#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkp s SER 2 N 0.00 -0.02 -0.09 1.61 0.15 -1.26 -5.16 113.70 108.93 2dkp s SER 2 Ca 0.00 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2dkp s SER 2 Cb 0.00 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2dkp s SER 2 CO 0.00 -1.20 -0.08 -0.55 1.20 0.00 0.00 173.24 172.61 2dkp s SER 3 N -3.24 1.84 -0.61 5.45 0.15 -1.26 -5.07 113.70 110.95 2dkp s SER 3 Ca 0.19 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.64 2dkp s SER 3 Cb -0.03 -0.74 0.21 0.00 -1.71 0.00 0.00 66.02 63.75 2dkp s SER 3 CO 0.07 -0.08 0.57 0.61 1.20 0.00 0.00 173.24 175.61 2dkp n GLY 4 N 4.55 3.95 3.31 9.45 0.00 -1.26 -5.05 105.19 120.14 2dkp n GLY 4 Ca -0.16 -2.39 -0.11 0.00 0.00 0.00 0.00 46.02 43.37 2dkp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkp s SER 5 N -1.61 -0.54 -0.41 1.61 0.15 -1.26 -5.13 113.70 106.51 2dkp s SER 5 Ca 0.32 0.94 -0.26 0.00 0.70 0.00 0.00 55.95 57.65 2dkp s SER 5 Cb 0.06 0.83 0.02 0.00 -1.71 0.00 0.00 66.02 65.23 2dkp s SER 5 CO -0.11 -0.19 0.96 -0.94 1.20 0.00 0.00 173.24 174.16 2dkp s SER 6 N 1.24 6.62 0.00 5.45 1.04 -1.26 -4.55 113.70 122.24 2dkp s SER 6 Ca -0.08 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2dkp s SER 6 Cb -0.07 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dkp s SER 6 CO -0.11 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2dkp n GLY 7 N 4.62 -2.44 0.22 7.32 0.00 -1.26 -5.06 105.19 108.60 2dkp n GLY 7 Ca 0.08 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 2dkp n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkp n LYS 8 N 0.07 0.50 -3.84 1.61 5.02 -1.26 -5.05 118.16 115.22 2dkp n LYS 8 Ca 0.00 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 2dkp n LYS 8 Cb 0.00 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 2dkp n LYS 8 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dkp s ARG 9 N -2.42 0.48 -0.78 1.97 6.06 -1.26 -5.08 118.95 117.92 2dkp s ARG 9 Ca -0.31 -0.27 -0.25 0.00 -2.50 0.00 0.00 55.73 52.40 2dkp s ARG 9 Cb 0.11 0.21 -0.17 0.00 0.06 0.00 0.00 34.95 35.15 2dkp s ARG 9 CO 0.44 -0.12 2.47 0.43 -2.50 0.00 0.00 175.30 176.02 2dkp n SER 10 N 1.62 1.00 -4.64 -2.12 7.64 -1.26 -4.89 113.62 110.97 2dkp n SER 10 Ca -0.21 -0.45 -0.36 0.00 1.01 0.00 0.00 58.87 58.85 2dkp n SER 10 Cb 0.56 -1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 2dkp n SER 10 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2dkp s ASN 11 N 9.13 5.97 0.44 6.43 2.47 -1.26 -5.09 114.94 133.03 2dkp s ASN 11 Ca 1.15 0.08 0.05 0.00 0.42 0.00 0.00 52.86 54.57 2dkp s ASN 11 Cb -0.63 -2.07 0.05 0.00 -1.45 0.00 0.00 41.25 37.16 2dkp s ASN 11 CO 0.35 0.08 0.45 -1.20 -3.72 0.00 0.00 177.10 173.06 2dkp n SER 12 N 4.21 2.06 -4.36 -4.21 7.64 -1.26 -5.15 113.62 112.54 2dkp n SER 12 Ca -0.15 -2.35 -0.22 0.00 1.01 0.00 0.00 58.87 57.15 2dkp n SER 12 Cb 0.52 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 2dkp n SER 12 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2dkp s ILE 13 N -1.98 1.96 -0.02 0.44 1.01 -1.26 -5.15 121.20 116.20 2dkp s ILE 13 Ca 0.34 -2.04 0.01 0.00 0.00 0.00 0.00 60.65 58.96 2dkp s ILE 13 Cb -0.03 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.49 2dkp s ILE 13 CO 0.22 -0.34 -0.03 -0.75 0.00 0.00 0.00 174.94 174.03 2dkp s LYS 14 N -3.00 0.47 -0.23 2.79 2.36 -1.26 -5.05 119.74 115.82 2dkp s LYS 14 Ca 0.19 -0.09 -0.18 0.00 -2.55 0.00 0.00 55.97 53.34 2dkp s LYS 14 Cb -0.05 -0.51 -0.03 0.00 -1.05 0.00 0.00 37.83 36.19 2dkp s LYS 14 CO 0.08 0.00 0.52 0.50 1.55 0.00 0.00 175.35 178.00 2dkp s ARG 15 N 0.41 4.12 -0.40 4.03 3.52 -1.26 -5.04 118.95 124.34 2dkp s ARG 15 Ca -0.05 0.36 -0.25 0.00 -0.13 0.00 0.00 55.73 55.67 2dkp s ARG 15 Cb -0.08 -3.61 0.02 0.00 -1.56 0.00 0.00 34.95 29.72 2dkp s ARG 15 CO -0.00 -0.26 0.89 1.21 -0.81 0.00 0.00 175.30 176.32 2dkp s ASN 16 N 1.36 6.59 0.16 -2.12 2.47 -1.26 -4.95 114.94 117.19 2dkp s ASN 16 Ca 0.22 0.37 -0.27 0.00 0.42 0.00 0.00 52.86 53.60 2dkp s ASN 16 Cb -0.15 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2dkp s ASN 16 CO 0.09 -0.89 1.57 -0.65 -3.72 0.00 0.00 177.10 173.51 2dkp h PRO 17 N 8.67 -0.29 -0.74 0.43 0.11 -2.03 -1.53 132.00 136.62 2dkp h PRO 17 Ca -0.24 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.03 2dkp h PRO 17 Cb 1.08 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 2dkp h PRO 17 CO 0.98 -0.19 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.42 2dkp h ASN 18 N -0.30 -0.89 0.00 -2.05 2.35 -2.05 -3.40 115.58 109.23 2dkp h ASN 18 Ca 0.15 0.24 -0.46 0.00 -0.55 0.00 0.00 56.30 55.68 2dkp h ASN 18 Cb 0.58 0.53 -0.07 0.00 0.05 0.00 0.00 38.32 39.41 2dkp h ASN 18 CO -0.61 -0.27 1.40 0.00 -1.65 0.00 0.00 177.43 176.30 2dkp n ALA 19 N -3.26 0.23 -1.56 -0.83 0.00 -0.58 -4.73 120.51 109.79 2dkp n ALA 19 Ca 0.09 -0.16 -0.52 0.00 0.00 0.00 0.00 53.44 52.85 2dkp n ALA 19 Cb 0.38 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 2dkp n ALA 19 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dkp n PRO 20 N 6.93 0.90 -2.68 0.00 -0.02 -1.26 -4.65 135.00 134.22 2dkp n PRO 20 Ca 0.53 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.91 2dkp n PRO 20 Cb 0.01 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 2dkp n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dkp s VAL 21 N 0.05 4.52 0.08 -1.45 1.01 -1.26 -4.36 120.40 118.99 2dkp s VAL 21 Ca 0.80 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 64.15 2dkp s VAL 21 Cb -0.96 -4.40 -0.11 0.00 0.00 0.00 0.00 36.38 30.91 2dkp s VAL 21 CO 0.51 -0.50 1.60 0.58 0.00 0.00 0.00 175.10 177.28 2dkp h VAL 22 N 5.77 1.17 -1.39 2.92 2.07 -1.14 -3.47 116.25 122.17 2dkp h VAL 22 Ca -0.21 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 66.92 2dkp h VAL 22 Cb 1.07 1.25 -0.27 0.00 -1.52 0.00 0.00 31.29 31.82 2dkp h VAL 22 CO 1.02 0.15 0.65 -0.60 0.02 0.00 0.00 177.57 178.81 2dkp s ARG 23 N -5.46 0.37 -0.03 1.57 6.06 -1.21 -5.01 118.95 115.23 2dkp s ARG 23 Ca -0.14 0.27 -0.00 0.00 -2.50 0.00 0.00 55.73 53.36 2dkp s ARG 23 Cb 0.06 0.18 0.03 0.00 0.06 0.00 0.00 34.95 35.28 2dkp s ARG 23 CO 0.70 -0.08 0.03 -0.98 -2.50 0.00 0.00 175.30 172.47 2dkp s ARG 24 N -0.36 0.08 0.14 5.12 1.70 -1.26 -0.19 118.95 124.17 2dkp s ARG 24 Ca 0.04 0.18 -0.24 0.00 -0.47 0.00 0.00 55.73 55.24 2dkp s ARG 24 Cb -0.03 -0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.03 2dkp s ARG 24 CO -0.06 -0.19 0.66 0.20 -1.08 0.00 0.00 175.30 174.83 2dkp s GLY 25 N 1.27 -0.54 -0.74 3.88 0.00 -0.55 -5.00 107.32 105.64 2dkp s GLY 25 Ca -0.06 0.49 -0.26 0.00 0.00 0.00 0.00 44.72 44.89 2dkp s GLY 25 CO -0.03 0.16 1.81 -0.98 0.00 0.00 0.00 173.10 174.07 2dkp s TRP 26 N -3.66 1.81 0.21 1.90 0.52 -1.26 -2.21 118.94 116.25 2dkp s TRP 26 Ca 0.03 0.57 0.01 0.00 0.02 0.00 0.00 56.10 56.72 2dkp s TRP 26 Cb -0.01 -4.16 -0.04 0.00 -1.15 0.00 0.00 33.47 28.11 2dkp s TRP 26 CO -0.10 -2.08 0.38 -1.17 0.02 0.00 0.00 176.95 173.99 2dkp s LEU 27 N 8.87 4.24 -0.16 2.99 2.96 -0.98 -4.85 118.68 131.75 2dkp s LEU 27 Ca 0.64 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.79 2dkp s LEU 27 Cb -0.10 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 2dkp s LEU 27 CO 0.11 -0.05 0.07 -0.31 -1.32 0.00 0.00 176.35 174.85 2dkp s TYR 28 N -1.90 3.29 0.41 5.38 2.02 -1.26 -2.39 117.35 122.90 2dkp s TYR 28 Ca 0.37 0.16 0.07 0.00 -0.37 0.00 0.00 57.07 57.30 2dkp s TYR 28 Cb -0.11 -2.03 -0.07 0.00 -0.40 0.00 0.00 41.96 39.35 2dkp s TYR 28 CO 0.30 0.28 0.03 0.21 -1.57 0.00 0.00 175.55 174.80 2dkp s LYS 29 N 0.03 2.00 -0.13 -0.62 2.20 -0.41 -3.42 119.74 119.38 2dkp s LYS 29 Ca 0.06 -2.05 -0.12 0.00 -0.36 0.00 0.00 55.97 53.51 2dkp s LYS 29 Cb -0.12 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.44 2dkp s LYS 29 CO 0.01 -0.05 0.24 -1.14 -0.36 0.00 0.00 175.35 174.06 2dkp s GLN 30 N -3.74 4.00 -0.01 4.03 2.00 -1.11 -0.53 119.66 124.30 2dkp s GLN 30 Ca 0.36 0.03 -0.06 0.00 -2.00 0.00 0.00 55.36 53.69 2dkp s GLN 30 Cb 0.08 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 2dkp s GLN 30 CO 0.19 0.44 0.23 -0.51 -0.50 0.00 0.00 175.29 175.14 2dkp s ASP 31 N -0.13 6.45 0.01 6.67 1.11 -1.09 -4.88 116.67 124.81 2dkp s ASP 31 Ca 0.16 0.50 -0.25 0.00 0.18 0.00 0.00 52.55 53.13 2dkp s ASP 31 Cb -0.13 -2.07 -0.14 0.00 1.07 0.00 0.00 42.92 41.65 2dkp s ASP 31 CO 0.04 0.28 1.07 -1.28 1.18 0.00 0.00 175.17 176.46 2dkp h SER 32 N 4.07 -0.71 -3.31 0.27 0.87 -1.98 -3.40 113.55 109.36 2dkp h SER 32 Ca -0.50 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.53 2dkp h SER 32 Cb 1.20 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 63.36 2dkp h SER 32 CO 0.66 -0.33 0.58 0.28 -0.53 0.00 0.00 176.83 177.49 2dkp s THR 33 N -4.52 3.69 0.00 2.23 -1.32 -1.26 -4.66 115.64 109.80 2dkp s THR 33 Ca -0.13 1.31 0.00 0.00 -1.21 0.00 0.00 61.69 61.66 2dkp s THR 33 Cb 0.01 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 2dkp s THR 33 CO 0.42 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 2dkp n GLY 34 N 2.73 -0.18 2.04 6.08 0.00 -1.26 -4.70 105.19 109.90 2dkp n GLY 34 Ca 0.07 -2.25 -0.18 0.00 0.00 0.00 0.00 46.02 43.66 2dkp n GLY 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dkp n MET 35 N 0.00 1.93 -3.84 1.61 2.81 -1.26 -4.77 117.12 113.60 2dkp n MET 35 Ca 0.00 -1.63 -0.26 0.00 -1.81 0.00 0.00 57.70 53.99 2dkp n MET 35 Cb 0.00 -1.75 0.02 0.00 -0.71 0.00 0.00 33.22 30.78 2dkp n MET 35 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dkp n LYS 36 N 0.74 -5.04 -1.95 0.03 4.01 -1.26 -4.96 118.16 109.72 2dkp n LYS 36 Ca 0.34 0.59 -0.29 0.00 -0.51 0.00 0.00 58.31 58.44 2dkp n LYS 36 Cb 0.59 -5.27 0.08 0.00 -0.51 0.00 0.00 35.03 29.92 2dkp n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dkp s LEU 37 N -7.01 2.61 -0.12 -0.35 1.43 -1.26 -4.82 118.68 109.15 2dkp s LEU 37 Ca 0.34 0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 54.15 2dkp s LEU 37 Cb -0.17 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2dkp s LEU 37 CO 0.83 -1.78 0.13 0.26 0.23 0.00 0.00 176.35 176.02 2dkp s TRP 38 N -3.50 3.57 0.01 0.29 0.52 -1.26 -2.66 118.94 115.91 2dkp s TRP 38 Ca 0.61 0.50 0.08 0.00 0.02 0.00 0.00 56.10 57.32 2dkp s TRP 38 Cb -0.11 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 2dkp s TRP 38 CO 0.49 0.71 -0.25 0.15 0.02 0.00 0.00 176.95 178.07 2dkp s LYS 39 N -0.98 2.01 0.06 4.98 -0.14 0.31 -4.91 119.74 121.07 2dkp s LYS 39 Ca 0.15 -0.99 -0.21 0.00 -1.36 0.00 0.00 55.97 53.56 2dkp s LYS 39 Cb -0.12 -2.06 -0.06 0.00 -1.68 0.00 0.00 37.83 33.91 2dkp s LYS 39 CO 0.04 0.54 0.63 0.21 -0.76 0.00 0.00 175.35 176.01 2dkp s LYS 40 N -0.95 4.32 -0.18 1.68 2.20 -1.26 -1.29 119.74 124.26 2dkp s LYS 40 Ca 0.11 0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 56.28 2dkp s LYS 40 Cb -0.10 -3.29 0.08 0.00 -1.51 0.00 0.00 37.83 33.00 2dkp s LYS 40 CO 0.01 0.50 0.74 0.50 -0.36 0.00 0.00 175.35 176.74 2dkp s ARG 41 N -0.67 0.88 -0.27 4.03 6.06 -1.00 -5.00 118.95 122.98 2dkp s ARG 41 Ca 0.32 0.66 -0.29 0.00 -2.50 0.00 0.00 55.73 53.91 2dkp s ARG 41 Cb -0.20 0.42 -0.02 0.00 0.06 0.00 0.00 34.95 35.22 2dkp s ARG 41 CO 0.20 -0.19 1.62 -0.46 -2.50 0.00 0.00 175.30 173.97 2dkp s TRP 42 N -0.28 2.09 0.06 5.12 -0.00 -1.26 -2.32 118.94 122.36 2dkp s TRP 42 Ca -0.04 0.59 0.05 0.00 -0.00 0.00 0.00 56.10 56.69 2dkp s TRP 42 Cb -0.03 -4.05 -0.04 0.00 -0.00 0.00 0.00 33.47 29.35 2dkp s TRP 42 CO 0.04 -2.79 -0.03 -0.06 -0.00 0.00 0.00 176.95 174.10 2dkp s PHE 43 N 5.57 2.93 -0.01 5.86 0.08 -0.94 -2.78 117.98 128.69 2dkp s PHE 43 Ca 0.72 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.73 2dkp s PHE 43 Cb -0.23 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2dkp s PHE 43 CO 0.30 0.44 -0.01 0.08 -0.10 0.00 0.00 175.22 175.94 2dkp s VAL 44 N -1.20 0.14 -0.53 -0.44 1.01 -0.17 -1.49 120.40 117.73 2dkp s VAL 44 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2dkp s VAL 44 Cb -0.11 -0.16 0.14 0.00 0.00 0.00 0.00 36.38 36.24 2dkp s VAL 44 CO 0.14 0.07 0.41 -0.22 0.00 0.00 0.00 175.10 175.50 2dkp s LEU 45 N 0.28 5.81 0.08 3.92 1.98 0.73 -2.32 118.68 129.16 2dkp s LEU 45 Ca -0.02 -2.08 0.03 0.00 -2.89 0.00 0.00 54.13 49.17 2dkp s LEU 45 Cb -0.05 -2.03 -0.03 0.00 0.66 0.00 0.00 46.19 44.73 2dkp s LEU 45 CO -0.01 -0.67 -0.09 -0.94 -1.89 0.00 0.00 176.35 172.76 2dkp s SER 46 N 2.51 1.28 -1.05 3.68 1.04 -1.16 -0.51 113.70 119.49 2dkp s SER 46 Ca 0.08 -0.78 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 2dkp s SER 46 Cb -0.24 0.03 0.07 0.00 0.10 0.00 0.00 66.02 65.98 2dkp s SER 46 CO -0.02 -0.28 0.33 -0.67 0.98 0.00 0.00 173.24 173.59 2dkp n ASP 47 N 0.68 -2.77 -3.68 7.02 2.03 -1.26 0.58 116.55 119.14 2dkp n ASP 47 Ca -0.17 -0.25 -0.27 0.00 0.52 0.00 0.00 54.79 54.62 2dkp n ASP 47 Cb 0.57 -2.36 0.03 0.00 -0.72 0.00 0.00 41.12 38.65 2dkp n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dkp n LEU 48 N -3.38 -2.60 -4.27 -2.67 7.99 -1.26 -4.96 117.00 105.85 2dkp n LEU 48 Ca -0.00 -0.62 -0.18 0.00 -0.01 0.00 0.00 56.01 55.19 2dkp n LEU 48 Cb 0.52 -2.65 -0.09 0.00 -0.11 0.00 0.00 43.42 41.10 2dkp n LEU 48 CO 0.43 0.44 -0.14 0.00 -1.51 0.00 0.00 177.39 176.60 2dkp s LEU 50 N -3.33 2.90 -0.04 0.00 1.43 -0.08 -2.96 118.68 116.60 2dkp s LEU 50 Ca 0.40 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2dkp s LEU 50 Cb 0.04 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.62 2dkp s LEU 50 CO 0.24 0.17 0.06 -0.36 0.23 0.00 0.00 176.35 176.68 2dkp s PHE 51 N 0.36 0.01 0.16 0.29 0.08 -0.98 -1.10 117.98 116.80 2dkp s PHE 51 Ca -0.08 0.24 0.09 0.00 0.12 0.00 0.00 56.93 57.29 2dkp s PHE 51 Cb -0.15 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 2dkp s PHE 51 CO 0.05 -0.15 -0.19 1.52 -0.10 0.00 0.00 175.22 176.35 2dkp s TYR 52 N 1.61 1.85 0.34 0.36 -0.85 -1.24 -1.00 117.35 118.42 2dkp s TYR 52 Ca -0.03 -0.45 0.04 0.00 -0.52 0.00 0.00 57.07 56.11 2dkp s TYR 52 Cb -0.12 -0.94 -0.03 0.00 0.38 0.00 0.00 41.96 41.25 2dkp s TYR 52 CO -0.03 0.32 0.17 0.71 -1.52 0.00 0.00 175.55 175.19 2dkp s TYR 53 N -1.87 1.69 0.19 -3.49 1.51 -1.12 -2.95 117.35 111.32 2dkp s TYR 53 Ca 0.14 -1.38 -0.12 0.00 -1.01 0.00 0.00 57.07 54.70 2dkp s TYR 53 Cb -0.07 -0.94 0.13 0.00 -0.11 0.00 0.00 41.96 40.98 2dkp s TYR 53 CO 0.06 -0.50 1.84 0.00 -1.11 0.00 0.00 175.55 175.84 2dkp h ARG 54 N 2.07 0.73 0.00 -0.62 3.08 -1.83 -3.37 114.38 114.44 2dkp h ARG 54 Ca -0.33 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 2dkp h ARG 54 Cb 1.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2dkp h ARG 54 CO 0.51 0.48 0.12 -0.25 -1.07 0.00 0.00 179.97 179.76 2dkp n ASP 55 N -4.72 -1.45 0.25 7.04 8.00 -1.26 -4.77 116.55 119.65 2dkp n ASP 55 Ca 0.05 -2.18 0.17 0.00 0.71 0.00 0.00 54.79 53.55 2dkp n ASP 55 Cb 0.07 2.46 0.77 0.00 -0.02 0.00 0.00 41.12 44.40 2dkp n ASP 55 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2dkp h GLU 56 N 0.00 0.00 -0.12 -1.24 4.11 -1.96 0.47 114.58 115.84 2dkp h GLU 56 Ca -0.22 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.24 2dkp h GLU 56 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2dkp h GLU 56 CO 0.29 0.00 0.29 0.87 0.07 0.00 0.00 179.01 180.53 2dkp h LYS 57 N 0.00 0.00 -4.99 1.06 1.79 -1.98 -3.44 116.57 109.01 2dkp h LYS 57 Ca 0.07 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.17 2dkp h LYS 57 Cb 0.85 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 2dkp h LYS 57 CO -0.00 0.00 -0.54 0.39 -1.08 0.00 0.00 179.45 178.22 2dkp n GLU 58 N -3.24 -3.64 -2.76 3.15 1.02 0.15 -4.88 120.64 110.45 2dkp n GLU 58 Ca 0.00 0.60 -0.42 0.00 -0.02 0.00 0.00 57.16 57.32 2dkp n GLU 58 Cb 0.38 -5.34 -0.03 0.00 -0.02 0.00 0.00 31.44 26.43 2dkp n GLU 58 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dkp s GLU 59 N -5.81 3.19 0.43 3.49 2.02 -1.26 -4.82 118.70 115.94 2dkp s GLU 59 Ca 0.32 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2dkp s GLU 59 Cb -0.16 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.75 2dkp s GLU 59 CO 0.40 -1.93 0.00 0.41 0.02 0.00 0.00 175.26 174.16 2dkp n GLY 60 N 5.43 -4.25 3.72 -1.39 0.00 -1.26 -4.67 105.19 102.77 2dkp n GLY 60 Ca 0.02 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2dkp n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dkp s ILE 61 N -3.45 5.18 -0.13 -0.61 1.01 -1.26 -4.47 121.20 117.47 2dkp s ILE 61 Ca 0.00 0.96 0.18 0.00 0.00 0.00 0.00 60.65 61.79 2dkp s ILE 61 Cb 0.00 -3.82 0.13 0.00 0.01 0.00 0.00 42.46 38.78 2dkp s ILE 61 CO 0.00 0.31 1.54 -0.07 0.00 0.00 0.00 174.94 176.72 2dkp h LEU 62 N 6.82 0.00 0.00 2.97 3.38 -1.88 -3.47 115.31 123.13 2dkp h LEU 62 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2dkp h LEU 62 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2dkp h LEU 62 CO 0.75 0.39 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2dkp n GLY 63 N 1.00 1.37 3.77 0.83 0.00 -1.26 -5.11 105.19 105.78 2dkp n GLY 63 Ca 0.02 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2dkp n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkp s SER 64 N 0.00 5.48 -0.09 1.61 1.04 -1.26 -3.72 113.70 116.76 2dkp s SER 64 Ca 0.00 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2dkp s SER 64 Cb 0.00 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.68 2dkp s SER 64 CO 0.00 0.17 -0.11 -0.63 0.98 0.00 0.00 173.24 173.65 2dkp s ILE 65 N -1.39 1.12 -0.46 -1.02 1.01 -0.26 -5.02 121.20 115.18 2dkp s ILE 65 Ca 0.29 -0.42 -0.26 0.00 0.00 0.00 0.00 60.65 60.26 2dkp s ILE 65 Cb -0.12 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.31 2dkp s ILE 65 CO 0.22 0.36 0.97 -0.76 0.00 0.00 0.00 174.94 175.73 2dkp s LEU 66 N 1.06 3.93 0.10 2.97 2.01 -1.26 -0.90 118.68 126.59 2dkp s LEU 66 Ca -0.07 0.19 -0.15 0.00 0.01 0.00 0.00 54.13 54.12 2dkp s LEU 66 Cb -0.15 -3.27 -0.08 0.00 0.01 0.00 0.00 46.19 42.71 2dkp s LEU 66 CO -0.01 -1.09 1.44 -0.07 1.01 0.00 0.00 176.35 177.63 2dkp h LEU 67 N 10.69 0.76 -1.52 1.79 3.38 -1.81 -3.03 115.31 125.58 2dkp h LEU 67 Ca -0.24 -0.46 0.14 0.00 0.09 0.00 0.00 57.88 57.41 2dkp h LEU 67 Cb 1.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2dkp h LEU 67 CO 1.05 1.06 0.70 -0.65 0.09 0.00 0.00 178.44 180.69 2dkp h PRO 68 N 0.48 0.00 0.00 1.13 0.11 -1.21 0.82 132.00 133.32 2dkp h PRO 68 Ca 0.05 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 2dkp h PRO 68 Cb 0.83 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 2dkp h PRO 68 CO 0.07 0.00 -1.68 0.43 -0.21 0.00 0.00 178.00 176.61 2dkp n SER 69 N -3.30 0.52 -4.86 -2.05 7.64 -1.15 -4.68 113.62 105.74 2dkp n SER 69 Ca 0.09 0.23 -0.31 0.00 1.01 0.00 0.00 58.87 59.89 2dkp n SER 69 Cb 0.88 0.72 -0.01 0.00 -1.01 0.00 0.00 64.21 64.79 2dkp n SER 69 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2dkp s PHE 70 N -3.00 3.56 -0.29 1.43 0.08 0.28 -4.45 117.98 115.60 2dkp s PHE 70 Ca -0.05 1.34 0.03 0.00 0.12 0.00 0.00 56.93 58.38 2dkp s PHE 70 Cb 0.09 -2.74 0.07 0.00 -0.57 0.00 0.00 43.02 39.88 2dkp s PHE 70 CO 0.83 -0.56 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.20 2dkp s GLN 71 N -4.75 1.98 -0.25 0.44 0.74 0.88 -4.77 119.66 113.92 2dkp s GLN 71 Ca 0.56 -1.53 -0.28 0.00 0.05 0.00 0.00 55.36 54.15 2dkp s GLN 71 Cb -0.11 -3.01 0.01 0.00 1.10 0.00 0.00 33.01 31.01 2dkp s GLN 71 CO 0.45 -0.70 1.01 0.42 -0.55 0.00 0.00 175.29 175.92 2dkp s ILE 72 N 1.03 4.67 -0.14 -2.34 -1.09 -1.26 -1.83 121.20 120.24 2dkp s ILE 72 Ca -0.02 1.89 -0.16 0.00 -2.23 0.00 0.00 60.65 60.13 2dkp s ILE 72 Cb -0.20 -4.30 0.04 0.00 -1.58 0.00 0.00 42.46 36.42 2dkp s ILE 72 CO -0.06 -0.23 0.43 0.00 -1.23 0.00 0.00 174.94 173.85 2dkp s ALA 73 N 3.23 -1.07 0.25 9.38 0.00 -1.08 -5.05 121.76 127.42 2dkp s ALA 73 Ca 0.43 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 53.22 2dkp s ALA 73 Cb -0.14 -0.61 -0.12 0.00 0.00 0.00 0.00 23.12 22.24 2dkp s ALA 73 CO 0.08 -0.22 1.59 1.28 0.00 0.00 0.00 175.76 178.50 2dkp n LEU 74 N 2.63 3.89 -4.25 0.00 7.99 -1.26 -3.16 117.00 122.84 2dkp n LEU 74 Ca -0.14 1.12 -0.36 0.00 -0.01 0.00 0.00 56.01 56.61 2dkp n LEU 74 Cb 0.57 -1.54 0.05 0.00 -0.11 0.00 0.00 43.42 42.39 2dkp n LEU 74 CO 0.13 -0.01 -0.61 0.18 -1.51 0.00 0.00 177.39 175.57 2dkp n LEU 75 N 2.78 -2.77 -4.24 2.23 4.77 -1.26 -4.92 117.00 113.59 2dkp n LEU 75 Ca 0.12 0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 56.39 2dkp n LEU 75 Cb 0.34 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.37 2dkp n LEU 75 CO 0.64 -4.60 -0.22 0.28 -1.33 0.00 0.00 177.39 172.15 2dkp s THR 76 N -2.03 0.10 0.18 -5.08 -1.32 -1.26 -5.03 115.64 101.20 2dkp s THR 76 Ca 0.53 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.81 2dkp s THR 76 Cb -0.31 -2.52 0.11 0.00 -1.51 0.00 0.00 72.50 68.27 2dkp s THR 76 CO 0.70 0.00 1.40 -1.54 -2.21 0.00 0.00 174.62 172.97 2dkp n SER 77 N -0.51 -0.73 -0.28 8.08 3.41 -1.26 0.24 113.62 122.57 2dkp n SER 77 Ca 0.02 1.59 0.05 0.00 -0.26 0.00 0.00 58.87 60.27 2dkp n SER 77 Cb 0.65 -0.30 0.12 0.00 -0.26 0.00 0.00 64.21 64.42 2dkp n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dkp n GLU 78 N -5.25 -0.07 -1.74 4.33 1.02 -1.26 -4.21 120.64 113.45 2dkp n GLU 78 Ca 0.06 1.22 -0.42 0.00 -0.02 0.00 0.00 57.16 58.00 2dkp n GLU 78 Cb 0.31 -1.82 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 2dkp n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dkp s ASP 79 N -5.19 6.45 -0.70 1.62 1.11 0.14 -4.89 116.67 115.21 2dkp s ASP 79 Ca -0.12 2.70 -0.02 0.00 0.18 0.00 0.00 52.55 55.29 2dkp s ASP 79 Cb 0.21 -2.56 0.30 0.00 1.07 0.00 0.00 42.92 41.94 2dkp s ASP 79 CO 0.61 -1.00 2.19 1.41 1.18 0.00 0.00 175.17 179.56 2dkp n HIS 80 N 6.03 2.65 -4.59 4.23 8.25 -1.26 -4.84 115.22 125.69 2dkp n HIS 80 Ca 0.18 -2.36 -0.33 0.00 -0.26 0.00 0.00 57.72 54.95 2dkp n HIS 80 Cb 0.39 -1.27 -0.14 0.00 1.12 0.00 0.00 29.99 30.10 2dkp n HIS 80 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2dkp s ILE 81 N -4.26 3.31 -0.47 1.59 1.01 -1.26 -5.01 121.20 116.11 2dkp s ILE 81 Ca 0.55 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2dkp s ILE 81 Cb 0.43 -2.42 0.27 0.00 0.01 0.00 0.00 42.46 40.75 2dkp s ILE 81 CO -0.27 0.51 2.12 -0.46 0.00 0.00 0.00 174.94 176.84 2dkp n ASN 82 N 3.65 6.91 -4.57 3.58 6.94 -1.26 -4.92 115.26 125.59 2dkp n ASN 82 Ca -0.18 -3.35 -0.28 0.00 -0.02 0.00 0.00 54.58 50.75 2dkp n ASN 82 Cb 0.52 -1.06 -0.10 0.00 -2.36 0.00 0.00 39.78 36.79 2dkp n ASN 82 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2dkp s ARG 83 N -2.54 2.07 0.31 -3.83 1.81 -1.26 -5.14 118.95 110.36 2dkp s ARG 83 Ca 0.46 -1.18 0.10 0.00 -1.72 0.00 0.00 55.73 53.39 2dkp s ARG 83 Cb 0.35 -2.21 -0.05 0.00 -0.45 0.00 0.00 34.95 32.59 2dkp s ARG 83 CO -0.06 0.46 -0.08 0.15 -0.68 0.00 0.00 175.30 175.10 2dkp s LYS 84 N -2.59 1.95 -1.50 3.54 -0.14 -1.26 -4.69 119.74 115.06 2dkp s LYS 84 Ca 0.23 -1.72 -0.06 0.00 -1.36 0.00 0.00 55.97 53.06 2dkp s LYS 84 Cb -0.10 -1.89 0.02 0.00 -1.68 0.00 0.00 37.83 34.19 2dkp s LYS 84 CO 0.14 0.24 0.68 0.66 -0.76 0.00 0.00 175.35 176.32 2dkp n TYR 85 N -0.81 -2.08 -4.24 3.18 4.02 -1.26 -4.73 117.16 111.24 2dkp n TYR 85 Ca -0.05 0.59 -0.15 0.00 -0.01 0.00 0.00 57.90 58.28 2dkp n TYR 85 Cb 0.61 -4.33 -0.10 0.00 -0.02 0.00 0.00 39.34 35.50 2dkp n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dkp s ALA 86 N -3.17 1.42 0.39 -0.72 0.00 -1.26 -3.22 121.76 115.20 2dkp s ALA 86 Ca 0.37 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2dkp s ALA 86 Cb -0.17 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2dkp s ALA 86 CO 0.46 -0.03 0.19 -0.59 0.00 0.00 0.00 175.76 175.78 2dkp s PHE 87 N -2.84 1.77 0.04 0.00 -0.71 0.44 -4.26 117.98 112.43 2dkp s PHE 87 Ca 0.13 -1.44 0.00 0.00 -1.04 0.00 0.00 56.93 54.58 2dkp s PHE 87 Cb -0.01 -1.00 -0.03 0.00 -1.21 0.00 0.00 43.02 40.77 2dkp s PHE 87 CO 0.01 -0.51 -0.04 -1.59 -1.34 0.00 0.00 175.22 171.75 2dkp s LYS 88 N -3.60 0.51 -0.10 1.99 -2.85 -1.19 -1.25 119.74 113.25 2dkp s LYS 88 Ca 0.28 -0.95 0.03 0.00 -1.00 0.00 0.00 55.97 54.34 2dkp s LYS 88 Cb 0.02 0.06 0.01 0.00 -2.06 0.00 0.00 37.83 35.86 2dkp s LYS 88 CO 0.19 -0.06 -0.19 0.00 0.10 0.00 0.00 175.35 175.39 2dkp s ALA 89 N -2.64 1.87 -0.17 0.59 0.00 0.72 -2.63 121.76 119.50 2dkp s ALA 89 Ca -0.03 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 2dkp s ALA 89 Cb -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 2dkp s ALA 89 CO -0.05 0.11 0.15 0.00 0.00 0.00 0.00 175.76 175.97 2dkp s ALA 90 N 0.65 3.74 -0.01 0.00 0.00 -0.76 0.26 121.76 125.63 2dkp s ALA 90 Ca -0.13 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2dkp s ALA 90 Cb -0.16 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2dkp s ALA 90 CO 0.03 0.29 -0.17 -1.58 0.00 0.00 0.00 175.76 174.33 2dkp s HIS 91 N -0.03 1.50 -0.07 0.00 2.46 -1.23 -0.09 115.29 117.82 2dkp s HIS 91 Ca 0.11 -0.28 -0.27 0.00 0.47 0.00 0.00 55.06 55.09 2dkp s HIS 91 Cb -0.11 -0.96 -0.23 0.00 -0.13 0.00 0.00 32.58 31.15 2dkp s HIS 91 CO 0.00 -0.02 1.04 -1.00 -2.47 0.00 0.00 174.74 172.29 2dkp h PRO 92 N 5.70 0.04 -0.31 2.88 0.13 -1.91 -3.25 132.00 135.28 2dkp h PRO 92 Ca -0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2dkp h PRO 92 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2dkp h PRO 92 CO 0.48 0.76 0.00 0.09 -0.23 0.00 0.00 178.00 179.10 2dkp n ASN 93 N -4.70 1.71 -2.69 1.44 3.02 -1.26 -4.90 115.26 107.88 2dkp n ASN 93 Ca -0.09 -1.97 -0.12 0.00 -0.03 0.00 0.00 54.58 52.36 2dkp n ASN 93 Cb 0.38 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 2dkp n ASN 93 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2dkp n MET 94 N 0.43 0.60 -1.97 3.52 2.81 -1.23 -5.18 117.12 116.10 2dkp n MET 94 Ca 0.11 -2.37 -0.21 0.00 -1.81 0.00 0.00 57.70 53.42 2dkp n MET 94 Cb 0.27 2.29 0.12 0.00 -0.71 0.00 0.00 33.22 35.20 2dkp n MET 94 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2dkp n ARG 95 N -0.49 -0.39 -3.12 0.03 1.85 -1.26 -4.24 116.66 109.04 2dkp n ARG 95 Ca 0.01 -2.03 -0.40 0.00 -1.00 0.00 0.00 57.85 54.42 2dkp n ARG 95 Cb 0.50 -0.76 -0.06 0.00 -1.05 0.00 0.00 32.46 31.08 2dkp n ARG 95 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2dkp s THR 96 N -2.83 5.00 0.52 8.89 2.01 -1.26 -3.57 115.64 124.39 2dkp s THR 96 Ca 0.57 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.69 2dkp s THR 96 Cb -0.03 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.56 2dkp s THR 96 CO 0.39 0.06 0.77 -0.31 -0.69 0.00 0.00 174.62 174.84 2dkp s TYR 97 N 2.29 3.21 -0.01 4.92 1.51 0.14 -4.86 117.35 124.54 2dkp s TYR 97 Ca 0.27 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 2dkp s TYR 97 Cb -0.16 -2.52 0.02 0.00 -0.11 0.00 0.00 41.96 39.19 2dkp s TYR 97 CO 0.09 -0.59 0.02 0.71 -1.11 0.00 0.00 175.55 174.67 2dkp s TYR 98 N -2.75 0.02 -0.01 2.71 1.51 -1.26 -0.20 117.35 117.37 2dkp s TYR 98 Ca 0.51 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.66 2dkp s TYR 98 Cb -0.10 -0.13 -0.00 0.00 -0.11 0.00 0.00 41.96 41.62 2dkp s TYR 98 CO 0.41 -0.05 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.69 2dkp s PHE 99 N 0.56 0.50 0.12 2.71 0.08 -0.38 -2.74 117.98 118.82 2dkp s PHE 99 Ca -0.05 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2dkp s PHE 99 Cb -0.07 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 2dkp s PHE 99 CO -0.02 -0.02 -0.03 0.00 -0.10 0.00 0.00 175.22 175.05 2dkp n THR 101 N -0.08 0.00 0.01 0.00 -2.24 -1.20 -4.05 114.28 106.72 2dkp n THR 101 Ca -0.10 -2.49 -0.13 0.00 -2.27 0.00 0.00 64.05 59.06 2dkp n THR 101 Cb 0.62 0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 69.56 2dkp n THR 101 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2dkp h ASP 102 N 1.65 0.16 -4.38 3.42 3.58 -1.94 -3.47 116.42 115.44 2dkp h ASP 102 Ca -0.34 -0.31 -0.47 0.00 0.42 0.00 0.00 57.03 56.32 2dkp h ASP 102 Cb 1.28 -0.05 -0.14 0.00 1.72 0.00 0.00 39.33 42.14 2dkp h ASP 102 CO 0.55 1.27 -0.53 0.42 -2.88 0.00 0.00 179.24 178.07 2dkp s THR 103 N -2.60 0.38 0.10 2.25 -4.23 -1.26 -5.07 115.64 105.21 2dkp s THR 103 Ca -0.09 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.26 2dkp s THR 103 Cb 0.08 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 2dkp s THR 103 CO 0.82 0.00 1.53 1.23 -0.54 0.00 0.00 174.62 177.66 2dkp h GLY 104 N 2.06 0.62 0.58 3.99 0.00 -1.93 -3.20 103.07 105.19 2dkp h GLY 104 Ca -0.33 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 2dkp h GLY 104 CO 0.51 0.43 -0.45 1.70 0.00 0.00 0.00 176.54 178.73 2dkp h LYS 105 N 0.37 -0.96 -0.44 4.80 3.11 -1.99 -0.75 116.57 120.71 2dkp h LYS 105 Ca 0.09 0.07 0.13 0.00 -2.81 0.00 0.00 60.65 58.12 2dkp h LYS 105 Cb 0.47 0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 2dkp h LYS 105 CO 0.02 -0.64 0.91 0.93 -2.81 0.00 0.00 179.45 177.86 2dkp h GLU 106 N -1.00 0.00 0.05 1.90 5.08 -1.99 1.70 114.58 120.33 2dkp h GLU 106 Ca -0.08 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 2dkp h GLU 106 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2dkp h GLU 106 CO 0.02 0.00 -1.78 1.98 -1.00 0.00 0.00 179.01 178.23 2dkp h MET 107 N 0.00 0.11 -0.31 2.33 4.05 -1.21 -3.30 114.93 116.60 2dkp h MET 107 Ca 0.21 -0.19 -0.12 0.00 -0.28 0.00 0.00 59.70 59.32 2dkp h MET 107 Cb 2.03 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.90 2dkp h MET 107 CO -0.00 0.80 -0.28 1.05 0.23 0.00 0.00 176.91 178.71 2dkp h GLU 108 N 0.03 0.74 -0.44 0.39 4.11 0.38 -0.42 114.58 119.38 2dkp h GLU 108 Ca -0.32 -0.38 -0.03 0.00 0.07 0.00 0.00 59.36 58.70 2dkp h GLU 108 Cb 2.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 2dkp h GLU 108 CO 0.09 1.00 0.16 -0.07 0.07 0.00 0.00 179.01 180.26 2dkp h LEU 109 N 0.50 0.56 0.04 3.06 3.38 -1.33 -0.20 115.31 121.33 2dkp h LEU 109 Ca 0.05 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2dkp h LEU 109 Cb 0.85 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dkp h LEU 109 CO 0.07 0.52 -0.53 -0.50 0.09 0.00 0.00 178.44 178.09 2dkp h TRP 110 N 0.62 0.45 0.37 1.13 -0.00 -1.61 -3.27 115.95 113.64 2dkp h TRP 110 Ca 0.15 -0.28 -0.02 0.00 -0.00 0.00 0.00 58.89 58.74 2dkp h TRP 110 Cb 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.27 2dkp h TRP 110 CO 0.01 1.14 -0.18 0.52 -0.00 0.00 0.00 178.44 179.93 2dkp h MET 111 N -0.36 -0.47 -0.76 0.49 2.86 -0.89 0.34 114.93 116.14 2dkp h MET 111 Ca -0.08 0.03 0.26 0.00 -2.06 0.00 0.00 59.70 57.85 2dkp h MET 111 Cb 1.32 0.11 -0.14 0.00 0.06 0.00 0.00 31.60 32.95 2dkp h MET 111 CO 0.10 -0.32 0.19 1.63 1.06 0.00 0.00 176.91 179.57 2dkp n LYS 112 N -3.41 -0.05 0.01 1.72 4.76 -0.10 -0.43 118.16 120.66 2dkp n LYS 112 Ca -0.06 1.09 -0.01 0.00 -2.87 0.00 0.00 58.31 56.46 2dkp n LYS 112 Cb 0.19 -1.83 -0.00 0.00 -1.84 0.00 0.00 35.03 31.55 2dkp n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dkp h ALA 113 N 1.51 -0.15 -0.83 7.82 0.00 -1.57 -3.17 119.26 122.87 2dkp h ALA 113 Ca 0.54 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.55 2dkp h ALA 113 Cb 1.28 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 2dkp h ALA 113 CO -0.65 -0.15 -0.38 -1.33 0.00 0.00 0.00 179.25 176.74 2dkp n MET 114 N -3.01 -0.25 -0.04 0.00 2.81 0.12 0.00 117.12 116.76 2dkp n MET 114 Ca -0.01 1.27 -0.11 0.00 -1.81 0.00 0.00 57.70 57.04 2dkp n MET 114 Cb 0.03 -1.87 -0.05 0.00 -0.71 0.00 0.00 33.22 30.61 2dkp n MET 114 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dkp h LEU 115 N 0.00 -1.28 -1.63 4.03 -0.00 -0.90 0.52 115.31 116.05 2dkp h LEU 115 Ca 0.24 0.18 0.18 0.00 -0.00 0.00 0.00 57.88 58.48 2dkp h LEU 115 Cb 0.44 0.54 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 2dkp h LEU 115 CO -0.81 -0.40 0.73 -0.78 -0.00 0.00 0.00 178.44 177.18 2dkp h ASP 116 N -0.42 0.00 0.29 -0.43 1.82 -0.39 1.17 116.42 118.46 2dkp h ASP 116 Ca 0.10 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 2dkp h ASP 116 Cb 0.60 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 2dkp h ASP 116 CO -0.45 0.00 -1.75 0.00 -1.61 0.00 0.00 179.24 175.43 2dkp n ALA 117 N -2.27 2.57 -0.08 -0.78 0.00 0.11 -4.33 120.51 115.73 2dkp n ALA 117 Ca 0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2dkp n ALA 117 Cb 0.94 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 2dkp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkp h ALA 118 N 1.88 0.08 -0.22 0.00 0.00 0.57 -0.19 119.26 121.38 2dkp h ALA 118 Ca -0.06 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.31 2dkp h ALA 118 Cb 1.14 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2dkp h ALA 118 CO 0.01 0.34 0.74 1.37 0.00 0.00 0.00 179.25 181.70 2dkp h LEU 119 N -1.00 0.00 -9.33 0.00 -0.00 -0.48 -3.39 115.31 101.12 2dkp h LEU 119 Ca -0.10 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.12 2dkp h LEU 119 Cb 0.76 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.47 2dkp h LEU 119 CO -0.06 0.00 0.50 0.52 -0.00 0.00 0.00 178.44 179.40 2dkp n VAL 120 N -2.91 0.13 -3.11 0.15 0.31 -1.25 -4.90 118.33 106.75 2dkp n VAL 120 Ca 0.04 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.96 2dkp n VAL 120 Cb 0.83 -0.97 -0.02 0.00 -0.91 0.00 0.00 33.84 32.77 2dkp n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dkp n GLN 121 N 2.58 3.92 -0.09 5.55 6.02 -1.26 -4.68 117.38 129.42 2dkp n GLN 121 Ca 0.18 -4.61 0.06 0.00 -0.01 0.00 0.00 57.00 52.62 2dkp n GLN 121 Cb 0.22 -2.42 0.10 0.00 1.02 0.00 0.00 30.24 29.16 2dkp n GLN 121 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2dkp n THR 122 N 1.05 1.56 -4.24 5.09 5.66 -1.26 -5.03 114.28 117.10 2dkp n THR 122 Ca 0.28 -1.70 -0.27 0.00 -3.05 0.00 0.00 64.05 59.31 2dkp n THR 122 Cb 0.35 0.07 -0.09 0.00 -1.55 0.00 0.00 70.33 69.11 2dkp n THR 122 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dkp s SER 123 N -2.00 4.50 -0.38 1.09 0.15 -1.26 -5.11 113.70 110.68 2dkp s SER 123 Ca 0.21 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.43 2dkp s SER 123 Cb 0.18 -0.87 0.11 0.00 -1.71 0.00 0.00 66.02 63.73 2dkp s SER 123 CO 0.03 0.11 0.13 -0.83 1.20 0.00 0.00 173.24 173.88 2dkp s GLY 124 N -2.75 1.82 -0.26 9.45 0.00 -1.26 -5.09 107.32 109.23 2dkp s GLY 124 Ca 0.25 -2.51 -0.42 0.00 0.00 0.00 0.00 44.72 42.05 2dkp s GLY 124 CO 0.16 1.18 1.53 -1.05 0.00 0.00 0.00 173.10 174.93 2dkp n PRO 125 N 4.06 0.56 -3.53 2.90 -0.02 -1.26 -4.92 135.00 132.78 2dkp n PRO 125 Ca 0.03 0.21 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 2dkp n PRO 125 Cb 0.39 -1.79 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 2dkp n PRO 125 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dkp s SER 126 N 2.36 6.33 -0.05 2.55 0.01 -1.26 -5.07 113.70 118.57 2dkp s SER 126 Ca 0.98 0.37 -0.03 0.00 1.31 0.00 0.00 55.95 58.58 2dkp s SER 126 Cb -1.24 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 62.85 2dkp s SER 126 CO 0.67 0.03 0.12 -0.44 0.41 0.00 0.00 173.24 174.03 2dkp s SER 127 N 0.84 -0.10 0.00 2.44 0.01 -1.26 -5.13 113.70 110.51 2dkp s SER 127 Ca 0.14 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2dkp s SER 127 Cb -0.14 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2dkp s SER 127 CO 0.05 -0.09 0.29 0.61 0.41 0.00 0.00 173.24 174.52