -1.54 0.02 0.00 0.00 175.26 174.27 2kup s SER 76 N -0.35 0.01 0.73 -1.70 1.04 -1.13 -3.99 113.70 108.32 2kup s SER 76 Ca 0.03 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 2kup s SER 76 Cb -0.11 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.27 2kup s SER 76 CO 0.01 -0.40 1.11 -0.83 0.98 0.00 0.00 173.24 174.11 2kup s GLY 77 N -1.46 1.62 0.15 7.32 0.00 -1.25 -3.21 107.32 110.48 2kup s GLY 77 Ca -0.14 -0.52 0.14 0.00 0.00 0.00 0.00 44.72 44.20 2kup s GLY 77 CO 0.01 -0.11 1.42 -0.96 0.00 0.00 0.00 173.10 173.46 2kup n ARG 78 N -3.08 0.08 0.25 2.90 -4.01 -1.26 -2.58 116.66 108.95 2kup n ARG 78 Ca 0.07 0.49 0.15 0.00 -1.04 0.00 0.00 57.85 57.52 2kup n ARG 78 Cb 0.59 -1.71 0.47 0.00 -3.04 0.00 0.00 32.46 28.76 2kup n ARG 78 CO 0.00 0.00 0.00 0.07 -3.04 0.00 0.00 177.63 174.66 2kup h ARG 79 N 0.00 0.00 -7.66 2.89 -0.00 -1.93 -3.41 114.38 104.27 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 0.11 0.00 0.16 0.00 -0.00 0.00 0.00 29.97 30.24 2kup h ARG 79 CO 0.00 0.01 0.33 0.00 -0.00 0.00 0.00 179.97 180.31 2kup h GLN 81 N -1.86 1.02 0.00 0.00 4.15 -1.91 -3.08 115.11 113.43 2kup h GLN 81 Ca -0.45 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 2kup h GLN 81 Cb 1.27 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 2kup h GLN 81 CO 0.41 0.68 -1.22 0.25 -1.93 0.00 0.00 178.83 177.02 2kup n THR 82 N -4.57 0.64 -1.15 2.39 -2.24 -1.26 -5.09 114.28 102.99 2kup n THR 82 Ca 0.13 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2kup n THR 82 Cb 0.17 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.23 -2.43 3.72 3.38 0.00 -1.17 -4.95 105.19 104.98 2kup n GLY 83 Ca -0.02 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.66 4.20 0.00 1.61 -2.07 -1.26 -4.68 119.66 116.80 2kup s GLN 84 Ca 0.00 2.41 0.00 0.00 -1.82 0.00 0.00 55.36 55.95 2kup s GLN 84 Cb 0.00 -3.13 0.00 0.00 -1.09 0.00 0.00 33.01 28.79 2kup s GLN 84 CO 0.00 -0.62 0.00 0.41 -1.32 0.00 0.00 175.29 173.76 2kup n GLY 85 N 3.57 -0.65 3.30 2.60 0.00 -1.20 -4.98 105.19 107.83 2kup n GLY 85 Ca 0.13 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 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 2.17 -0.10 -0.61 1.01 -1.26 -2.83 121.20 117.58 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 0.02 0.00 0.01 0.00 0.00 42.46 40.71 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 -0.30 1.32 0.01 3.97 0.08 -0.89 -5.01 117.98 117.15 2kup s PHE 87 Ca 0.01 -0.61 0.08 0.00 0.12 0.00 0.00 56.93 56.53 2kup s PHE 87 Cb -0.13 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2kup s PHE 87 CO 0.02 -0.45 -0.23 0.00 -0.10 0.00 0.00 175.22 174.47 2kup s ALA 88 N 1.60 1.95 -0.03 5.36 0.00 -1.26 -2.72 121.76 126.64 2kup s ALA 88 Ca 0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2kup s ALA 88 Cb -0.13 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2kup s ALA 88 CO -0.06 0.47 0.06 -0.06 0.00 0.00 0.00 175.76 176.17 2kup s PHE 89 N -0.65 -0.03 0.15 0.00 0.40 0.34 -1.16 117.98 117.03 2kup s PHE 89 Ca 0.09 0.23 -0.31 0.00 -0.60 0.00 0.00 56.93 56.35 2kup s PHE 89 Cb -0.09 -0.18 -0.08 0.00 0.51 0.00 0.00 43.02 43.18 2kup s PHE 89 CO 0.00 -0.11 1.34 0.15 0.70 0.00 0.00 175.22 177.31 2kup s LYS 90 N 1.04 4.36 -0.30 0.44 1.02 0.17 -1.13 119.74 125.34 2kup s LYS 90 Ca -0.08 2.05 -0.15 0.00 0.02 0.00 0.00 55.97 57.80 2kup s LYS 90 Cb -0.12 -3.23 0.17 0.00 -0.52 0.00 0.00 37.83 34.13 2kup s LYS 90 CO -0.04 -0.35 1.01 0.00 -0.92 0.00 0.00 175.35 175.06 2kup n SER 92 N 4.92 0.00 -1.20 0.00 2.88 -1.26 -2.64 113.62 116.32 2kup n SER 92 Ca -0.09 0.27 0.11 0.00 -1.33 0.00 0.00 58.87 57.83 2kup n SER 92 Cb 0.53 -0.39 0.26 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.39 2.60 -0.35 -1.46 3.00 -1.26 -4.76 116.66 113.04 2kup n ARG 93 Ca 0.06 -2.43 0.14 0.00 -0.00 0.00 0.00 57.85 55.62 2kup n ARG 93 Cb 0.16 -1.52 0.34 0.00 0.00 0.00 0.00 32.46 31.45 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 4.15 1.73 -0.19 5.13 0.00 -1.83 -1.32 119.26 126.93 2kup h ALA 94 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2kup h ALA 94 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2kup h ALA 94 CO 0.00 -0.12 -0.35 1.49 0.00 0.00 0.00 179.25 180.27 2kup h GLU 95 N 0.71 0.40 -0.13 0.00 4.81 -1.87 -1.23 114.58 117.28 2kup h GLU 95 Ca 0.58 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 59.50 2kup h GLU 95 Cb 0.97 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2kup h GLU 95 CO -0.38 0.70 -0.51 0.93 -0.73 0.00 0.00 179.01 179.02 2kup h GLU 96 N 0.34 0.34 -0.24 1.92 4.39 -1.63 -0.39 114.58 119.31 2kup h GLU 96 Ca 0.04 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2kup h GLU 96 Cb 0.78 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2kup h GLU 96 CO 0.06 0.77 0.09 0.82 -1.16 0.00 0.00 179.01 179.60 2kup h ILE 97 N 0.27 1.17 -0.61 3.13 2.04 -1.18 -0.68 117.51 121.65 2kup h ILE 97 Ca 0.01 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2kup h ILE 97 Cb 0.99 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2kup h ILE 97 CO 0.08 0.17 0.31 0.15 0.00 0.00 0.00 178.15 178.87 2kup h PHE 98 N 0.23 0.86 -0.02 1.37 3.57 -1.07 -0.04 116.94 121.85 2kup h PHE 98 Ca 0.08 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 2kup h PHE 98 Cb 0.19 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2kup h PHE 98 CO -0.01 0.64 -0.51 -0.91 -2.23 0.00 0.00 178.31 175.29 2kup h ASN 99 N 0.83 0.06 0.56 0.41 2.35 -1.04 -3.19 115.58 115.56 2kup h ASN 99 Ca 0.21 -0.03 -0.29 0.00 -0.55 0.00 0.00 56.30 55.65 2kup h ASN 99 Cb 0.09 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.45 2kup h ASN 99 CO -0.03 0.56 -1.32 0.25 -1.65 0.00 0.00 177.43 175.24 2kup h LEU 100 N 0.04 0.47 -0.23 1.61 5.85 -0.82 -3.30 115.31 118.94 2kup h LEU 100 Ca -0.00 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.24 2kup h LEU 100 Cb 0.92 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2kup h LEU 100 CO 0.07 1.42 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.44 2kup h LEU 101 N 0.08 -0.28 -2.07 2.25 3.38 -1.01 -1.91 115.31 115.76 2kup h LEU 101 Ca -0.17 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2kup h LEU 101 Cb 2.01 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.92 2kup h LEU 101 CO 0.21 -0.10 -0.09 0.06 0.09 0.00 0.00 178.44 178.61 2kup h GLN 102 N -0.04 0.00 0.00 1.13 3.07 -1.69 0.31 115.11 117.90 2kup h GLN 102 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.74 2kup h GLN 102 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.75 2kup h GLN 102 CO -0.25 0.09 -0.52 -0.44 0.09 0.00 0.00 178.83 177.79 2kup h ASP 103 N 0.00 0.00 0.47 0.06 5.19 -1.44 -3.27 116.42 117.43 2kup h ASP 103 Ca -0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 2kup h ASP 103 Cb 0.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 2kup h ASP 103 CO 0.01 0.52 -1.74 0.18 -3.12 0.00 0.00 179.24 175.10 2kup n LEU 104 N -3.30 0.87 0.21 1.55 4.77 -0.74 -3.18 117.00 117.19 2kup n LEU 104 Ca 0.01 0.40 0.18 0.00 -0.03 0.00 0.00 56.01 56.57 2kup n LEU 104 Cb 0.70 0.16 0.84 0.00 -2.33 0.00 0.00 43.42 42.80 2kup n LEU 104 CO 0.40 0.40 1.15 0.24 -1.33 0.00 0.00 177.39 178.25 2kup h MET 105 N 0.00 0.00 -0.01 3.23 2.86 -1.06 -1.37 114.93 118.59 2kup h MET 105 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2kup h MET 105 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 2kup h MET 105 CO 0.08 0.00 -0.56 0.00 1.06 0.00 0.00 176.91 177.49 2kup n GLN 106 N -3.69 1.16 0.05 1.72 10.64 -1.23 -4.67 117.38 121.36 2kup n GLN 106 Ca 0.02 -0.69 -0.03 0.00 -1.83 0.00 0.00 57.00 54.46 2kup n GLN 106 Cb 0.34 -1.42 -0.08 0.00 -0.86 0.00 0.00 30.24 28.22 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 -6.26 4.62 -0.24 0.00 4.22 -1.24 -5.03 114.94 111.01 2kup s ASN 108 Ca -0.01 2.09 -0.18 0.00 -2.14 0.00 0.00 52.86 52.62 2kup s ASN 108 Cb 0.09 -2.56 -0.03 0.00 1.28 0.00 0.00 41.25 40.03 2kup s ASN 108 CO 0.80 -1.97 0.53 -0.55 -2.04 0.00 0.00 177.10 173.88 2kup s SER 109 N -2.54 6.50 -1.14 3.54 0.15 -1.26 -4.99 113.70 113.96 2kup s SER 109 Ca 0.68 0.60 -0.05 0.00 0.70 0.00 0.00 55.95 57.88 2kup s SER 109 Cb -0.23 -2.29 0.26 0.00 -1.71 0.00 0.00 66.02 62.05 2kup s SER 109 CO 0.45 -0.26 1.75 -0.38 1.20 0.00 0.00 173.24 176.00 2kup n ILE 110 N 4.95 5.30 -2.28 6.45 -0.00 -1.26 -4.69 119.36 127.83 2kup n ILE 110 Ca -0.04 -5.45 -0.18 0.00 -0.00 0.00 0.00 62.75 57.08 2kup n ILE 110 Cb 0.50 -2.02 -0.01 0.00 -0.00 0.00 0.00 39.64 38.11 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 1.58 -5.32 -1.01 4.38 3.02 -1.26 -4.92 115.26 111.73 2kup n ASN 111 Ca 0.38 0.02 0.10 0.00 -0.03 0.00 0.00 54.58 55.04 2kup n ASN 111 Cb 0.31 -4.39 0.26 0.00 -0.61 0.00 0.00 39.78 35.36 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 -3.89 0.66 -3.96 2.41 0.24 -1.26 -4.92 118.33 107.61 2kup n VAL 112 Ca -0.22 -0.71 -0.08 0.00 -2.04 0.00 0.00 64.34 61.29 2kup n VAL 112 Cb 0.66 0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.34 0.69 0.38 7.34 -1.94 -1.26 -5.13 119.30 118.03 2kup s MET 113 Ca 0.38 -0.98 -0.27 0.00 -1.71 0.00 0.00 55.69 53.11 2kup s MET 113 Cb 0.20 0.26 -0.09 0.00 2.01 0.00 0.00 34.83 37.21 2kup s MET 113 CO 0.27 -0.18 1.26 -1.21 -0.01 0.00 0.00 175.02 175.15 2kup s GLU 114 N -3.50 4.11 0.04 2.03 0.41 -1.26 -5.05 118.70 115.48 2kup s GLU 114 Ca 0.03 2.07 -0.12 0.00 -0.41 0.00 0.00 54.97 56.54 2kup s GLU 114 Cb 0.04 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.58 2kup s GLU 114 CO -0.09 -0.35 0.25 -1.83 -0.49 0.00 0.00 175.26 172.76 2kup s GLU 115 N -2.12 0.75 1.05 1.61 -1.05 -1.26 -5.18 118.70 112.51 2kup s GLU 115 Ca 0.55 -0.55 -0.17 0.00 -0.15 0.00 0.00 54.97 54.64 2kup s GLU 115 Cb -0.36 0.32 0.22 0.00 -0.44 0.00 0.00 34.13 33.87 2kup s GLU 115 CO 0.47 -0.23 1.20 -1.25 0.95 0.00 0.00 175.26 176.40 2kup s PRO 116 N -2.53 -0.03 -0.15 -4.83 0.04 -1.26 -5.03 135.00 121.21 2kup s PRO 116 Ca -0.05 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 60.60 2kup s PRO 116 Cb -0.01 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2kup s PRO 116 CO -0.03 -2.91 0.83 0.08 0.04 0.00 0.00 177.00 175.01 2kup s VAL 117 N -3.41 4.89 -0.05 -0.36 1.01 -1.26 -5.07 120.40 116.15 2kup s VAL 117 Ca 0.71 1.65 0.04 0.00 0.00 0.00 0.00 61.98 64.37 2kup s VAL 117 Cb -0.08 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2kup s VAL 117 CO 0.54 0.05 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 2kup s ILE 118 N 2.01 2.99 -0.08 2.22 1.09 -1.26 -5.10 121.20 123.08 2kup s ILE 118 Ca 0.39 -0.75 -0.30 0.00 -1.10 0.00 0.00 60.65 58.90 2kup s ILE 118 Cb -0.17 -2.17 -0.05 0.00 -1.06 0.00 0.00 42.46 39.01 2kup s ILE 118 CO 0.13 0.59 1.68 -0.63 -0.10 0.00 0.00 174.94 176.61 2kup s ILE 119 N -0.66 3.56 0.04 2.92 1.01 -1.26 -4.99 121.20 121.82 2kup s ILE 119 Ca 0.10 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.35 2kup s ILE 119 Cb -0.11 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 2kup s ILE 119 CO 0.01 -0.09 0.13 0.42 0.00 0.00 0.00 174.94 175.41 2kup s THR 120 N 4.31 0.12 0.03 2.92 -4.23 -1.26 -5.07 115.64 112.47 2kup s THR 120 Ca 0.74 -1.01 0.24 0.00 -1.18 0.00 0.00 61.69 60.49 2kup s THR 120 Cb -0.33 -0.88 0.25 0.00 1.34 0.00 0.00 72.50 72.89 2kup s THR 120 CO 0.30 -0.56 1.78 0.03 -0.54 0.00 0.00 174.62 175.64 2kup h ARG 121 N 3.62 0.00 -2.87 3.99 3.08 -2.10 -3.45 114.38 116.66 2kup h ARG 121 Ca -0.32 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.58 2kup h ARG 121 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.97 2kup h ARG 121 CO 0.49 0.20 -0.36 -0.80 -1.07 0.00 0.00 179.97 178.43 2kup s ASN 122 N -6.15 -0.38 0.33 7.04 -0.87 -1.26 -5.16 114.94 108.49 2kup s ASN 122 Ca 0.02 0.70 -0.27 0.00 -1.57 0.00 0.00 52.86 51.74 2kup s ASN 122 Cb 0.09 0.64 -0.09 0.00 -0.02 0.00 0.00 41.25 41.86 2kup s ASN 122 CO 0.64 -0.15 1.01 -0.55 -2.57 0.00 0.00 177.10 175.48 2kup s SER 123 N 0.83 7.18 0.08 -1.22 0.15 -1.26 -5.01 113.70 114.45 2kup s SER 123 Ca -0.05 2.01 -0.31 0.00 0.70 0.00 0.00 55.95 58.30 2kup s SER 123 Cb -0.06 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.56 2kup s SER 123 CO -0.06 -0.19 1.82 -2.28 1.20 0.00 0.00 173.24 173.73 2kup s HIS 124 N -1.48 1.98 0.48 3.44 2.46 -1.26 -4.99 115.29 115.93 2kup s HIS 124 Ca 0.50 -0.06 -0.21 0.00 0.47 0.00 0.00 55.06 55.77 2kup s HIS 124 Cb -0.23 -4.15 -0.08 0.00 -0.13 0.00 0.00 32.58 27.99 2kup s HIS 124 CO 0.30 -4.81 1.05 -1.25 -2.47 0.00 0.00 174.74 167.55 2kup s PRO 125 N 3.19 3.79 -1.29 2.88 0.04 -1.26 -4.94 135.00 137.42 2kup s PRO 125 Ca 0.81 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 2kup s PRO 125 Cb -0.44 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2kup s PRO 125 CO 0.37 -0.44 2.26 0.00 0.04 0.00 0.00 177.00 179.22 2kup n ALA 126 N -0.91 5.27 -2.36 8.56 0.00 -1.26 -4.92 120.51 124.89 2kup n ALA 126 Ca 0.09 -3.56 -0.40 0.00 0.00 0.00 0.00 53.44 49.57 2kup n ALA 126 Cb 0.52 -3.50 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 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 3.48 2.99 0.13 0.00 2.12 -1.26 -4.89 118.70 121.27 2kup s GLU 127 Ca 0.52 0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.78 2kup s GLU 127 Cb 0.14 -4.27 0.04 0.00 0.26 0.00 0.00 34.13 30.30 2kup s GLU 127 CO -0.03 -2.37 0.59 1.47 -0.54 0.00 0.00 175.26 174.38 2kup n LEU 128 N 10.62 0.00 -3.77 2.70 -0.00 -1.26 -5.20 117.00 120.09 2kup n LEU 128 Ca 0.10 -1.00 -0.12 0.00 -0.00 0.00 0.00 56.01 54.99 2kup n LEU 128 Cb 0.50 1.79 -0.08 0.00 -0.00 0.00 0.00 43.42 45.63 2kup n LEU 128 CO 0.71 -0.33 0.01 -0.62 -0.00 0.00 0.00 177.39 177.16 2kup s ASP 129 N -2.42 -0.13 -0.30 1.45 2.15 -1.26 -5.12 116.67 111.03 2kup s ASP 129 Ca 0.13 -0.10 -0.37 0.00 0.43 0.00 0.00 52.55 52.64 2kup s ASP 129 Cb -0.02 0.33 -0.13 0.00 -0.30 0.00 0.00 42.92 42.80 2kup s ASP 129 CO 0.04 -0.54 2.01 -0.11 -0.17 0.00 0.00 175.17 176.40 2kup n LEU 130 N 0.89 2.31 -4.76 -1.34 0.00 -1.26 -4.90 117.00 107.94 2kup n LEU 130 Ca -0.20 0.71 -0.39 0.00 0.00 0.00 0.00 56.01 56.13 2kup n LEU 130 Cb 0.58 -1.22 -0.06 0.00 0.00 0.00 0.00 43.42 42.72 2kup n LEU 130 CO 0.21 -0.55 0.68 -2.16 0.00 0.00 0.00 177.39 175.57 2kup s PRO 131 N 5.11 4.72 0.85 1.96 0.04 -1.26 -5.05 135.00 141.36 2kup s PRO 131 Ca 1.05 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 2kup s PRO 131 Cb -0.94 -3.11 0.10 0.00 0.04 0.00 0.00 34.50 30.59 2kup s PRO 131 CO 0.56 0.38 1.09 -0.98 0.04 0.00 0.00 177.00 178.08 2kup s ARG 132 N -1.50 1.67 -0.02 4.56 3.03 -1.26 -5.10 118.95 120.33 2kup s ARG 132 Ca 0.45 0.95 -0.12 0.00 2.03 0.00 0.00 55.73 59.03 2kup s ARG 132 Cb -0.25 -1.85 0.02 0.00 -1.03 0.00 0.00 34.95 31.84 2kup s ARG 132 CO 0.31 -1.99 0.25 0.00 -1.13 0.00 0.00 175.30 172.74 2kup s ALA 133 N -2.93 -0.62 0.32 7.88 0.00 -1.26 -5.16 121.76 120.00 2kup s ALA 133 Ca 0.62 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 2kup s ALA 133 Cb -0.17 0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.89 2kup s ALA 133 CO 0.56 -0.23 1.19 -1.25 0.00 0.00 0.00 175.76 176.04 2kup s PRO 134 N -1.22 4.44 -0.15 0.00 0.04 -1.26 -5.04 135.00 131.81 2kup s PRO 134 Ca -0.13 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2kup s PRO 134 Cb -0.06 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2kup s PRO 134 CO 0.03 -0.03 0.37 1.14 0.04 0.00 0.00 177.00 178.55 2kup s GLN 135 N -1.72 4.28 0.08 4.56 -2.07 -1.26 -5.07 119.66 118.46 2kup s GLN 135 Ca 0.48 0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.94 2kup s GLN 135 Cb -0.35 -3.44 -0.06 0.00 -1.09 0.00 0.00 33.01 28.07 2kup s GLN 135 CO 0.46 0.18 1.14 -1.25 -1.32 0.00 0.00 175.29 174.49 2kup s PRO 136 N 0.63 4.49 -0.31 9.60 0.04 -1.26 -4.99 135.00 143.20 2kup s PRO 136 Ca 0.20 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2kup s PRO 136 Cb -0.14 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 2kup s PRO 136 CO 0.06 -0.14 1.37 -1.25 0.04 0.00 0.00 177.00 177.08 2kup s PRO 137 N 0.69 3.84 -0.39 0.56 0.04 -1.26 -4.98 135.00 133.50 2kup s PRO 137 Ca 0.55 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 2kup s PRO 137 Cb -0.28 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.35 2kup s PRO 137 CO 0.30 -1.22 1.15 1.21 0.04 0.00 0.00 177.00 178.48 2kup s ASN 138 N 3.21 6.75 0.07 6.66 2.47 -1.26 -5.02 114.94 127.82 2kup s ASN 138 Ca 0.59 0.82 -0.30 0.00 0.42 0.00 0.00 52.86 54.39 2kup s ASN 138 Cb -0.17 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.02 2kup s ASN 138 CO 0.26 -1.09 1.18 0.00 -3.72 0.00 0.00 177.10 173.73 2kup s ALA 139 N 4.16 3.38 -0.43 1.71 0.00 -1.26 -5.02 121.76 124.30 2kup s ALA 139 Ca 0.49 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 2kup s ALA 139 Cb -0.11 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2kup s ALA 139 CO 0.24 -0.41 0.44 -1.17 0.00 0.00 0.00 175.76 174.86 2kup s LEU 140 N 0.94 4.95 -0.29 0.00 0.20 -1.26 -5.02 118.68 118.20 2kup s LEU 140 Ca 0.58 -0.76 -0.24 0.00 0.69 0.00 0.00 54.13 54.39 2kup s LEU 140 Cb -0.29 -2.36 0.18 0.00 -0.43 0.00 0.00 46.19 43.29 2kup s LEU 140 CO 0.30 -0.60 1.33 -0.83 -0.29 0.00 0.00 176.35 176.26 2kup s GLY 141 N 1.92 0.26 0.27 7.98 0.00 -1.26 -5.20 107.32 111.29 2kup s GLY 141 Ca 0.11 3.36 -0.13 0.00 0.00 0.00 0.00 44.72 48.06 2kup s GLY 141 CO 0.13 1.98 0.52 -0.19 0.00 0.00 0.00 173.10 175.54 2kup s TYR 142 N 0.16 0.37 0.33 1.90 2.02 -1.26 -5.20 117.35 115.67 2kup s TYR 142 Ca 0.05 -0.75 -0.09 0.00 -0.37 0.00 0.00 57.07 55.92 2kup s TYR 142 Cb -0.05 0.25 0.02 0.00 -0.40 0.00 0.00 41.96 41.77 2kup s TYR 142 CO -0.13 -1.06 0.57 -0.08 -1.57 0.00 0.00 175.55 173.27 2kup s THR 143 N -3.81 0.00 -0.02 -0.71 -1.32 -1.26 -5.17 115.64 103.36 2kup s THR 143 Ca 0.22 -1.38 -0.17 0.00 -1.21 0.00 0.00 61.69 59.15 2kup s THR 143 Cb -0.01 -2.61 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 2kup s THR 143 CO 0.10 0.00 0.46 -0.69 -2.21 0.00 0.00 174.62 172.29 2kup s VAL 144 N -3.06 5.00 -0.02 5.08 1.01 -1.26 -5.03 120.40 122.12 2kup s VAL 144 Ca 0.24 0.96 -0.36 0.00 0.00 0.00 0.00 61.98 62.82 2kup s VAL 144 Cb -0.02 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2kup s VAL 144 CO 0.15 0.50 1.64 -1.20 0.00 0.00 0.00 175.10 176.19 2kup n SER 145 N 2.31 2.66 -0.44 3.32 7.64 -1.26 -5.39 113.62 122.46 2kup n SER 145 Ca -0.11 1.06 0.14 0.00 1.01 0.00 0.00 58.87 60.97 2kup n SER 145 Cb 0.52 -1.29 0.56 0.00 -1.01 0.00 0.00 64.21 62.99 2kup n SER 145 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49