#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkp n SER 2 N 0.00 6.96 -4.10 1.61 7.64 -1.26 -4.96 113.62 119.51 2dkp n SER 2 Ca 0.00 -3.79 -0.14 0.00 1.01 0.00 0.00 58.87 55.95 2dkp n SER 2 Cb 0.00 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.25 2dkp n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkp s SER 3 N -2.18 1.10 0.00 6.43 0.15 -1.26 -5.15 113.70 112.80 2dkp s SER 3 Ca 0.59 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dkp s SER 3 Cb 0.47 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2dkp s SER 3 CO -0.07 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2dkp n GLY 4 N 1.22 2.68 3.64 9.45 0.00 -1.26 -5.18 105.19 115.74 2dkp n GLY 4 Ca -0.21 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -0.38 -0.26 1.61 0.15 -1.26 -5.18 113.70 108.38 2dkp s SER 5 Ca 0.00 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.06 2dkp s SER 5 Cb 0.00 0.89 0.16 0.00 -1.71 0.00 0.00 66.02 65.36 2dkp s SER 5 CO 0.00 -0.11 1.21 -0.94 1.20 0.00 0.00 173.24 174.60 2dkp s SER 6 N 0.65 -0.24 0.00 5.45 1.04 -1.26 -5.08 113.70 114.27 2dkp s SER 6 Ca -0.01 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2dkp s SER 6 Cb -0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2dkp s SER 6 CO -0.11 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2dkp n GLY 7 N 1.43 1.38 0.25 7.32 0.00 -1.26 -4.95 105.19 109.36 2dkp n GLY 7 Ca -0.09 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 45.86 2dkp n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkp n LYS 8 N 0.00 -0.05 -1.03 1.61 0.00 -1.26 -4.54 118.16 112.89 2dkp n LYS 8 Ca 0.00 1.07 -0.34 0.00 0.00 0.00 0.00 58.31 59.04 2dkp n LYS 8 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 35.03 33.24 2dkp n LYS 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dkp n ARG 9 N -4.89 0.00 -4.19 1.64 5.12 -1.26 -4.95 116.66 108.13 2dkp n ARG 9 Ca 0.21 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.84 2dkp n ARG 9 Cb 0.71 -0.77 -0.09 0.00 -1.16 0.00 0.00 32.46 31.15 2dkp n ARG 9 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dkp s SER 10 N -0.77 4.65 -0.67 0.55 0.15 -1.26 -5.03 113.70 111.31 2dkp s SER 10 Ca 0.47 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 2dkp s SER 10 Cb -0.56 -0.98 0.42 0.00 -1.71 0.00 0.00 66.02 63.19 2dkp s SER 10 CO 0.47 0.17 1.92 -0.46 1.20 0.00 0.00 173.24 176.54 2dkp n ASN 11 N 0.56 7.30 -3.58 5.45 6.94 -1.26 -4.95 115.26 125.72 2dkp n ASN 11 Ca -0.12 -3.80 -0.09 0.00 -0.02 0.00 0.00 54.58 50.56 2dkp n ASN 11 Cb 0.52 -0.92 -0.02 0.00 -2.36 0.00 0.00 39.78 37.00 2dkp n ASN 11 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2dkp s SER 12 N -1.86 -0.38 -0.08 0.53 1.04 -1.26 -5.17 113.70 106.52 2dkp s SER 12 Ca 0.60 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.89 2dkp s SER 12 Cb 0.48 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 67.13 2dkp s SER 12 CO -0.12 -0.92 -0.22 -0.63 0.98 0.00 0.00 173.24 172.33 2dkp s ILE 13 N -3.51 1.88 -0.09 -1.02 1.01 -1.26 -5.13 121.20 113.08 2dkp s ILE 13 Ca 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2dkp s ILE 13 Cb -0.02 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 2dkp s ILE 13 CO -0.06 0.52 -0.13 -0.75 0.00 0.00 0.00 174.94 174.53 2dkp s LYS 14 N 0.17 2.94 -0.23 2.79 2.36 -1.26 -5.02 119.74 121.49 2dkp s LYS 14 Ca -0.12 -0.68 -0.19 0.00 -2.55 0.00 0.00 55.97 52.44 2dkp s LYS 14 Cb -0.16 -2.52 -0.03 0.00 -1.05 0.00 0.00 37.83 34.08 2dkp s LYS 14 CO 0.06 0.43 0.54 0.50 1.55 0.00 0.00 175.35 178.43 2dkp s ARG 15 N -0.22 4.13 -0.39 4.03 3.52 -1.26 -5.03 118.95 123.73 2dkp s ARG 15 Ca 0.01 0.41 -0.26 0.00 -0.13 0.00 0.00 55.73 55.76 2dkp s ARG 15 Cb -0.13 -3.61 0.02 0.00 -1.56 0.00 0.00 34.95 29.67 2dkp s ARG 15 CO 0.03 -0.27 0.94 1.21 -0.81 0.00 0.00 175.30 176.40 2dkp s ASN 16 N 1.36 6.66 0.10 -2.12 2.47 -1.26 -4.96 114.94 117.19 2dkp s ASN 16 Ca 0.23 0.53 -0.32 0.00 0.42 0.00 0.00 52.86 53.72 2dkp s ASN 16 Cb -0.16 -2.47 -0.13 0.00 -1.45 0.00 0.00 41.25 37.04 2dkp s ASN 16 CO 0.09 -0.91 1.52 -0.65 -3.72 0.00 0.00 177.10 173.43 2dkp h PRO 17 N 8.59 -0.62 -0.96 0.43 0.11 -2.03 -2.29 132.00 135.22 2dkp h PRO 17 Ca -0.23 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.11 2dkp h PRO 17 Cb 1.08 0.14 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 2dkp h PRO 17 CO 1.00 -0.41 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.22 2dkp h ASN 18 N -0.65 -0.92 0.00 -2.05 2.35 -2.06 -3.40 115.58 108.86 2dkp h ASN 18 Ca 0.01 0.29 -0.46 0.00 -0.55 0.00 0.00 56.30 55.59 2dkp h ASN 18 Cb 0.69 0.60 -0.07 0.00 0.05 0.00 0.00 38.32 39.59 2dkp h ASN 18 CO -0.33 -0.31 1.41 0.00 -1.65 0.00 0.00 177.43 176.54 2dkp n ALA 19 N -3.56 0.23 -1.60 -0.83 0.00 -0.87 -4.70 120.51 109.19 2dkp n ALA 19 Ca 0.15 -0.16 -0.57 0.00 0.00 0.00 0.00 53.44 52.85 2dkp n ALA 19 Cb 0.48 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 17.98 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 6.97 0.67 -2.89 0.00 -0.02 -1.26 -4.72 135.00 133.74 2dkp n PRO 20 Ca 0.54 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 2dkp n PRO 20 Cb 0.01 -1.83 -0.04 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 1.11 4.80 -0.01 -1.45 1.01 -1.26 -4.43 120.40 120.17 2dkp s VAL 21 Ca 0.91 1.76 -0.23 0.00 0.00 0.00 0.00 61.98 64.41 2dkp s VAL 21 Cb -1.13 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 30.88 2dkp s VAL 21 CO 0.57 0.29 1.23 0.58 0.00 0.00 0.00 175.10 177.77 2dkp h VAL 22 N 4.40 1.42 -1.35 2.92 2.07 -0.75 -3.48 116.25 121.48 2dkp h VAL 22 Ca -0.42 -1.42 0.13 0.00 0.82 0.00 0.00 66.70 65.81 2dkp h VAL 22 Cb 1.21 2.21 -0.28 0.00 -1.52 0.00 0.00 31.29 32.91 2dkp h VAL 22 CO 0.73 0.39 0.67 -0.60 0.02 0.00 0.00 177.57 178.78 2dkp s ARG 23 N -3.97 0.32 -0.10 1.57 6.06 -1.19 -5.02 118.95 116.61 2dkp s ARG 23 Ca -0.15 0.29 -0.01 0.00 -2.50 0.00 0.00 55.73 53.36 2dkp s ARG 23 Cb 0.03 0.15 0.03 0.00 0.06 0.00 0.00 34.95 35.22 2dkp s ARG 23 CO 0.72 -0.06 -0.03 -0.98 -2.50 0.00 0.00 175.30 172.46 2dkp s ARG 24 N -0.16 0.97 -0.16 5.12 1.70 -1.26 -0.88 118.95 124.29 2dkp s ARG 24 Ca 0.05 -0.08 -0.23 0.00 -0.47 0.00 0.00 55.73 54.99 2dkp s ARG 24 Cb -0.04 -1.31 0.06 0.00 -0.57 0.00 0.00 34.95 33.09 2dkp s ARG 24 CO -0.09 -0.32 0.59 0.20 -1.08 0.00 0.00 175.30 174.61 2dkp s GLY 25 N 1.86 -0.46 -0.64 3.88 0.00 -0.83 -5.00 107.32 106.13 2dkp s GLY 25 Ca 0.04 1.45 -0.27 0.00 0.00 0.00 0.00 44.72 45.95 2dkp s GLY 25 CO -0.07 1.18 2.48 0.79 0.00 0.00 0.00 173.10 177.49 2dkp n TRP 26 N 2.08 1.18 -3.53 1.90 7.02 -1.26 -3.59 117.44 121.24 2dkp n TRP 26 Ca -0.16 0.17 -0.23 0.00 -1.02 0.00 0.00 57.50 56.26 2dkp n TRP 26 Cb 0.56 -2.54 -0.01 0.00 -2.42 0.00 0.00 31.31 26.90 2dkp n TRP 26 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2dkp s LEU 27 N 11.44 4.08 -0.05 -0.99 2.96 -0.86 -4.82 118.68 130.44 2dkp s LEU 27 Ca 1.07 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.32 2dkp s LEU 27 Cb -0.44 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2dkp s LEU 27 CO 0.31 -0.25 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.69 2dkp s TYR 28 N -2.23 2.86 0.05 5.38 2.02 -1.25 -2.61 117.35 121.57 2dkp s TYR 28 Ca 0.39 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 57.09 2dkp s TYR 28 Cb -0.09 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2dkp s TYR 28 CO 0.34 0.30 -0.11 0.21 -1.57 0.00 0.00 175.55 174.72 2dkp s LYS 29 N -0.89 0.68 0.20 -0.62 2.20 -1.18 -3.02 119.74 117.11 2dkp s LYS 29 Ca 0.13 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 54.97 2dkp s LYS 29 Cb -0.11 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 2dkp s LYS 29 CO 0.02 0.12 0.33 -1.14 -0.36 0.00 0.00 175.35 174.32 2dkp s GLN 30 N -1.53 3.44 -0.25 4.03 0.74 -1.16 -2.36 119.66 122.58 2dkp s GLN 30 Ca -0.05 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.70 2dkp s GLN 30 Cb -0.09 -2.92 0.05 0.00 1.10 0.00 0.00 33.01 31.14 2dkp s GLN 30 CO 0.01 0.47 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.61 2dkp s ASP 31 N -3.61 4.24 0.26 6.67 1.11 -1.22 -4.51 116.67 119.61 2dkp s ASP 31 Ca 0.34 -1.15 -0.01 0.00 0.18 0.00 0.00 52.55 51.91 2dkp s ASP 31 Cb -0.10 -1.58 0.57 0.00 1.07 0.00 0.00 42.92 42.88 2dkp s ASP 31 CO 0.29 -0.15 1.71 -1.28 1.18 0.00 0.00 175.17 176.92 2dkp h SER 32 N 7.87 0.28 -4.28 0.27 0.87 -1.88 -3.39 113.55 113.29 2dkp h SER 32 Ca -0.27 0.13 -0.52 0.00 -1.23 0.00 0.00 61.79 59.91 2dkp h SER 32 Cb 1.07 0.11 0.16 0.00 -0.44 0.00 0.00 62.40 63.30 2dkp h SER 32 CO 0.52 0.06 0.29 0.42 -0.53 0.00 0.00 176.83 177.59 2dkp s THR 33 N -5.97 2.74 0.00 2.23 -4.23 -1.26 -4.81 115.64 104.34 2dkp s THR 33 Ca -0.12 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2dkp s THR 33 Cb 0.23 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2dkp s THR 33 CO 0.77 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 2dkp n GLY 34 N -0.49 0.92 3.77 3.99 0.00 -1.26 -4.52 105.19 107.59 2dkp n GLY 34 Ca 0.11 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2dkp n GLY 34 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dkp s MET 35 N 0.00 3.62 -1.25 1.61 -2.45 -1.26 -4.93 119.30 114.64 2dkp s MET 35 Ca 0.00 1.87 -0.15 0.00 -1.25 0.00 0.00 55.69 56.16 2dkp s MET 35 Cb 0.00 -2.37 0.13 0.00 1.25 0.00 0.00 34.83 33.84 2dkp s MET 35 CO 0.00 -0.69 1.58 1.63 1.05 0.00 0.00 175.02 178.59 2dkp n LYS 36 N -0.61 3.31 -3.93 4.11 4.01 -1.26 -4.64 118.16 119.15 2dkp n LYS 36 Ca 0.08 -3.61 -0.22 0.00 -0.51 0.00 0.00 58.31 54.05 2dkp n LYS 36 Cb 0.47 -3.21 -0.05 0.00 -0.51 0.00 0.00 35.03 31.74 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 2.48 3.42 -0.13 -0.35 1.43 -1.26 -4.90 118.68 119.37 2dkp s LEU 37 Ca 0.47 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2dkp s LEU 37 Cb 0.00 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2dkp s LEU 37 CO 0.03 -0.35 -0.12 0.26 0.23 0.00 0.00 176.35 176.40 2dkp s TRP 38 N -2.38 2.84 0.04 0.29 0.52 -1.26 -3.40 118.94 115.59 2dkp s TRP 38 Ca 0.40 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2dkp s TRP 38 Cb -0.04 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2dkp s TRP 38 CO 0.25 -0.16 -0.03 0.15 0.02 0.00 0.00 176.95 177.18 2dkp s LYS 39 N 0.27 2.58 -0.25 4.98 3.01 -1.00 -4.88 119.74 124.45 2dkp s LYS 39 Ca -0.09 -0.76 -0.16 0.00 -1.01 0.00 0.00 55.97 53.96 2dkp s LYS 39 Cb -0.15 -2.54 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 2dkp s LYS 39 CO 0.05 0.58 0.44 0.21 0.51 0.00 0.00 175.35 177.14 2dkp s LYS 40 N -1.81 4.07 0.04 1.68 2.20 -1.26 -3.08 119.74 121.58 2dkp s LYS 40 Ca 0.21 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 56.01 2dkp s LYS 40 Cb -0.11 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2dkp s LYS 40 CO 0.12 -0.26 -0.03 1.03 -0.36 0.00 0.00 175.35 175.85 2dkp s ARG 41 N 2.02 0.52 -0.61 4.03 1.81 -1.07 -5.01 118.95 120.64 2dkp s ARG 41 Ca 0.18 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 52.88 2dkp s ARG 41 Cb -0.16 0.18 0.03 0.00 -0.45 0.00 0.00 34.95 34.56 2dkp s ARG 41 CO 0.09 -0.09 1.20 -0.46 -0.68 0.00 0.00 175.30 175.36 2dkp s TRP 42 N -3.18 2.55 -0.06 -0.53 -0.00 -1.26 -2.02 118.94 114.43 2dkp s TRP 42 Ca 0.00 0.29 -0.02 0.00 -0.00 0.00 0.00 56.10 56.37 2dkp s TRP 42 Cb 0.03 -4.52 -0.04 0.00 -0.00 0.00 0.00 33.47 28.94 2dkp s TRP 42 CO -0.07 -1.67 0.06 -0.06 -0.00 0.00 0.00 176.95 175.20 2dkp s PHE 43 N 5.05 3.29 -0.07 5.86 0.08 -1.24 -2.77 117.98 128.18 2dkp s PHE 43 Ca 0.41 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.72 2dkp s PHE 43 Cb -0.08 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2dkp s PHE 43 CO 0.23 0.55 -0.05 0.08 -0.10 0.00 0.00 175.22 175.93 2dkp s VAL 44 N -1.02 0.69 -0.53 -0.44 1.01 0.12 -1.96 120.40 118.27 2dkp s VAL 44 Ca 0.17 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2dkp s VAL 44 Cb -0.12 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.61 2dkp s VAL 44 CO 0.07 0.29 0.59 -0.22 0.00 0.00 0.00 175.10 175.83 2dkp s LEU 45 N 1.40 5.39 0.02 3.92 1.98 -0.06 -1.98 118.68 129.35 2dkp s LEU 45 Ca -0.03 -1.28 -0.13 0.00 -2.89 0.00 0.00 54.13 49.81 2dkp s LEU 45 Cb -0.13 -2.32 0.02 0.00 0.66 0.00 0.00 46.19 44.41 2dkp s LEU 45 CO -0.03 -0.91 0.27 -0.55 -1.89 0.00 0.00 176.35 173.23 2dkp s SER 46 N 3.10 -0.10 -1.39 3.68 0.15 -1.04 0.03 113.70 118.13 2dkp s SER 46 Ca 0.10 -0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.56 2dkp s SER 46 Cb -0.23 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2dkp s SER 46 CO 0.08 -0.52 0.82 -0.67 1.20 0.00 0.00 173.24 174.15 2dkp n ASP 47 N 0.93 -2.68 -4.40 5.45 -0.08 -1.26 -1.48 116.55 113.03 2dkp n ASP 47 Ca -0.20 -0.80 -0.38 0.00 -1.51 0.00 0.00 54.79 51.90 2dkp n ASP 47 Cb 0.58 -4.02 -0.07 0.00 2.34 0.00 0.00 41.12 39.95 2dkp n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dkp n LEU 48 N -4.45 -1.13 -3.82 -2.67 4.77 -1.26 -4.89 117.00 103.54 2dkp n LEU 48 Ca -0.16 -1.19 -0.10 0.00 -0.03 0.00 0.00 56.01 54.53 2dkp n LEU 48 Cb 0.62 -1.74 -0.05 0.00 -2.33 0.00 0.00 43.42 39.91 2dkp n LEU 48 CO 0.71 0.23 0.14 0.00 -1.33 0.00 0.00 177.39 177.14 2dkp s LEU 50 N -2.90 3.75 -0.02 0.00 1.43 -0.61 -2.49 118.68 117.83 2dkp s LEU 50 Ca 0.12 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2dkp s LEU 50 Cb 0.01 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2dkp s LEU 50 CO -0.03 0.22 -0.02 -0.36 0.23 0.00 0.00 176.35 176.39 2dkp s PHE 51 N 0.11 0.37 0.14 0.29 0.08 -0.84 -1.38 117.98 116.75 2dkp s PHE 51 Ca 0.04 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.07 2dkp s PHE 51 Cb -0.12 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2dkp s PHE 51 CO 0.01 -0.09 -0.04 1.52 -0.10 0.00 0.00 175.22 176.52 2dkp s TYR 52 N 0.60 1.12 0.17 0.36 -0.85 -1.26 0.16 117.35 117.65 2dkp s TYR 52 Ca -0.06 -0.93 0.04 0.00 -0.52 0.00 0.00 57.07 55.59 2dkp s TYR 52 Cb -0.09 -0.63 -0.01 0.00 0.38 0.00 0.00 41.96 41.61 2dkp s TYR 52 CO -0.01 -0.13 0.14 0.66 -1.52 0.00 0.00 175.55 174.69 2dkp n TYR 53 N -0.17 -0.37 -0.12 -3.49 4.02 -1.11 -2.94 117.16 112.98 2dkp n TYR 53 Ca -0.09 -1.44 -0.10 0.00 -0.01 0.00 0.00 57.90 56.26 2dkp n TYR 53 Cb 0.62 0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 40.06 2dkp n TYR 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dkp h ARG 54 N 0.00 0.56 0.00 -0.72 2.47 -1.92 -3.38 114.38 111.39 2dkp h ARG 54 Ca -0.12 -0.13 -0.15 0.00 -1.26 0.00 0.00 59.98 58.31 2dkp h ARG 54 Cb 0.62 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 2dkp h ARG 54 CO 0.18 0.61 -0.08 -0.40 0.56 0.00 0.00 179.97 180.84 2dkp n ASP 55 N -4.62 -0.72 -0.07 7.04 5.75 -1.26 -4.76 116.55 117.92 2dkp n ASP 55 Ca -0.01 -2.00 0.19 0.00 -0.01 0.00 0.00 54.79 52.96 2dkp n ASP 55 Cb 0.19 1.34 0.63 0.00 -1.03 0.00 0.00 41.12 42.26 2dkp n ASP 55 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2dkp h GLU 56 N 0.00 0.13 0.00 0.11 -0.00 -1.94 0.12 114.58 113.00 2dkp h GLU 56 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 2dkp h GLU 56 Cb 0.63 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 2dkp h GLU 56 CO 0.19 0.09 0.28 0.87 -0.00 0.00 0.00 179.01 180.44 2dkp h LYS 57 N 0.13 0.00 -5.92 1.06 1.57 -1.99 -3.44 116.57 107.98 2dkp h LYS 57 Ca 0.30 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.75 2dkp h LYS 57 Cb 1.02 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.19 2dkp h LYS 57 CO -0.04 0.00 -0.51 -0.85 -0.57 0.00 0.00 179.45 177.48 2dkp n GLU 58 N -2.86 -0.94 -1.03 3.15 -0.00 0.42 -4.72 120.64 114.66 2dkp n GLU 58 Ca -0.02 0.05 -0.23 0.00 -0.00 0.00 0.00 57.16 56.97 2dkp n GLU 58 Cb 0.32 -2.05 0.08 0.00 -0.00 0.00 0.00 31.44 29.80 2dkp n GLU 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2dkp n GLU 59 N -2.80 2.11 0.00 3.44 1.02 -1.26 -4.78 120.64 118.37 2dkp n GLU 59 Ca -0.12 -2.30 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 2dkp n GLU 59 Cb 0.34 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2dkp n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dkp n GLY 60 N -0.40 2.11 3.72 0.62 0.00 -1.26 -5.09 105.19 104.89 2dkp n GLY 60 Ca 0.45 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 3.48 -0.02 -0.61 1.01 -1.26 -4.26 121.20 119.54 2dkp s ILE 61 Ca 0.00 1.11 0.11 0.00 0.00 0.00 0.00 60.65 61.87 2dkp s ILE 61 Cb 0.00 -3.71 -0.23 0.00 0.01 0.00 0.00 42.46 38.53 2dkp s ILE 61 CO 0.00 0.11 0.74 -0.07 0.00 0.00 0.00 174.94 175.72 2dkp h LEU 62 N 6.31 0.03 -7.00 2.97 3.38 -1.89 -3.48 115.31 115.63 2dkp h LEU 62 Ca -0.43 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 57.64 2dkp h LEU 62 Cb 1.21 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.65 2dkp h LEU 62 CO 0.82 1.05 0.59 -0.83 0.09 0.00 0.00 178.44 180.17 2dkp s GLY 63 N -5.07 0.32 0.19 0.83 0.00 -1.26 -5.13 107.32 97.21 2dkp s GLY 63 Ca -0.05 3.49 -0.00 0.00 0.00 0.00 0.00 44.72 48.16 2dkp s GLY 63 CO 0.82 2.61 0.37 -1.35 0.00 0.00 0.00 173.10 175.55 2dkp s SER 64 N 1.07 6.38 -0.06 1.64 1.04 -1.26 -4.07 113.70 118.43 2dkp s SER 64 Ca -0.07 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.74 2dkp s SER 64 Cb -0.03 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 64.11 2dkp s SER 64 CO -0.12 -0.03 -0.11 -0.63 0.98 0.00 0.00 173.24 173.33 2dkp s ILE 65 N -1.85 1.04 -0.38 -1.02 1.01 -0.48 -5.03 121.20 114.49 2dkp s ILE 65 Ca 0.38 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 2dkp s ILE 65 Cb -0.11 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.42 2dkp s ILE 65 CO 0.29 0.33 0.78 -0.76 0.00 0.00 0.00 174.94 175.58 2dkp s LEU 66 N 0.64 4.15 0.06 2.97 2.01 -1.26 -1.57 118.68 125.68 2dkp s LEU 66 Ca -0.13 0.28 -0.16 0.00 0.01 0.00 0.00 54.13 54.13 2dkp s LEU 66 Cb -0.15 -3.01 -0.20 0.00 0.01 0.00 0.00 46.19 42.84 2dkp s LEU 66 CO 0.03 -0.76 1.22 -0.07 1.01 0.00 0.00 176.35 177.78 2dkp h LEU 67 N 9.79 0.79 -1.52 1.79 3.38 -1.90 -3.20 115.31 124.43 2dkp h LEU 67 Ca -0.25 -0.69 0.14 0.00 0.09 0.00 0.00 57.88 57.18 2dkp h LEU 67 Cb 1.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2dkp h LEU 67 CO 0.92 1.36 0.71 -0.65 0.09 0.00 0.00 178.44 180.86 2dkp h PRO 68 N 0.28 0.00 0.00 1.13 0.11 -1.72 0.93 132.00 132.73 2dkp h PRO 68 Ca -0.07 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 2dkp h PRO 68 Cb 1.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.51 2dkp h PRO 68 CO 0.15 0.00 -1.62 0.43 -0.21 0.00 0.00 178.00 176.75 2dkp n SER 69 N -3.32 0.45 -4.87 -2.05 7.64 -1.21 -4.67 113.62 105.58 2dkp n SER 69 Ca 0.10 0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.86 2dkp n SER 69 Cb 0.89 1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 65.08 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 -3.22 3.52 -0.29 1.43 0.08 0.32 -4.69 117.98 115.13 2dkp s PHE 70 Ca -0.05 1.20 0.02 0.00 0.12 0.00 0.00 56.93 58.22 2dkp s PHE 70 Cb 0.11 -2.60 0.06 0.00 -0.57 0.00 0.00 43.02 40.02 2dkp s PHE 70 CO 0.84 -0.36 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.42 2dkp s GLN 71 N -4.38 2.18 -0.48 0.44 0.74 -0.45 -4.79 119.66 112.92 2dkp s GLN 71 Ca 0.54 -1.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.24 2dkp s GLN 71 Cb -0.10 -3.03 0.03 0.00 1.10 0.00 0.00 33.01 31.00 2dkp s GLN 71 CO 0.39 -0.65 1.13 0.42 -0.55 0.00 0.00 175.29 176.03 2dkp s ILE 72 N 1.11 4.21 -0.02 -2.34 -1.09 -1.26 -1.83 121.20 119.98 2dkp s ILE 72 Ca -0.05 1.21 0.02 0.00 -2.23 0.00 0.00 60.65 59.61 2dkp s ILE 72 Cb -0.20 -4.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 2dkp s ILE 72 CO -0.04 -1.01 -0.08 0.00 -1.23 0.00 0.00 174.94 172.57 2dkp s ALA 73 N 4.45 0.79 0.33 9.38 0.00 -1.03 -5.03 121.76 130.65 2dkp s ALA 73 Ca 0.48 -0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 2dkp s ALA 73 Cb -0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 23.12 22.63 2dkp s ALA 73 CO 0.32 0.13 1.10 1.28 0.00 0.00 0.00 175.76 178.59 2dkp n LEU 74 N 3.27 2.55 0.00 0.00 7.99 -1.26 -3.24 117.00 126.31 2dkp n LEU 74 Ca -0.18 1.16 -0.10 0.00 -0.01 0.00 0.00 56.01 56.89 2dkp n LEU 74 Cb 0.55 -1.37 0.09 0.00 -0.11 0.00 0.00 43.42 42.58 2dkp n LEU 74 CO 0.25 -1.11 0.11 0.18 -1.51 0.00 0.00 177.39 175.30 2dkp n LEU 75 N 0.92 0.00 -0.52 2.23 4.77 -1.26 -4.27 117.00 118.88 2dkp n LEU 75 Ca 0.08 -0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 55.73 2dkp n LEU 75 Cb 0.35 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2dkp n LEU 75 CO 0.60 -1.92 -0.06 0.35 -1.33 0.00 0.00 177.39 175.03 2dkp n THR 76 N -3.71 -0.13 -3.29 -5.08 -2.24 -1.26 -4.98 114.28 93.59 2dkp n THR 76 Ca 0.04 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.57 2dkp n THR 76 Cb 0.19 -1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 67.32 2dkp n THR 76 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dkp n SER 77 N 1.05 1.00 -2.54 3.42 2.88 -1.26 -4.88 113.62 113.29 2dkp n SER 77 Ca -0.06 -2.84 -0.15 0.00 -1.33 0.00 0.00 58.87 54.48 2dkp n SER 77 Cb 0.37 -0.64 0.05 0.00 -0.75 0.00 0.00 64.21 63.24 2dkp n SER 77 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dkp n GLU 78 N 1.45 -5.19 -0.09 -1.46 1.02 -1.26 -4.94 120.64 110.17 2dkp n GLU 78 Ca 0.24 0.55 -0.14 0.00 -0.02 0.00 0.00 57.16 57.79 2dkp n GLU 78 Cb 0.49 -4.72 -0.14 0.00 -0.02 0.00 0.00 31.44 27.05 2dkp n GLU 78 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2dkp n ASP 79 N -1.54 1.01 -1.93 1.62 5.75 -1.26 -4.99 116.55 115.21 2dkp n ASP 79 Ca -0.01 0.04 -0.18 0.00 -0.01 0.00 0.00 54.79 54.63 2dkp n ASP 79 Cb 0.54 0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 2dkp n ASP 79 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2dkp n HIS 80 N -3.04 -0.68 -4.48 2.11 8.25 -1.26 -4.99 115.22 111.13 2dkp n HIS 80 Ca -0.35 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.79 2dkp n HIS 80 Cb 1.08 -3.49 -0.11 0.00 1.12 0.00 0.00 29.99 28.59 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 -2.86 3.57 -0.68 1.59 1.01 -1.26 -5.03 121.20 117.53 2dkp s ILE 81 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 2dkp s ILE 81 Cb 0.00 -2.55 0.40 0.00 0.01 0.00 0.00 42.46 40.33 2dkp s ILE 81 CO 0.00 0.39 1.85 0.59 0.00 0.00 0.00 174.94 177.76 2dkp n ASN 82 N 1.55 7.02 -4.40 3.58 4.13 -1.26 -4.96 115.26 120.92 2dkp n ASN 82 Ca -0.15 -3.80 -0.24 0.00 1.68 0.00 0.00 54.58 52.07 2dkp n ASN 82 Cb 0.52 -0.90 -0.11 0.00 -1.54 0.00 0.00 39.78 37.76 2dkp n ASN 82 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2dkp s ARG 83 N -3.88 1.47 0.40 3.52 3.00 -1.26 -5.16 118.95 117.04 2dkp s ARG 83 Ca 0.56 -1.55 0.05 0.00 0.00 0.00 0.00 55.73 54.80 2dkp s ARG 83 Cb 0.46 -1.62 -0.07 0.00 0.00 0.00 0.00 34.95 33.72 2dkp s ARG 83 CO -0.20 0.33 0.03 0.15 0.00 0.00 0.00 175.30 175.61 2dkp s LYS 84 N -2.95 1.90 -1.37 3.54 1.02 -1.26 -4.74 119.74 115.88 2dkp s LYS 84 Ca 0.21 -2.09 -0.04 0.00 0.02 0.00 0.00 55.97 54.07 2dkp s LYS 84 Cb -0.06 -1.37 0.02 0.00 -0.52 0.00 0.00 37.83 35.90 2dkp s LYS 84 CO 0.10 -0.14 0.31 0.66 -0.92 0.00 0.00 175.35 175.35 2dkp n TYR 85 N -0.92 -1.62 -4.38 3.18 4.02 -1.26 -4.80 117.16 111.38 2dkp n TYR 85 Ca -0.06 0.28 -0.21 0.00 -0.01 0.00 0.00 57.90 57.90 2dkp n TYR 85 Cb 0.67 -3.48 -0.09 0.00 -0.02 0.00 0.00 39.34 36.42 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 -2.92 2.21 0.20 -0.72 0.00 -1.26 -3.70 121.76 115.57 2dkp s ALA 86 Ca 0.20 -1.68 0.05 0.00 0.00 0.00 0.00 51.96 50.52 2dkp s ALA 86 Cb -0.10 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 2dkp s ALA 86 CO 0.24 -0.46 0.18 1.97 0.00 0.00 0.00 175.76 177.69 2dkp n PHE 87 N -0.67 -0.51 -3.74 0.00 -1.74 -0.22 -4.10 117.46 106.47 2dkp n PHE 87 Ca -0.01 -1.71 -0.13 0.00 -0.56 0.00 0.00 57.45 55.05 2dkp n PHE 87 Cb 0.65 0.18 -0.10 0.00 1.52 0.00 0.00 39.48 41.73 2dkp n PHE 87 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 2dkp s LYS 88 N -2.82 0.44 -0.20 3.97 -2.85 -1.20 -2.29 119.74 114.81 2dkp s LYS 88 Ca 0.24 0.53 -0.05 0.00 -1.00 0.00 0.00 55.97 55.70 2dkp s LYS 88 Cb 0.01 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.97 2dkp s LYS 88 CO 0.17 -0.05 -0.01 0.00 0.10 0.00 0.00 175.35 175.56 2dkp s ALA 89 N 0.21 3.01 -0.15 0.59 0.00 0.12 -2.46 121.76 123.09 2dkp s ALA 89 Ca -0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 2dkp s ALA 89 Cb -0.03 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 2dkp s ALA 89 CO 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 175.76 175.85 2dkp s ALA 90 N 0.94 3.73 -0.01 0.00 0.00 -0.76 -0.19 121.76 125.47 2dkp s ALA 90 Ca 0.01 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2dkp s ALA 90 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2dkp s ALA 90 CO 0.02 0.32 -0.15 -1.58 0.00 0.00 0.00 175.76 174.37 2dkp s HIS 91 N -0.20 1.33 -0.03 0.00 2.46 -1.24 -1.34 115.29 116.27 2dkp s HIS 91 Ca 0.14 -0.26 -0.24 0.00 0.47 0.00 0.00 55.06 55.17 2dkp s HIS 91 Cb -0.12 -0.86 -0.20 0.00 -0.13 0.00 0.00 32.58 31.27 2dkp s HIS 91 CO 0.03 -0.03 1.18 -1.00 -2.47 0.00 0.00 174.74 172.45 2dkp h PRO 92 N 5.81 0.13 -0.80 2.88 0.13 -1.91 -3.23 132.00 135.01 2dkp h PRO 92 Ca -0.35 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 2dkp h PRO 92 Cb 1.16 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2dkp h PRO 92 CO 0.49 0.71 0.20 0.09 -0.23 0.00 0.00 178.00 179.25 2dkp n ASN 93 N -4.67 4.30 -2.04 1.44 3.02 -1.26 -4.93 115.26 111.12 2dkp n ASN 93 Ca -0.08 -2.93 -0.06 0.00 -0.03 0.00 0.00 54.58 51.47 2dkp n ASN 93 Cb 0.36 -0.69 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.01 0.59 -2.24 3.52 2.81 -1.22 -5.18 117.12 115.40 2dkp n MET 94 Ca 0.31 -1.35 -0.20 0.00 -1.81 0.00 0.00 57.70 54.65 2dkp n MET 94 Cb 1.16 1.57 0.11 0.00 -0.71 0.00 0.00 33.22 35.35 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 -0.31 -0.09 -3.19 0.03 1.85 -1.26 -4.39 116.66 109.29 2dkp n ARG 95 Ca -0.04 -2.29 -0.41 0.00 -1.00 0.00 0.00 57.85 54.11 2dkp n ARG 95 Cb 0.34 -0.62 -0.07 0.00 -1.05 0.00 0.00 32.46 31.06 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 -2.69 5.01 0.41 8.89 2.01 -1.26 -3.66 115.64 124.35 2dkp s THR 96 Ca 0.58 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.24 2dkp s THR 96 Cb -0.03 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2dkp s THR 96 CO 0.38 -0.06 0.74 -0.31 -0.69 0.00 0.00 174.62 174.67 2dkp s TYR 97 N 2.44 3.51 0.03 4.92 1.51 0.73 -4.82 117.35 125.66 2dkp s TYR 97 Ca 0.22 0.88 0.03 0.00 -1.01 0.00 0.00 57.07 57.19 2dkp s TYR 97 Cb -0.15 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 2dkp s TYR 97 CO 0.11 -0.12 -0.10 0.71 -1.11 0.00 0.00 175.55 175.04 2dkp s TYR 98 N -2.46 0.90 -0.09 2.71 2.02 -1.26 0.12 117.35 119.29 2dkp s TYR 98 Ca 0.48 -0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 2dkp s TYR 98 Cb -0.10 -0.55 0.04 0.00 -0.40 0.00 0.00 41.96 40.95 2dkp s TYR 98 CO 0.36 -0.01 0.21 -0.06 -1.57 0.00 0.00 175.55 174.49 2dkp s PHE 99 N -0.75 -0.27 0.17 2.71 0.08 -0.97 -2.97 117.98 115.98 2dkp s PHE 99 Ca -0.01 0.67 0.03 0.00 0.12 0.00 0.00 56.93 57.75 2dkp s PHE 99 Cb -0.07 0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.36 2dkp s PHE 99 CO 0.01 -0.20 -0.05 0.00 -0.10 0.00 0.00 175.22 174.88 2dkp s THR 101 N -3.48 0.54 0.02 0.00 -4.23 -1.24 -3.93 115.64 103.32 2dkp s THR 101 Ca 0.21 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.53 2dkp s THR 101 Cb 0.05 -2.48 -0.23 0.00 1.34 0.00 0.00 72.50 71.18 2dkp s THR 101 CO 0.03 0.00 1.13 0.44 -0.54 0.00 0.00 174.62 175.68 2dkp h ASP 102 N 2.02 0.61 -4.11 3.99 3.32 -1.93 -3.48 116.42 116.84 2dkp h ASP 102 Ca -0.35 -0.74 -0.37 0.00 0.02 0.00 0.00 57.03 55.59 2dkp h ASP 102 Cb 1.26 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2dkp h ASP 102 CO 0.56 1.27 -0.63 0.42 -1.72 0.00 0.00 179.24 179.13 2dkp s THR 103 N -3.28 0.81 0.35 0.35 -4.23 -1.26 -5.04 115.64 103.34 2dkp s THR 103 Ca -0.13 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.45 2dkp s THR 103 Cb 0.04 -2.53 0.31 0.00 1.34 0.00 0.00 72.50 71.66 2dkp s THR 103 CO 0.84 -0.14 1.89 1.23 -0.54 0.00 0.00 174.62 177.90 2dkp h GLY 104 N 2.39 1.16 0.79 3.99 0.00 -1.91 -2.74 103.07 106.75 2dkp h GLY 104 Ca -0.39 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 2dkp h GLY 104 CO 0.64 0.14 -0.47 1.70 0.00 0.00 0.00 176.54 178.55 2dkp h LYS 105 N 0.74 -1.13 -0.24 4.80 1.63 -1.99 0.60 116.57 120.98 2dkp h LYS 105 Ca 0.41 0.08 0.07 0.00 -0.85 0.00 0.00 60.65 60.36 2dkp h LYS 105 Cb 0.57 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 2dkp h LYS 105 CO -0.18 -0.75 0.63 0.93 -3.45 0.00 0.00 179.45 176.63 2dkp h GLU 106 N -1.17 0.00 0.03 1.90 5.08 -1.91 0.15 114.58 118.67 2dkp h GLU 106 Ca -0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 2dkp h GLU 106 Cb 0.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2dkp h GLU 106 CO 0.12 0.00 -0.91 1.98 -1.00 0.00 0.00 179.01 179.20 2dkp h MET 107 N 0.00 0.07 -0.39 2.33 4.05 -1.14 -3.23 114.93 116.61 2dkp h MET 107 Ca 0.11 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2dkp h MET 107 Cb 1.37 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.19 2dkp h MET 107 CO -0.00 1.06 0.26 1.05 0.23 0.00 0.00 176.91 179.51 2dkp h GLU 108 N -0.81 0.35 -0.40 0.39 4.11 0.15 0.17 114.58 118.54 2dkp h GLU 108 Ca -0.23 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.03 2dkp h GLU 108 Cb 1.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2dkp h GLU 108 CO -0.07 0.23 -0.35 -0.07 0.07 0.00 0.00 179.01 178.82 2dkp h LEU 109 N 0.36 0.99 -0.04 3.06 3.38 -1.31 -1.55 115.31 120.20 2dkp h LEU 109 Ca 0.17 -0.44 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 2dkp h LEU 109 Cb 0.21 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2dkp h LEU 109 CO -0.04 1.23 -0.51 -0.50 0.09 0.00 0.00 178.44 178.72 2dkp h TRP 110 N 0.77 0.59 0.41 1.13 -0.00 -1.32 -3.20 115.95 114.33 2dkp h TRP 110 Ca 0.07 -0.29 -0.02 0.00 -0.00 0.00 0.00 58.89 58.65 2dkp h TRP 110 Cb 0.94 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 30.02 2dkp h TRP 110 CO 0.06 1.08 -0.20 0.52 -0.00 0.00 0.00 178.44 179.90 2dkp h MET 111 N -0.08 -0.53 -0.88 0.49 2.86 -0.73 0.33 114.93 116.39 2dkp h MET 111 Ca -0.05 0.04 0.30 0.00 -2.06 0.00 0.00 59.70 57.93 2dkp h MET 111 Cb 1.19 0.12 -0.16 0.00 0.06 0.00 0.00 31.60 32.81 2dkp h MET 111 CO 0.10 -0.36 0.23 1.63 1.06 0.00 0.00 176.91 179.58 2dkp n LYS 112 N -3.55 -0.06 0.04 1.72 4.76 -0.58 -0.16 118.16 120.33 2dkp n LYS 112 Ca -0.07 1.27 -0.02 0.00 -2.87 0.00 0.00 58.31 56.62 2dkp n LYS 112 Cb 0.22 -2.14 -0.01 0.00 -1.84 0.00 0.00 35.03 31.26 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 1.76 -0.31 -0.99 7.82 0.00 -1.51 -3.08 119.26 122.95 2dkp h ALA 113 Ca 0.63 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.64 2dkp h ALA 113 Cb 1.51 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.21 2dkp h ALA 113 CO -0.76 -0.30 -0.45 -1.33 0.00 0.00 0.00 179.25 176.41 2dkp n MET 114 N -3.21 -0.30 -0.24 0.00 2.81 0.12 0.53 117.12 116.82 2dkp n MET 114 Ca -0.02 1.51 0.05 0.00 -1.81 0.00 0.00 57.70 57.44 2dkp n MET 114 Cb 0.06 -2.24 0.17 0.00 -0.71 0.00 0.00 33.22 30.50 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 -0.01 -0.90 4.03 -0.00 -0.70 0.26 115.31 117.99 2dkp h LEU 115 Ca 0.28 0.15 0.20 0.00 -0.00 0.00 0.00 57.88 58.51 2dkp h LEU 115 Cb 0.53 0.20 -0.11 0.00 -0.00 0.00 0.00 40.66 41.28 2dkp h LEU 115 CO -0.97 -0.04 0.45 -0.78 -0.00 0.00 0.00 178.44 177.10 2dkp h ASP 116 N 0.26 0.46 0.00 -0.43 3.58 0.17 0.16 116.42 120.63 2dkp h ASP 116 Ca 0.41 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.99 2dkp h ASP 116 Cb 0.69 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2dkp h ASP 116 CO -0.51 0.09 -0.00 0.00 -2.88 0.00 0.00 179.24 175.94 2dkp h ALA 117 N 1.67 -0.00 -0.44 -0.78 0.00 -0.52 -3.35 119.26 115.82 2dkp h ALA 117 Ca 0.55 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2dkp h ALA 117 Cb 0.96 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2dkp h ALA 117 CO -0.46 -0.01 -0.25 0.00 0.00 0.00 0.00 179.25 178.53 2dkp h ALA 118 N -0.04 0.02 -0.91 0.00 0.00 -0.09 0.33 119.26 118.58 2dkp h ALA 118 Ca -0.00 0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.32 2dkp h ALA 118 Cb 0.94 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2dkp h ALA 118 CO 0.00 -0.61 0.87 1.37 0.00 0.00 0.00 179.25 180.88 2dkp h LEU 119 N -0.16 0.00 -9.68 0.00 8.10 -0.85 -3.37 115.31 109.35 2dkp h LEU 119 Ca 0.20 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 57.65 2dkp h LEU 119 Cb 0.49 0.00 0.07 0.00 -0.44 0.00 0.00 40.66 40.78 2dkp h LEU 119 CO -0.54 0.00 0.84 0.52 -4.11 0.00 0.00 178.44 175.15 2dkp n VAL 120 N -3.66 0.62 -2.39 0.15 0.31 0.12 -4.92 118.33 108.56 2dkp n VAL 120 Ca 0.19 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 2dkp n VAL 120 Cb 1.17 -1.80 0.01 0.00 -0.91 0.00 0.00 33.84 32.31 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 2.73 3.37 -1.30 5.55 6.02 -1.26 -4.58 117.38 127.91 2dkp n GLN 121 Ca 0.12 -4.28 -0.31 0.00 -0.01 0.00 0.00 57.00 52.52 2dkp n GLN 121 Cb 0.34 -2.27 0.11 0.00 1.02 0.00 0.00 30.24 29.44 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 -0.43 3.50 -1.48 5.09 5.66 -1.26 -4.91 114.28 120.45 2dkp n THR 122 Ca 0.43 -2.61 -0.31 0.00 -3.05 0.00 0.00 64.05 58.51 2dkp n THR 122 Cb 0.46 -0.94 0.06 0.00 -1.55 0.00 0.00 70.33 68.37 2dkp n THR 122 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dkp s SER 123 N -1.66 5.11 0.06 1.09 1.04 -1.26 -4.97 113.70 113.10 2dkp s SER 123 Ca 0.62 1.68 -0.30 0.00 0.48 0.00 0.00 55.95 58.43 2dkp s SER 123 Cb 0.50 -2.50 -0.15 0.00 0.10 0.00 0.00 66.02 63.97 2dkp s SER 123 CO 0.03 -1.62 1.46 1.23 0.98 0.00 0.00 173.24 175.31 2dkp h GLY 124 N -0.84 -1.16 0.02 7.32 0.00 -2.02 -2.41 103.07 103.98 2dkp h GLY 124 Ca -0.44 0.49 0.19 0.00 0.00 0.00 0.00 47.33 47.57 2dkp h GLY 124 CO 0.55 -0.38 0.81 -2.55 0.00 0.00 0.00 176.54 174.96 2dkp h PRO 125 N -0.96 0.00 -4.35 4.80 0.11 -2.00 -3.43 132.00 126.17 2dkp h PRO 125 Ca -0.08 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.55 2dkp h PRO 125 Cb 0.78 0.00 0.08 0.00 0.11 0.00 0.00 31.00 31.97 2dkp h PRO 125 CO 0.06 0.00 -0.41 -1.13 -0.21 0.00 0.00 178.00 176.31 2dkp n SER 126 N -3.41 -1.02 -3.53 -2.05 3.41 -0.91 -4.97 113.62 101.14 2dkp n SER 126 Ca 0.14 0.80 -0.09 0.00 -0.26 0.00 0.00 58.87 59.46 2dkp n SER 126 Cb 1.03 -0.68 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 2dkp n SER 126 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dkp s SER 127 N -0.73 -0.08 0.00 4.04 0.01 -1.26 -5.04 113.70 110.64 2dkp s SER 127 Ca 0.46 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2dkp s SER 127 Cb -0.65 1.26 0.00 0.00 0.21 0.00 0.00 66.02 66.84 2dkp s SER 127 CO 0.41 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.41