#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkd s GLU 5 N 0.00 1.47 0.23 1.43 0.41 -1.26 -5.13 118.70 115.85 2pkd s GLU 5 Ca 0.00 -1.69 -0.30 0.00 -0.41 0.00 0.00 54.97 52.57 2pkd s GLU 5 Cb 0.00 -1.25 -0.09 0.00 -1.78 0.00 0.00 34.13 31.01 2pkd s GLU 5 CO 0.00 0.16 1.16 0.42 -0.49 0.00 0.00 175.26 176.51 2pkd s ILE 6 N -2.90 3.50 -0.20 -1.63 1.01 -1.26 -4.48 121.20 115.24 2pkd s ILE 6 Ca 0.26 1.37 -0.05 0.00 0.00 0.00 0.00 60.65 62.23 2pkd s ILE 6 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 2pkd s ILE 6 CO 0.10 0.27 -0.01 0.12 0.00 0.00 0.00 174.94 175.42 2pkd s PHE 7 N -0.58 3.02 -0.13 3.97 2.19 -0.30 -4.95 117.98 121.20 2pkd s PHE 7 Ca 0.49 -0.51 -0.22 0.00 0.33 0.00 0.00 56.93 57.02 2pkd s PHE 7 Cb -0.33 -2.07 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 2pkd s PHE 7 CO 0.39 -0.26 0.66 0.99 1.83 0.00 0.00 175.22 178.83 2pkd s THR 8 N 0.99 5.04 -0.04 0.12 2.01 -1.26 -1.08 115.64 121.41 2pkd s THR 8 Ca 0.01 1.31 0.05 0.00 0.31 0.00 0.00 61.69 63.38 2pkd s THR 8 Cb -0.14 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 2pkd s THR 8 CO 0.01 0.19 -0.21 0.68 -0.69 0.00 0.00 174.62 174.60 2pkd s VAL 9 N 1.30 1.72 -0.07 3.82 -7.23 0.33 -4.93 120.40 115.34 2pkd s VAL 9 Ca 0.33 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 2pkd s VAL 9 Cb -0.17 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 2pkd s VAL 9 CO 0.14 0.49 0.01 0.20 -0.31 0.00 0.00 175.10 175.62 2pkd s ASN 10 N -0.14 5.25 0.05 4.85 0.01 -1.26 -0.90 114.94 122.79 2pkd s ASN 10 Ca -0.01 0.12 -0.01 0.00 -0.71 0.00 0.00 52.86 52.24 2pkd s ASN 10 Cb -0.12 -1.46 -0.04 0.00 0.41 0.00 0.00 41.25 40.04 2pkd s ASN 10 CO 0.02 0.36 -0.01 -0.83 -1.51 0.00 0.00 177.10 175.13 2pkd s GLY 11 N -1.03 0.43 -0.18 0.66 0.00 0.11 -4.91 107.32 102.40 2pkd s GLY 11 Ca 0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 44.72 43.70 2pkd s GLY 11 CO 0.04 -1.24 -0.03 -0.42 0.00 0.00 0.00 173.10 171.44 2pkd s ILE 12 N -3.77 3.72 0.09 0.90 -1.09 -1.26 -1.17 121.20 118.62 2pkd s ILE 12 Ca 0.05 -0.40 -0.27 0.00 -2.23 0.00 0.00 60.65 57.80 2pkd s ILE 12 Cb 0.07 -2.66 -0.15 0.00 -1.58 0.00 0.00 42.46 38.14 2pkd s ILE 12 CO -0.10 0.45 0.63 0.18 -1.23 0.00 0.00 174.94 174.88 2pkd n LEU 13 N 4.08 -0.55 0.00 2.97 4.77 -0.70 -0.03 117.00 127.55 2pkd n LEU 13 Ca -0.17 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2pkd n LEU 13 Cb 0.52 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2pkd n LEU 13 CO 0.31 -2.02 0.00 0.61 -1.33 0.00 0.00 177.39 174.96 2pkd n GLY 14 N 1.43 2.98 0.00 -0.72 0.00 0.14 -4.66 105.19 104.36 2pkd n GLY 14 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pkd n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pkd n GLU 15 N -2.00 3.19 -4.39 1.61 4.71 0.95 -4.13 120.64 120.58 2pkd n GLU 15 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 2pkd n GLU 15 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 2pkd n GLU 15 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2pkd s SER 16 N -0.62 4.04 0.08 1.62 0.01 -1.26 -0.49 113.70 117.08 2pkd s SER 16 Ca 0.00 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.87 2pkd s SER 16 Cb 0.00 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 2pkd s SER 16 CO 0.00 0.21 -0.16 0.54 0.41 0.00 0.00 173.24 174.23 2pkd s VAL 17 N -1.09 1.30 -0.07 3.43 0.11 -0.79 -4.70 120.40 118.58 2pkd s VAL 17 Ca 0.18 -1.38 0.04 0.00 -2.93 0.00 0.00 61.98 57.89 2pkd s VAL 17 Cb -0.11 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 2pkd s VAL 17 CO 0.10 -0.17 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.61 2pkd s THR 18 N -1.24 2.58 -0.21 5.04 2.01 -1.26 -2.26 115.64 120.30 2pkd s THR 18 Ca 0.01 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 2pkd s THR 18 Cb -0.10 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 2pkd s THR 18 CO 0.03 0.56 0.15 -0.36 -0.69 0.00 0.00 174.62 174.32 2pkd s PHE 19 N -0.18 3.38 -0.20 4.92 0.08 0.65 -4.96 117.98 121.67 2pkd s PHE 19 Ca -0.02 0.31 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 2pkd s PHE 19 Cb -0.14 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.10 2pkd s PHE 19 CO 0.03 0.20 1.12 -1.25 -0.10 0.00 0.00 175.22 175.23 2pkd s PRO 20 N 0.63 4.26 -0.11 0.24 0.04 -1.26 -2.66 135.00 136.14 2pkd s PRO 20 Ca 0.08 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 2pkd s PRO 20 Cb -0.12 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 2pkd s PRO 20 CO 0.01 -0.64 -0.12 0.28 0.04 0.00 0.00 177.00 176.57 2pkd n VAL 21 N 5.28 0.62 -3.69 -0.36 0.31 -1.26 -5.00 118.33 114.23 2pkd n VAL 21 Ca 0.12 -0.19 -0.23 0.00 -0.01 0.00 0.00 64.34 64.03 2pkd n VAL 21 Cb 0.46 -1.30 0.03 0.00 -0.91 0.00 0.00 33.84 32.12 2pkd n VAL 21 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2pkd n ASN 22 N -3.19 -1.99 -4.62 4.52 3.02 -1.19 -4.88 115.26 106.92 2pkd n ASN 22 Ca -0.21 -0.86 -0.43 0.00 -0.03 0.00 0.00 54.58 53.06 2pkd n ASN 22 Cb 0.68 -3.95 -0.02 0.00 -0.61 0.00 0.00 39.78 35.87 2pkd n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pkd s ILE 23 N -3.65 3.78 -0.45 2.41 -1.09 -0.36 -4.87 121.20 116.98 2pkd s ILE 23 Ca 0.10 0.86 0.04 0.00 -2.23 0.00 0.00 60.65 59.41 2pkd s ILE 23 Cb -0.03 -3.87 0.56 0.00 -1.58 0.00 0.00 42.46 37.55 2pkd s ILE 23 CO 0.82 -0.42 1.78 1.67 -1.23 0.00 0.00 174.94 177.56 2pkd n GLN 24 N 7.78 2.34 -2.70 2.79 -0.06 -1.26 -4.18 117.38 122.09 2pkd n GLN 24 Ca 0.18 -3.20 -0.06 0.00 -2.00 0.00 0.00 57.00 51.92 2pkd n GLN 24 Cb 0.46 -2.12 0.07 0.00 -4.06 0.00 0.00 30.24 24.59 2pkd n GLN 24 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2pkd n GLU 25 N -1.06 0.38 0.23 3.69 2.13 -1.26 -5.11 120.64 119.64 2pkd n GLU 25 Ca 0.53 -1.09 -0.17 0.00 0.66 0.00 0.00 57.16 57.10 2pkd n GLU 25 Cb 1.24 -0.66 -0.09 0.00 0.27 0.00 0.00 31.44 32.20 2pkd n GLU 25 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2pkd h PRO 26 N 3.33 -0.81 0.00 5.31 0.13 -1.81 -3.17 132.00 134.97 2pkd h PRO 26 Ca -0.21 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2pkd h PRO 26 Cb 1.15 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2pkd h PRO 26 CO 0.01 -0.54 0.01 -2.13 -0.23 0.00 0.00 178.00 175.11 2pkd n ARG 27 N -5.51 0.00 -0.01 0.86 0.63 -1.26 -0.97 116.66 110.40 2pkd n ARG 27 Ca -0.10 0.13 0.13 0.00 -0.92 0.00 0.00 57.85 57.10 2pkd n ARG 27 Cb 0.41 -1.51 0.56 0.00 0.45 0.00 0.00 32.46 32.37 2pkd n ARG 27 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2pkd n GLN 28 N -1.11 1.56 -2.89 -0.14 7.27 -1.20 -4.90 117.38 115.97 2pkd n GLN 28 Ca 0.00 -0.81 -0.41 0.00 0.07 0.00 0.00 57.00 55.84 2pkd n GLN 28 Cb 0.01 -1.46 -0.04 0.00 2.41 0.00 0.00 30.24 31.16 2pkd n GLN 28 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2pkd s VAL 29 N -1.96 4.87 -0.16 1.69 1.01 -0.14 0.75 120.40 126.45 2pkd s VAL 29 Ca 0.38 1.61 -0.18 0.00 0.00 0.00 0.00 61.98 63.79 2pkd s VAL 29 Cb 0.20 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2pkd s VAL 29 CO 0.32 -0.01 0.28 0.50 0.00 0.00 0.00 175.10 176.20 2pkd h LYS 30 N 7.45 0.00 -1.98 2.72 3.64 -0.78 -3.42 116.57 124.20 2pkd h LYS 30 Ca -0.27 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 2pkd h LYS 30 Cb 1.12 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.73 2pkd h LYS 30 CO 0.85 0.66 0.15 -1.50 -2.27 0.00 0.00 179.45 177.34 2pkd s ILE 31 N -2.16 0.00 -0.13 2.00 2.07 -0.85 -4.39 121.20 117.74 2pkd s ILE 31 Ca -0.18 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 2pkd s ILE 31 Cb 0.01 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 2pkd s ILE 31 CO 0.46 0.00 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.66 2pkd s ILE 32 N 0.18 2.34 -0.27 2.00 1.01 -0.05 -0.28 121.20 126.13 2pkd s ILE 32 Ca -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 2pkd s ILE 32 Cb -0.04 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.50 2pkd s ILE 32 CO 0.02 0.54 0.02 0.00 0.00 0.00 0.00 174.94 175.52 2pkd s ALA 33 N 0.56 2.92 -0.21 9.38 0.00 -0.57 -0.69 121.76 133.14 2pkd s ALA 33 Ca -0.12 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.33 2pkd s ALA 33 Cb -0.17 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2pkd s ALA 33 CO 0.04 -0.83 0.11 -1.58 0.00 0.00 0.00 175.76 173.50 2pkd s TRP 34 N 1.44 3.29 0.14 0.00 0.52 -0.67 -0.07 118.94 123.59 2pkd s TRP 34 Ca 0.02 0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.33 2pkd s TRP 34 Cb -0.17 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2pkd s TRP 34 CO -0.00 0.11 -0.10 0.95 0.02 0.00 0.00 176.95 177.93 2pkd s THR 35 N 0.70 1.12 0.00 2.01 -4.23 0.05 -2.22 115.64 113.07 2pkd s THR 35 Ca 0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2pkd s THR 35 Cb -0.13 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2pkd s THR 35 CO 0.01 -0.74 0.00 -0.24 -0.54 0.00 0.00 174.62 173.12 2pkd n SER 36 N -0.11 0.00 -0.32 3.99 2.88 -1.26 -0.70 113.62 118.10 2pkd n SER 36 Ca -0.11 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.60 2pkd n SER 36 Cb 0.60 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.42 2pkd n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2pkd h LYS 37 N 0.00 0.33 -5.50 -1.46 1.57 -1.95 -3.42 116.57 106.14 2pkd h LYS 37 Ca 0.00 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.16 2pkd h LYS 37 Cb 0.00 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.10 2pkd h LYS 37 CO 0.00 0.22 -0.59 0.95 -0.57 0.00 0.00 179.45 179.46 2pkd s THR 38 N -5.82 1.70 0.79 -0.16 -4.23 -1.26 -5.12 115.64 101.53 2pkd s THR 38 Ca -0.11 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.25 2pkd s THR 38 Cb 0.27 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 2pkd s THR 38 CO 0.78 0.00 0.50 -1.20 -0.54 0.00 0.00 174.62 174.16 2pkd n SER 39 N -0.96 -1.42 0.00 3.99 7.64 -1.26 -4.66 113.62 116.95 2pkd n SER 39 Ca -0.06 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2pkd n SER 39 Cb 0.67 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2pkd n SER 39 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2pkd n VAL 40 N -2.75 0.00 -3.68 0.44 0.31 -0.94 -4.44 118.33 107.27 2pkd n VAL 40 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.37 2pkd n VAL 40 Cb 0.51 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.72 2pkd n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pkd s ALA 41 N -2.00 -1.72 -0.04 3.52 0.00 -1.20 -1.60 121.76 118.72 2pkd s ALA 41 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.41 2pkd s ALA 41 Cb 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2pkd s ALA 41 CO 0.00 -0.95 -0.22 1.52 0.00 0.00 0.00 175.76 176.11 2pkd s TYR 42 N -3.21 2.09 -0.13 0.00 -0.85 -0.18 -1.66 117.35 113.40 2pkd s TYR 42 Ca 0.10 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.16 2pkd s TYR 42 Cb -0.01 -1.36 -0.00 0.00 0.38 0.00 0.00 41.96 40.96 2pkd s TYR 42 CO -0.01 -0.12 -0.18 0.08 -1.52 0.00 0.00 175.55 173.80 2pkd s VAL 43 N -0.29 2.49 0.28 -3.49 1.01 0.13 -1.10 120.40 119.43 2pkd s VAL 43 Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2pkd s VAL 43 Cb -0.11 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 2pkd s VAL 43 CO 0.01 0.54 0.04 0.42 0.00 0.00 0.00 175.10 176.10 2pkd s THR 44 N 0.57 1.06 0.38 3.92 -4.23 -0.50 -0.87 115.64 115.98 2pkd s THR 44 Ca -0.11 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.11 2pkd s THR 44 Cb -0.16 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 70.98 2pkd s THR 44 CO 0.04 -0.13 1.42 -2.84 -0.54 0.00 0.00 174.62 172.57 2pkd s PRO 45 N -3.89 4.06 0.50 3.99 0.02 -1.26 -0.89 135.00 137.53 2pkd s PRO 45 Ca 0.34 2.43 -0.21 0.00 0.02 0.00 0.00 61.00 63.57 2pkd s PRO 45 Cb 0.07 -2.91 -0.07 0.00 0.02 0.00 0.00 34.50 31.62 2pkd s PRO 45 CO 0.13 -0.51 1.16 0.20 -0.33 0.00 0.00 177.00 177.64 2pkd s GLY 46 N -0.34 2.73 0.06 0.52 0.00 -1.14 -4.51 107.32 104.63 2pkd s GLY 46 Ca 0.54 0.91 -0.12 0.00 0.00 0.00 0.00 44.72 46.05 2pkd s GLY 46 CO 0.58 1.33 1.21 -1.80 0.00 0.00 0.00 173.10 174.42 2pkd h ASP 47 N 1.65 -0.84 -3.63 1.64 1.82 -1.95 -3.29 116.42 111.82 2pkd h ASP 47 Ca -0.50 0.13 -0.46 0.00 -0.39 0.00 0.00 57.03 55.81 2pkd h ASP 47 Cb 1.26 0.37 -0.32 0.00 0.68 0.00 0.00 39.33 41.32 2pkd h ASP 47 CO 0.59 -0.09 -0.80 -0.44 -1.61 0.00 0.00 179.24 176.89 2pkd s SER 48 N -3.96 1.42 0.06 2.28 0.01 -1.26 -5.17 113.70 107.07 2pkd s SER 48 Ca -0.05 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 2pkd s SER 48 Cb 0.04 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.78 2pkd s SER 48 CO 0.24 0.04 0.50 -0.62 0.41 0.00 0.00 173.24 173.81 2pkd n GLU 49 N 3.58 0.25 0.11 12.44 -0.58 -1.24 -4.91 120.64 130.29 2pkd n GLU 49 Ca -0.21 -0.60 -0.13 0.00 -0.42 0.00 0.00 57.16 55.79 2pkd n GLU 49 Cb 0.53 0.84 -0.08 0.00 -0.57 0.00 0.00 31.44 32.15 2pkd n GLU 49 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2pkd h THR 50 N 1.45 0.88 -3.11 2.62 2.02 -1.98 -3.48 112.91 111.31 2pkd h THR 50 Ca -0.12 -0.55 -0.63 0.00 0.77 0.00 0.00 66.41 65.88 2pkd h THR 50 Cb 0.54 1.20 -0.12 0.00 -1.74 0.00 0.00 68.15 68.03 2pkd h THR 50 CO 0.16 0.12 -0.53 0.00 0.37 0.00 0.00 175.52 175.65 2pkd s ALA 51 N -5.07 3.60 0.59 6.16 0.00 -1.26 -4.56 121.76 121.22 2pkd s ALA 51 Ca -0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 2pkd s ALA 51 Cb 0.03 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 2pkd s ALA 51 CO 0.60 0.34 0.95 -2.14 0.00 0.00 0.00 175.76 175.51 2pkd s PRO 52 N -0.15 3.34 -0.12 0.00 0.02 -1.26 -2.87 135.00 133.95 2pkd s PRO 52 Ca 0.09 0.41 -0.04 0.00 0.02 0.00 0.00 61.00 61.48 2pkd s PRO 52 Cb -0.12 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2pkd s PRO 52 CO 0.01 -0.57 0.04 0.14 -0.33 0.00 0.00 177.00 176.29 2pkd s VAL 53 N -3.05 4.62 -0.07 3.83 -7.23 -0.07 -4.73 120.40 113.70 2pkd s VAL 53 Ca 0.53 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.55 2pkd s VAL 53 Cb -0.11 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2pkd s VAL 53 CO 0.49 0.56 0.09 -0.69 -0.31 0.00 0.00 175.10 175.25 2pkd s VAL 54 N -0.51 5.00 -0.22 1.32 1.01 -1.26 -1.40 120.40 124.33 2pkd s VAL 54 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2pkd s VAL 54 Cb -0.12 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2pkd s VAL 54 CO 0.02 0.52 -0.03 -0.89 0.00 0.00 0.00 175.10 174.71 2pkd s THR 55 N -1.07 1.30 0.36 3.92 2.01 -0.26 -4.99 115.64 116.91 2pkd s THR 55 Ca 0.18 -1.05 -0.25 0.00 0.31 0.00 0.00 61.69 60.88 2pkd s THR 55 Cb -0.12 -1.61 -0.10 0.00 0.01 0.00 0.00 72.50 70.68 2pkd s THR 55 CO 0.08 -0.11 0.97 -0.69 -0.69 0.00 0.00 174.62 174.18 2pkd s VAL 56 N 1.51 4.11 -0.01 3.82 1.01 -1.26 -1.01 120.40 128.57 2pkd s VAL 56 Ca -0.04 1.64 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2pkd s VAL 56 Cb -0.18 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2pkd s VAL 56 CO -0.07 0.03 0.81 0.35 0.00 0.00 0.00 175.10 176.23 2pkd n THR 57 N 0.21 0.60 -3.76 3.92 -2.24 -0.63 -4.93 114.28 107.46 2pkd n THR 57 Ca 0.03 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 2pkd n THR 57 Cb 0.51 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.28 2pkd n THR 57 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pkd s HIS 58 N -0.67 -0.32 0.19 4.78 5.04 -1.25 -4.79 115.29 118.26 2pkd s HIS 58 Ca 0.02 0.72 0.22 0.00 -1.54 0.00 0.00 55.06 54.48 2pkd s HIS 58 Cb 0.02 0.12 0.87 0.00 0.04 0.00 0.00 32.58 33.63 2pkd s HIS 58 CO 0.00 -0.25 1.81 0.07 -2.34 0.00 0.00 174.74 174.04 2pkd h ARG 59 N 5.05 0.00 -0.37 2.88 -0.00 -1.93 -2.20 114.38 117.80 2pkd h ARG 59 Ca -0.27 0.00 0.11 0.00 -0.00 0.00 0.00 59.98 59.81 2pkd h ARG 59 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.14 2pkd h ARG 59 CO 0.32 0.28 0.49 -0.91 -0.00 0.00 0.00 179.97 180.15 2pkd h ASN 60 N 0.00 0.00 -0.00 0.08 4.21 -1.97 -2.43 115.58 115.47 2pkd h ASN 60 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2pkd h ASN 60 Cb 0.76 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2pkd h ASN 60 CO 0.04 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.96 2pkd n TYR 61 N -3.50 0.00 -1.56 1.19 4.02 -0.84 -5.01 117.16 111.47 2pkd n TYR 61 Ca 0.07 -0.06 -0.48 0.00 -0.01 0.00 0.00 57.90 57.42 2pkd n TYR 61 Cb 0.65 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.93 2pkd n TYR 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pkd n TYR 62 N 0.00 1.06 -0.66 -0.72 0.53 -0.92 -1.82 117.16 114.64 2pkd n TYR 62 Ca 0.01 0.73 0.00 0.00 -1.02 0.00 0.00 57.90 57.62 2pkd n TYR 62 Cb 0.05 -2.23 0.00 0.00 -1.03 0.00 0.00 39.34 36.13 2pkd n TYR 62 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 2pkd n GLU 63 N 1.35 -0.72 -0.09 -0.72 -0.58 -1.26 -4.81 120.64 113.81 2pkd n GLU 63 Ca 0.14 0.18 0.03 0.00 -0.42 0.00 0.00 57.16 57.08 2pkd n GLU 63 Cb 0.26 -4.58 0.08 0.00 -0.57 0.00 0.00 31.44 26.63 2pkd n GLU 63 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2pkd n ARG 64 N -0.87 2.91 -4.72 3.49 1.74 -0.75 -4.95 116.66 113.50 2pkd n ARG 64 Ca 0.00 -1.80 -0.33 0.00 -0.77 0.00 0.00 57.85 54.95 2pkd n ARG 64 Cb 0.18 -1.15 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 2pkd n ARG 64 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pkd s ILE 65 N -1.07 2.32 0.03 0.55 -1.09 -1.25 -0.78 121.20 119.91 2pkd s ILE 65 Ca 0.12 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 2pkd s ILE 65 Cb 0.07 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 2pkd s ILE 65 CO 0.07 0.54 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.19 2pkd s HIS 66 N 0.71 1.21 0.21 3.97 3.76 0.36 -4.92 115.29 120.59 2pkd s HIS 66 Ca -0.09 -0.33 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 2pkd s HIS 66 Cb -0.16 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 2pkd s HIS 66 CO 0.01 0.02 -0.17 0.00 -0.85 0.00 0.00 174.74 173.75 2pkd s ALA 67 N -0.75 2.74 -0.07 -1.40 0.00 -1.26 0.21 121.76 121.23 2pkd s ALA 67 Ca 0.02 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.37 2pkd s ALA 67 Cb -0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2pkd s ALA 67 CO 0.01 0.39 -0.19 -0.51 0.00 0.00 0.00 175.76 175.47 2pkd s LEU 68 N -2.97 2.45 0.09 0.00 1.02 -0.71 -4.66 118.68 113.90 2pkd s LEU 68 Ca 0.25 -0.35 -0.08 0.00 0.02 0.00 0.00 54.13 53.97 2pkd s LEU 68 Cb -0.07 -1.49 -0.06 0.00 0.02 0.00 0.00 46.19 44.59 2pkd s LEU 68 CO 0.13 0.27 0.38 -0.83 0.02 0.00 0.00 176.35 176.32 2pkd s GLY 69 N -0.28 2.29 0.00 -3.19 0.00 -1.26 -1.25 107.32 103.64 2pkd s GLY 69 Ca 0.01 -0.46 0.21 0.00 0.00 0.00 0.00 44.72 44.48 2pkd s GLY 69 CO 0.03 -0.29 1.45 -1.55 0.00 0.00 0.00 173.10 172.74 2pkd n PRO 70 N 0.65 2.63 0.00 2.90 -0.04 -1.26 -4.88 135.00 135.00 2pkd n PRO 70 Ca -0.06 -2.45 0.13 0.00 -0.04 0.00 0.00 63.50 61.07 2pkd n PRO 70 Cb 0.52 -1.51 0.33 0.00 -0.04 0.00 0.00 33.50 32.80 2pkd n PRO 70 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pkd n ASN 71 N 1.45 0.55 -1.51 3.54 0.23 -1.18 -4.60 115.26 113.74 2pkd n ASN 71 Ca 0.21 -0.32 -0.17 0.00 -0.53 0.00 0.00 54.58 53.77 2pkd n ASN 71 Cb 0.59 0.14 -0.05 0.00 -2.08 0.00 0.00 39.78 38.37 2pkd n ASN 71 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2pkd n TYR 72 N -1.30 -0.28 -1.95 -2.53 4.02 -0.38 -1.22 117.16 113.52 2pkd n TYR 72 Ca 0.07 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.59 2pkd n TYR 72 Cb 0.33 -3.09 0.02 0.00 -0.02 0.00 0.00 39.34 36.59 2pkd n TYR 72 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2pkd s ASN 73 N -2.62 5.59 -0.13 7.72 0.01 -1.24 -4.69 114.94 119.57 2pkd s ASN 73 Ca 0.00 2.60 -0.05 0.00 -0.71 0.00 0.00 52.86 54.70 2pkd s ASN 73 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 2pkd s ASN 73 CO 0.00 -1.34 0.06 -0.22 -1.51 0.00 0.00 177.10 174.09 2pkd s LEU 74 N -3.35 3.87 -0.19 0.60 2.96 -1.09 -1.74 118.68 119.74 2pkd s LEU 74 Ca 0.69 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2pkd s LEU 74 Cb -0.36 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 2pkd s LEU 74 CO 0.43 0.30 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.99 2pkd s VAL 75 N -0.41 3.16 -0.36 1.68 1.01 0.13 -0.26 120.40 125.36 2pkd s VAL 75 Ca 0.09 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 2pkd s VAL 75 Cb -0.12 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2pkd s VAL 75 CO 0.02 0.47 0.27 -0.63 0.00 0.00 0.00 175.10 175.22 2pkd s ILE 76 N 1.13 5.27 0.53 2.22 1.01 -0.96 -0.49 121.20 129.91 2pkd s ILE 76 Ca 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.41 2pkd s ILE 76 Cb -0.14 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.59 2pkd s ILE 76 CO -0.02 -0.09 0.74 -0.94 0.00 0.00 0.00 174.94 174.63 2pkd s SER 77 N 1.72 5.26 -1.46 3.58 1.04 0.04 -1.88 113.70 121.99 2pkd s SER 77 Ca 0.06 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 2pkd s SER 77 Cb -0.18 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2pkd s SER 77 CO 0.11 -1.13 0.27 0.47 0.98 0.00 0.00 173.24 173.93 2pkd n ASP 78 N -2.23 0.11 -4.58 7.02 10.43 -0.81 -4.81 116.55 121.69 2pkd n ASP 78 Ca 0.10 -1.11 -0.41 0.00 2.57 0.00 0.00 54.79 55.94 2pkd n ASP 78 Cb 0.60 -2.52 0.01 0.00 1.84 0.00 0.00 41.12 41.06 2pkd n ASP 78 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2pkd n LEU 79 N -4.47 2.26 -4.56 0.64 4.77 0.36 -4.50 117.00 111.50 2pkd n LEU 79 Ca -0.31 0.99 -0.26 0.00 -0.03 0.00 0.00 56.01 56.40 2pkd n LEU 79 Cb 0.69 -1.31 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 2pkd n LEU 79 CO 0.79 -1.76 -0.37 -0.13 -1.33 0.00 0.00 177.39 174.59 2pkd s ARG 80 N -2.01 1.88 0.37 3.23 0.52 -1.26 -0.68 118.95 120.99 2pkd s ARG 80 Ca 0.64 -1.88 0.19 0.00 -0.52 0.00 0.00 55.73 54.16 2pkd s ARG 80 Cb -0.55 -1.76 0.56 0.00 0.52 0.00 0.00 34.95 33.72 2pkd s ARG 80 CO 0.56 0.15 1.67 1.98 0.02 0.00 0.00 175.30 179.68 2pkd h MET 81 N 1.98 0.00 -0.00 3.54 1.85 -1.96 -2.78 114.93 117.55 2pkd h MET 81 Ca -0.42 0.00 -0.17 0.00 -0.61 0.00 0.00 59.70 58.50 2pkd h MET 81 Cb 1.25 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.26 2pkd h MET 81 CO 0.69 0.37 -0.79 1.49 -0.40 0.00 0.00 176.91 178.27 2pkd h GLU 82 N 0.00 0.02 -0.13 0.39 4.57 -2.02 -3.01 114.58 114.40 2pkd h GLU 82 Ca -0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2pkd h GLU 82 Cb 1.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2pkd h GLU 82 CO 0.05 0.80 0.53 -0.44 -1.18 0.00 0.00 179.01 178.77 2pkd h ASP 83 N 0.01 0.00 -4.29 1.04 3.32 -1.91 -3.44 116.42 111.15 2pkd h ASP 83 Ca -0.01 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 2pkd h ASP 83 Cb 1.39 0.00 0.14 0.00 0.22 0.00 0.00 39.33 41.09 2pkd h ASP 83 CO 0.10 0.00 0.31 0.00 -1.72 0.00 0.00 179.24 177.93 2pkd s ALA 84 N -4.18 2.12 0.00 3.45 0.00 -1.14 -4.91 121.76 117.10 2pkd s ALA 84 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2pkd s ALA 84 Cb 0.08 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2pkd s ALA 84 CO 0.28 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.53 2pkd n GLY 85 N -0.81 -0.40 3.71 0.00 0.00 0.44 -4.95 105.19 103.18 2pkd n GLY 85 Ca 0.10 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2pkd n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pkd s ASP 86 N -4.00 7.19 0.18 1.61 -0.00 -1.26 -1.09 116.67 119.30 2pkd s ASP 86 Ca 0.00 1.45 0.11 0.00 -0.00 0.00 0.00 52.55 54.11 2pkd s ASP 86 Cb 0.00 -2.50 -0.04 0.00 -0.00 0.00 0.00 42.92 40.38 2pkd s ASP 86 CO 0.00 -0.21 -0.25 -0.31 -0.00 0.00 0.00 175.17 174.41 2pkd s TYR 87 N 0.98 2.31 -0.06 4.23 1.51 -0.10 -4.10 117.35 122.10 2pkd s TYR 87 Ca 0.45 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 56.11 2pkd s TYR 87 Cb -0.19 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 2pkd s TYR 87 CO 0.23 0.46 0.16 0.21 -1.11 0.00 0.00 175.55 175.50 2pkd s LYS 88 N -2.53 0.15 -0.18 -0.62 2.20 0.12 -0.96 119.74 117.92 2pkd s LYS 88 Ca 0.19 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2pkd s LYS 88 Cb -0.08 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 2pkd s LYS 88 CO 0.09 -0.08 -0.14 0.00 -0.36 0.00 0.00 175.35 174.86 2pkd s ALA 89 N 0.54 2.52 -0.56 3.13 0.00 -0.48 -0.77 121.76 126.14 2pkd s ALA 89 Ca -0.04 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 2pkd s ALA 89 Cb -0.05 -1.33 0.11 0.00 0.00 0.00 0.00 23.12 21.85 2pkd s ALA 89 CO -0.03 -0.25 0.60 -0.51 0.00 0.00 0.00 175.76 175.58 2pkd s ASP 90 N 1.15 6.19 -0.33 0.00 -0.00 0.90 -1.49 116.67 123.08 2pkd s ASP 90 Ca 0.01 -1.57 -0.16 0.00 -0.00 0.00 0.00 52.55 50.83 2pkd s ASP 90 Cb -0.14 -2.26 -0.01 0.00 -0.00 0.00 0.00 42.92 40.51 2pkd s ASP 90 CO -0.05 -0.98 0.41 -0.63 -0.00 0.00 0.00 175.17 173.91 2pkd s ILE 91 N 2.18 5.13 -0.24 0.77 1.01 0.45 -1.52 121.20 128.99 2pkd s ILE 91 Ca 0.08 0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 2pkd s ILE 91 Cb -0.27 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2pkd s ILE 91 CO 0.05 -0.08 0.06 0.20 0.00 0.00 0.00 174.94 175.17 2pkd s ASN 92 N 1.72 5.18 0.46 3.58 0.01 0.62 -1.07 114.94 125.44 2pkd s ASN 92 Ca 0.14 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 2pkd s ASN 92 Cb -0.16 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 2pkd s ASN 92 CO 0.12 0.00 0.04 0.42 -1.51 0.00 0.00 177.10 176.17 2pkd s THR 93 N 1.38 1.17 -0.80 1.60 -4.23 -0.54 -0.09 115.64 114.13 2pkd s THR 93 Ca 0.05 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.83 2pkd s THR 93 Cb -0.15 -2.37 0.27 0.00 1.34 0.00 0.00 72.50 71.59 2pkd s THR 93 CO 0.03 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.92 2pkd n GLN 94 N -1.10 0.18 -4.21 3.99 6.02 0.23 -4.64 117.38 117.84 2pkd n GLN 94 Ca -0.13 0.17 -0.12 0.00 -0.01 0.00 0.00 57.00 56.91 2pkd n GLN 94 Cb 0.67 -1.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 2pkd n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pkd s ALA 95 N -3.08 1.21 0.15 -1.58 0.00 -1.26 -4.97 121.76 112.22 2pkd s ALA 95 Ca 0.11 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 2pkd s ALA 95 Cb 0.14 0.20 -0.13 0.00 0.00 0.00 0.00 23.12 23.33 2pkd s ALA 95 CO 0.56 -0.21 0.42 -3.47 0.00 0.00 0.00 175.76 173.06 2pkd n ASP 96 N -0.13 -0.91 -0.09 0.00 2.03 -1.26 -1.45 116.55 114.73 2pkd n ASP 96 Ca -0.10 0.87 0.01 0.00 0.52 0.00 0.00 54.79 56.08 2pkd n ASP 96 Cb 0.61 -0.73 0.02 0.00 -0.72 0.00 0.00 41.12 40.31 2pkd n ASP 96 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pkd n PRO 97 N 0.78 1.11 0.00 -0.67 -0.04 -1.26 -4.97 135.00 129.96 2pkd n PRO 97 Ca 0.14 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2pkd n PRO 97 Cb 0.18 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2pkd n PRO 97 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pkd n TYR 98 N -0.36 0.00 -3.72 0.54 4.02 -0.53 -4.78 117.16 112.33 2pkd n TYR 98 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.70 2pkd n TYR 98 Cb 0.04 0.00 -0.18 0.00 -0.02 0.00 0.00 39.34 39.18 2pkd n TYR 98 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2pkd s THR 99 N 0.00 0.07 0.10 -0.72 2.01 -1.26 -1.47 115.64 114.37 2pkd s THR 99 Ca 0.00 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.40 2pkd s THR 99 Cb 0.00 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2pkd s THR 99 CO 0.00 0.20 -0.23 0.28 -0.69 0.00 0.00 174.62 174.18 2pkd s THR 100 N 2.03 2.45 -0.08 -0.82 -1.32 -0.23 -4.94 115.64 112.71 2pkd s THR 100 Ca 0.04 -1.54 0.04 0.00 -1.21 0.00 0.00 61.69 59.02 2pkd s THR 100 Cb -0.12 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.81 2pkd s THR 100 CO -0.04 0.19 -0.22 -0.89 -2.21 0.00 0.00 174.62 171.45 2pkd s THR 101 N -1.01 1.86 -0.08 5.08 2.01 -1.26 -0.41 115.64 121.83 2pkd s THR 101 Ca 0.15 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2pkd s THR 101 Cb -0.10 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2pkd s THR 101 CO 0.06 0.52 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.90 2pkd s LYS 102 N 0.28 2.84 -0.10 4.92 1.02 -0.56 -4.91 119.74 123.24 2pkd s LYS 102 Ca -0.14 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.31 2pkd s LYS 102 Cb -0.16 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2pkd s LYS 102 CO 0.07 0.62 -0.12 1.03 -0.92 0.00 0.00 175.35 176.02 2pkd s ARG 103 N -0.69 3.01 0.14 1.68 0.52 -1.26 -1.38 118.95 120.97 2pkd s ARG 103 Ca 0.10 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 2pkd s ARG 103 Cb -0.11 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 2pkd s ARG 103 CO 0.02 0.41 -0.11 0.71 0.02 0.00 0.00 175.30 176.34 2pkd s TYR 104 N -0.16 1.31 -0.22 -0.53 2.02 -0.13 -1.15 117.35 118.49 2pkd s TYR 104 Ca 0.00 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 2pkd s TYR 104 Cb -0.13 -0.67 0.05 0.00 -0.40 0.00 0.00 41.96 40.81 2pkd s TYR 104 CO 0.03 0.12 -0.06 1.21 -1.57 0.00 0.00 175.55 175.28 2pkd s ASN 105 N -2.92 3.60 -0.42 2.29 2.47 -0.25 -0.92 114.94 118.79 2pkd s ASN 105 Ca 0.14 -1.04 -0.19 0.00 0.42 0.00 0.00 52.86 52.19 2pkd s ASN 105 Cb -0.00 -1.14 0.02 0.00 -1.45 0.00 0.00 41.25 38.67 2pkd s ASN 105 CO 0.02 -0.21 0.52 -0.22 -3.72 0.00 0.00 177.10 173.48 2pkd s LEU 106 N 1.44 4.70 -0.22 3.21 2.96 -0.25 -0.51 118.68 130.01 2pkd s LEU 106 Ca -0.04 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.19 2pkd s LEU 106 Cb -0.18 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2pkd s LEU 106 CO -0.07 -0.65 0.40 -1.10 -1.32 0.00 0.00 176.35 173.62 2pkd s GLN 107 N 2.40 4.14 -0.06 1.98 -0.21 -0.08 -0.42 119.66 127.41 2pkd s GLN 107 Ca 0.16 0.19 -0.00 0.00 0.02 0.00 0.00 55.36 55.73 2pkd s GLN 107 Cb -0.16 -3.56 -0.03 0.00 1.00 0.00 0.00 33.01 30.26 2pkd s GLN 107 CO 0.16 -0.10 -0.03 0.42 -2.12 0.00 0.00 175.29 173.62 2pkd s ILE 108 N 1.49 4.04 0.28 1.08 -1.09 -1.26 0.04 121.20 125.78 2pkd s ILE 108 Ca 0.19 -0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.27 2pkd s ILE 108 Cb -0.15 -2.70 -0.06 0.00 -1.58 0.00 0.00 42.46 37.97 2pkd s ILE 108 CO 0.08 0.56 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.98 2pkd s TYR 109 N -0.89 1.96 0.80 3.97 2.02 -0.32 -4.96 117.35 119.93 2pkd s TYR 109 Ca 0.14 -0.67 -0.10 0.00 -0.37 0.00 0.00 57.07 56.06 2pkd s TYR 109 Cb -0.11 -1.10 0.07 0.00 -0.40 0.00 0.00 41.96 40.42 2pkd s TYR 109 CO 0.03 0.31 1.10 -0.98 -1.57 0.00 0.00 175.55 174.44 2pkd s ARG 110 N -3.71 2.04 0.00 -0.62 1.70 -1.26 -1.71 118.95 115.38 2pkd s ARG 110 Ca 0.29 1.20 0.16 0.00 -0.47 0.00 0.00 55.73 56.91 2pkd s ARG 110 Cb 0.03 -1.87 0.93 0.00 -0.57 0.00 0.00 34.95 33.48 2pkd s ARG 110 CO 0.12 -1.80 1.35 -2.13 -1.08 0.00 0.00 175.30 171.75