#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkp h SER 2 N 0.00 -1.00 0.03 1.61 0.02 -2.09 -3.29 113.55 108.82 2dkp h SER 2 Ca 0.00 0.14 -0.34 0.00 -0.84 0.00 0.00 61.79 60.75 2dkp h SER 2 Cb 0.00 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2dkp h SER 2 CO 0.00 -0.38 -1.88 -1.20 -1.14 0.00 0.00 176.83 172.23 2dkp n SER 3 N -5.41 1.97 0.00 3.07 7.64 -1.26 -5.10 113.62 114.53 2dkp n SER 3 Ca -0.04 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2dkp n SER 3 Cb 0.33 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2dkp n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkp n GLY 4 N 1.65 0.89 3.42 0.23 0.00 -1.24 -5.07 105.19 105.06 2dkp n GLY 4 Ca -0.39 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 2dkp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkp s SER 5 N -4.00 -0.49 -0.02 1.61 0.01 -1.26 -3.32 113.70 106.23 2dkp s SER 5 Ca 0.00 0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.44 2dkp s SER 5 Cb 0.00 0.48 -0.26 0.00 0.21 0.00 0.00 66.02 66.46 2dkp s SER 5 CO 0.00 -0.62 1.03 -1.28 0.41 0.00 0.00 173.24 172.77 2dkp h SER 6 N 3.07 0.46 -4.15 2.44 0.87 -2.07 -3.50 113.55 110.65 2dkp h SER 6 Ca -0.29 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.45 2dkp h SER 6 Cb 1.18 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2dkp h SER 6 CO 0.40 1.22 0.00 0.61 -0.53 0.00 0.00 176.83 178.53 2dkp n GLY 7 N 1.23 2.76 3.44 5.77 0.00 -1.26 -5.14 105.19 111.98 2dkp n GLY 7 Ca -0.11 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 2dkp n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dkp s LYS 8 N -1.83 1.57 0.03 1.61 0.00 -1.26 -5.12 119.74 114.74 2dkp s LYS 8 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 55.97 54.12 2dkp s LYS 8 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 37.83 36.66 2dkp s LYS 8 CO 0.00 0.00 0.24 1.03 0.00 0.00 0.00 175.35 176.62 2dkp s ARG 9 N -3.75 3.50 -0.15 1.78 0.52 -1.26 -5.04 118.95 114.56 2dkp s ARG 9 Ca 0.30 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2dkp s ARG 9 Cb 0.05 -3.05 -0.07 0.00 0.52 0.00 0.00 34.95 32.39 2dkp s ARG 9 CO 0.12 0.63 -0.00 0.77 0.02 0.00 0.00 175.30 176.84 2dkp h SER 10 N 3.60 0.00 -0.84 0.23 0.02 -2.02 -3.39 113.55 111.15 2dkp h SER 10 Ca -0.48 -0.17 0.15 0.00 -0.84 0.00 0.00 61.79 60.45 2dkp h SER 10 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 2dkp h SER 10 CO 0.70 0.88 -0.32 -0.55 -1.14 0.00 0.00 176.83 176.39 2dkp h ASN 11 N -1.00 -1.16 -4.55 3.07 7.08 -2.07 -3.42 115.58 113.52 2dkp h ASN 11 Ca -0.07 0.27 -0.27 0.00 -3.08 0.00 0.00 56.30 53.15 2dkp h ASN 11 Cb 0.61 0.64 -0.15 0.00 -2.08 0.00 0.00 38.32 37.34 2dkp h ASN 11 CO -0.04 -0.29 -0.67 -0.94 -2.08 0.00 0.00 177.43 173.40 2dkp s SER 12 N -5.27 1.17 -0.13 6.14 1.04 -1.26 -5.15 113.70 110.24 2dkp s SER 12 Ca -0.14 -1.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.11 2dkp s SER 12 Cb 0.20 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2dkp s SER 12 CO 0.72 -0.55 -0.01 -0.63 0.98 0.00 0.00 173.24 173.75 2dkp s ILE 13 N -3.66 4.14 -0.06 -1.02 1.01 -1.26 -4.21 121.20 116.13 2dkp s ILE 13 Ca 0.22 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2dkp s ILE 13 Cb 0.06 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2dkp s ILE 13 CO 0.02 0.54 -0.16 -0.75 0.00 0.00 0.00 174.94 174.60 2dkp s LYS 14 N -0.20 1.94 0.89 2.79 2.47 -1.26 -5.05 119.74 121.32 2dkp s LYS 14 Ca 0.05 -0.55 -0.11 0.00 -1.56 0.00 0.00 55.97 53.79 2dkp s LYS 14 Cb -0.13 -1.59 0.11 0.00 -1.46 0.00 0.00 37.83 34.76 2dkp s LYS 14 CO 0.02 0.12 1.05 -2.13 0.16 0.00 0.00 175.35 174.58 2dkp n ARG 15 N 3.55 -0.24 -3.95 4.03 0.63 -1.26 -4.98 116.66 114.44 2dkp n ARG 15 Ca -0.21 -0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.42 2dkp n ARG 15 Cb 0.52 -2.31 -0.15 0.00 0.45 0.00 0.00 32.46 30.97 2dkp n ARG 15 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2dkp s ASN 16 N -2.38 4.51 0.23 6.15 2.47 -1.26 -5.00 114.94 119.65 2dkp s ASN 16 Ca 0.68 -2.28 -0.15 0.00 0.42 0.00 0.00 52.86 51.52 2dkp s ASN 16 Cb -0.25 -1.48 0.26 0.00 -1.45 0.00 0.00 41.25 38.33 2dkp s ASN 16 CO 0.57 -0.35 1.57 -0.65 -3.72 0.00 0.00 177.10 174.53 2dkp h PRO 17 N 7.41 -0.04 -0.60 0.43 0.11 -2.05 0.74 132.00 138.01 2dkp h PRO 17 Ca -0.06 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.17 2dkp h PRO 17 Cb 0.99 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.00 2dkp h PRO 17 CO 0.54 -0.03 -0.10 -0.91 -0.21 0.00 0.00 178.00 177.30 2dkp h ASN 18 N -0.04 -0.45 -0.15 -2.05 2.35 -2.04 -3.40 115.58 109.79 2dkp h ASN 18 Ca 0.34 0.17 -0.55 0.00 -0.55 0.00 0.00 56.30 55.71 2dkp h ASN 18 Cb 0.60 0.33 -0.07 0.00 0.05 0.00 0.00 38.32 39.23 2dkp h ASN 18 CO -0.87 -0.17 1.66 0.00 -1.65 0.00 0.00 177.43 176.40 2dkp n ALA 19 N -2.92 0.34 -1.48 -0.83 0.00 0.25 -4.68 120.51 111.18 2dkp n ALA 19 Ca 0.07 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2dkp n ALA 19 Cb 0.32 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 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 8.35 0.46 -1.68 0.00 -0.02 -1.26 -4.75 135.00 136.09 2dkp n PRO 20 Ca 0.61 0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 2dkp n PRO 20 Cb 0.06 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 2dkp n PRO 20 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dkp n VAL 21 N 7.50 0.33 -0.03 -1.45 0.31 -1.26 -4.78 118.33 118.94 2dkp n VAL 21 Ca 0.53 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.68 2dkp n VAL 21 Cb 0.20 -1.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.12 2dkp n VAL 21 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2dkp h VAL 22 N 4.59 1.29 -1.25 2.52 2.07 -1.38 -3.48 116.25 120.61 2dkp h VAL 22 Ca -0.46 -0.95 0.17 0.00 0.82 0.00 0.00 66.70 66.27 2dkp h VAL 22 Cb 1.24 1.75 -0.28 0.00 -1.52 0.00 0.00 31.29 32.48 2dkp h VAL 22 CO 0.93 0.27 0.77 -0.60 0.02 0.00 0.00 177.57 178.96 2dkp s ARG 23 N -4.72 0.24 -0.04 1.57 3.00 -1.23 -5.04 118.95 112.73 2dkp s ARG 23 Ca -0.15 0.15 0.01 0.00 -1.00 0.00 0.00 55.73 54.74 2dkp s ARG 23 Cb 0.04 0.12 0.02 0.00 0.00 0.00 0.00 34.95 35.13 2dkp s ARG 23 CO 0.70 -0.06 -0.03 -0.98 0.00 0.00 0.00 175.30 174.94 2dkp s ARG 24 N -0.56 0.67 0.07 5.12 1.70 -1.26 -1.41 118.95 123.29 2dkp s ARG 24 Ca 0.05 -0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 55.02 2dkp s ARG 24 Cb -0.03 -0.77 0.07 0.00 -0.57 0.00 0.00 34.95 33.66 2dkp s ARG 24 CO -0.08 -0.12 0.64 0.20 -1.08 0.00 0.00 175.30 174.86 2dkp s GLY 25 N 1.07 -0.60 -0.78 3.88 0.00 -1.04 -5.03 107.32 104.82 2dkp s GLY 25 Ca -0.09 0.83 -0.25 0.00 0.00 0.00 0.00 44.72 45.21 2dkp s GLY 25 CO -0.01 0.48 2.12 -0.98 0.00 0.00 0.00 173.10 174.71 2dkp s TRP 26 N -2.72 1.51 0.54 1.90 0.52 -1.26 -3.13 118.94 116.29 2dkp s TRP 26 Ca -0.04 1.15 -0.07 0.00 0.02 0.00 0.00 56.10 57.17 2dkp s TRP 26 Cb -0.01 -3.82 -0.03 0.00 -1.15 0.00 0.00 33.47 28.46 2dkp s TRP 26 CO -0.04 -1.86 0.87 -1.17 0.02 0.00 0.00 176.95 174.77 2dkp s LEU 27 N 11.54 3.46 -0.16 2.99 2.96 -0.68 -4.80 118.68 133.98 2dkp s LEU 27 Ca 0.79 1.05 -0.04 0.00 -0.22 0.00 0.00 54.13 55.71 2dkp s LEU 27 Cb -0.10 -4.01 -0.03 0.00 0.50 0.00 0.00 46.19 42.55 2dkp s LEU 27 CO 0.08 -0.72 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.04 2dkp s TYR 28 N -2.90 3.03 0.11 5.38 2.02 -1.26 -1.99 117.35 121.74 2dkp s TYR 28 Ca 0.50 -0.34 0.09 0.00 -0.37 0.00 0.00 57.07 56.96 2dkp s TYR 28 Cb -0.11 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 2dkp s TYR 28 CO 0.48 -0.08 -0.22 0.21 -1.57 0.00 0.00 175.55 174.36 2dkp s LYS 29 N 0.49 1.20 1.36 -0.62 2.20 -0.75 -3.43 119.74 120.20 2dkp s LYS 29 Ca -0.03 -1.21 -0.21 0.00 -0.36 0.00 0.00 55.97 54.17 2dkp s LYS 29 Cb -0.14 -1.52 0.34 0.00 -1.51 0.00 0.00 37.83 35.00 2dkp s LYS 29 CO 0.03 0.36 0.81 1.04 -0.36 0.00 0.00 175.35 177.22 2dkp n GLN 30 N 1.05 -4.05 0.00 4.03 1.13 -1.20 -0.32 117.38 118.03 2dkp n GLN 30 Ca -0.19 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.68 2dkp n GLN 30 Cb 0.53 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.98 2dkp n GLN 30 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2dkp n ASP 31 N -4.97 3.10 -3.44 1.08 2.03 -0.71 -4.57 116.55 109.08 2dkp n ASP 31 Ca 0.10 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.24 2dkp n ASP 31 Cb 0.56 0.04 0.09 0.00 -0.72 0.00 0.00 41.12 41.08 2dkp n ASP 31 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2dkp n SER 32 N -2.20 -2.13 -3.38 1.67 7.64 -1.26 -4.98 113.62 108.98 2dkp n SER 32 Ca 0.00 -0.62 -0.26 0.00 1.01 0.00 0.00 58.87 59.00 2dkp n SER 32 Cb 0.38 -5.11 -0.09 0.00 -1.01 0.00 0.00 64.21 58.38 2dkp n SER 32 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dkp n THR 33 N -4.15 0.13 0.00 0.44 -2.24 -1.26 -4.93 114.28 102.28 2dkp n THR 33 Ca -0.28 -4.24 0.00 0.00 -2.27 0.00 0.00 64.05 57.26 2dkp n THR 33 Cb 0.67 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2dkp n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dkp n GLY 34 N 1.70 2.11 2.88 3.38 0.00 -1.26 -4.90 105.19 109.11 2dkp n GLY 34 Ca 0.25 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2dkp n GLY 34 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkp s MET 35 N 0.00 0.89 -1.02 1.61 -1.94 -1.26 -5.05 119.30 112.52 2dkp s MET 35 Ca 0.00 -0.10 -0.26 0.00 -1.71 0.00 0.00 55.69 53.62 2dkp s MET 35 Cb 0.00 -0.94 -0.22 0.00 2.01 0.00 0.00 34.83 35.68 2dkp s MET 35 CO 0.00 -0.12 2.10 1.63 -0.01 0.00 0.00 175.02 178.62 2dkp n LYS 36 N 4.25 0.13 -3.75 2.03 4.76 -1.26 -4.48 118.16 119.83 2dkp n LYS 36 Ca -0.21 -1.57 -0.23 0.00 -2.87 0.00 0.00 58.31 53.44 2dkp n LYS 36 Cb 0.51 -3.81 -0.04 0.00 -1.84 0.00 0.00 35.03 29.84 2dkp n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dkp s LEU 37 N 16.62 3.23 0.22 -0.35 1.43 -1.26 -4.97 118.68 133.59 2dkp s LEU 37 Ca 0.80 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 2dkp s LEU 37 Cb -0.06 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2dkp s LEU 37 CO 0.17 -0.69 0.02 0.26 0.23 0.00 0.00 176.35 176.35 2dkp s TRP 38 N -2.55 2.82 0.02 0.29 0.52 -1.26 -1.74 118.94 117.04 2dkp s TRP 38 Ca 0.45 -0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.41 2dkp s TRP 38 Cb -0.01 -1.32 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2dkp s TRP 38 CO 0.26 0.55 -0.03 0.15 0.02 0.00 0.00 176.95 177.90 2dkp s LYS 39 N -3.30 0.28 -0.04 4.98 -0.14 0.56 -4.91 119.74 117.18 2dkp s LYS 39 Ca 0.29 -0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.21 2dkp s LYS 39 Cb -0.08 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.96 2dkp s LYS 39 CO 0.20 0.01 0.96 0.21 -0.76 0.00 0.00 175.35 175.96 2dkp s LYS 40 N -0.87 4.51 -0.09 1.68 2.20 -1.26 -1.80 119.74 124.10 2dkp s LYS 40 Ca -0.08 1.35 -0.17 0.00 -0.36 0.00 0.00 55.97 56.72 2dkp s LYS 40 Cb -0.06 -3.48 0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2dkp s LYS 40 CO -0.00 -0.11 0.41 0.50 -0.36 0.00 0.00 175.35 175.79 2dkp s ARG 41 N 1.26 0.64 0.16 4.03 6.06 -0.84 -5.00 118.95 125.26 2dkp s ARG 41 Ca 0.49 0.23 -0.30 0.00 -2.50 0.00 0.00 55.73 53.65 2dkp s ARG 41 Cb -0.20 0.30 -0.07 0.00 0.06 0.00 0.00 34.95 35.03 2dkp s ARG 41 CO 0.24 -0.14 1.11 -0.46 -2.50 0.00 0.00 175.30 173.55 2dkp s TRP 42 N -0.59 3.57 0.04 5.12 -0.00 -1.26 -1.69 118.94 124.12 2dkp s TRP 42 Ca -0.07 1.56 0.02 0.00 -0.00 0.00 0.00 56.10 57.61 2dkp s TRP 42 Cb -0.04 -3.30 -0.02 0.00 -0.00 0.00 0.00 33.47 30.11 2dkp s TRP 42 CO 0.03 -0.70 -0.08 -0.06 -0.00 0.00 0.00 176.95 176.15 2dkp s PHE 43 N -0.08 0.68 -0.03 5.86 0.08 -1.18 -3.31 117.98 119.99 2dkp s PHE 43 Ca 0.50 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.05 2dkp s PHE 43 Cb -0.29 -0.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.78 2dkp s PHE 43 CO 0.34 -0.08 0.03 0.08 -0.10 0.00 0.00 175.22 175.49 2dkp s VAL 44 N -1.40 0.01 -0.57 -0.44 1.01 0.15 -2.50 120.40 116.66 2dkp s VAL 44 Ca -0.10 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 2dkp s VAL 44 Cb -0.10 -0.17 0.11 0.00 0.00 0.00 0.00 36.38 36.22 2dkp s VAL 44 CO 0.00 0.14 0.63 -0.22 0.00 0.00 0.00 175.10 175.65 2dkp s LEU 45 N 1.42 5.62 0.04 3.92 1.98 -0.50 -2.33 118.68 128.82 2dkp s LEU 45 Ca -0.05 -1.51 -0.07 0.00 -2.89 0.00 0.00 54.13 49.62 2dkp s LEU 45 Cb -0.13 -2.28 -0.01 0.00 0.66 0.00 0.00 46.19 44.44 2dkp s LEU 45 CO -0.03 -1.01 0.12 -0.55 -1.89 0.00 0.00 176.35 173.00 2dkp s SER 46 N 3.53 0.13 -1.64 3.68 0.15 -1.13 -0.99 113.70 117.43 2dkp s SER 46 Ca 0.09 -0.47 -0.15 0.00 0.70 0.00 0.00 55.95 56.12 2dkp s SER 46 Cb -0.26 0.24 0.13 0.00 -1.71 0.00 0.00 66.02 64.42 2dkp s SER 46 CO 0.06 -0.51 0.71 -0.67 1.20 0.00 0.00 173.24 174.03 2dkp n ASP 47 N 0.80 -2.73 -4.22 5.45 2.03 -1.26 -0.28 116.55 116.35 2dkp n ASP 47 Ca -0.19 -1.01 -0.35 0.00 0.52 0.00 0.00 54.79 53.76 2dkp n ASP 47 Cb 0.58 -2.81 -0.04 0.00 -0.72 0.00 0.00 41.12 38.13 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 -4.40 -1.65 -4.08 -2.67 7.99 -1.26 -4.92 117.00 106.00 2dkp n LEU 48 Ca -0.00 -1.05 -0.10 0.00 -0.01 0.00 0.00 56.01 54.84 2dkp n LEU 48 Cb 0.53 -2.02 -0.08 0.00 -0.11 0.00 0.00 43.42 41.74 2dkp n LEU 48 CO 0.84 0.31 -0.03 0.00 -1.51 0.00 0.00 177.39 176.99 2dkp s LEU 50 N -3.07 3.44 -0.04 0.00 1.43 -0.02 -2.84 118.68 117.58 2dkp s LEU 50 Ca 0.28 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2dkp s LEU 50 Cb 0.03 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2dkp s LEU 50 CO 0.09 0.25 0.08 -0.36 0.23 0.00 0.00 176.35 176.64 2dkp s PHE 51 N -0.14 -0.04 0.12 0.29 0.08 -0.99 -1.43 117.98 115.87 2dkp s PHE 51 Ca 0.04 0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.43 2dkp s PHE 51 Cb -0.13 -0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 2dkp s PHE 51 CO 0.02 -0.14 -0.12 1.52 -0.10 0.00 0.00 175.22 176.41 2dkp s TYR 52 N 1.33 1.25 0.36 0.36 -0.85 -1.25 0.34 117.35 118.89 2dkp s TYR 52 Ca -0.06 -0.64 0.04 0.00 -0.52 0.00 0.00 57.07 55.88 2dkp s TYR 52 Cb -0.12 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.53 2dkp s TYR 52 CO -0.04 0.08 0.13 0.71 -1.52 0.00 0.00 175.55 174.91 2dkp s TYR 53 N -2.57 1.76 0.40 -3.49 1.51 -1.21 -3.15 117.35 110.60 2dkp s TYR 53 Ca 0.10 -1.26 0.06 0.00 -1.01 0.00 0.00 57.07 54.96 2dkp s TYR 53 Cb -0.02 -1.08 0.82 0.00 -0.11 0.00 0.00 41.96 41.57 2dkp s TYR 53 CO 0.01 -0.32 2.04 0.07 -1.11 0.00 0.00 175.55 176.24 2dkp h ARG 54 N 1.98 0.57 0.00 -0.62 0.11 -1.89 -3.37 114.38 111.17 2dkp h ARG 54 Ca -0.36 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2dkp h ARG 54 Cb 1.26 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2dkp h ARG 54 CO 0.57 0.39 0.28 -0.40 0.10 0.00 0.00 179.97 180.91 2dkp n ASP 55 N -4.46 -1.87 -0.19 0.08 5.68 -1.26 -4.85 116.55 109.69 2dkp n ASP 55 Ca 0.03 -2.25 0.17 0.00 -0.50 0.00 0.00 54.79 52.24 2dkp n ASP 55 Cb 0.07 3.10 0.51 0.00 -1.14 0.00 0.00 41.12 43.66 2dkp n ASP 55 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2dkp h GLU 56 N 0.00 0.39 -0.74 0.11 4.11 -1.98 0.21 114.58 116.67 2dkp h GLU 56 Ca -0.28 -0.02 0.22 0.00 0.07 0.00 0.00 59.36 59.35 2dkp h GLU 56 Cb 1.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2dkp h GLU 56 CO 0.35 0.26 0.76 0.87 0.07 0.00 0.00 179.01 181.32 2dkp h LYS 57 N 0.41 0.00 -6.29 1.06 1.57 -1.98 -3.44 116.57 107.89 2dkp h LYS 57 Ca 0.40 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.72 2dkp h LYS 57 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2dkp h LYS 57 CO -0.13 0.00 -0.82 0.39 -0.57 0.00 0.00 179.45 178.32 2dkp n GLU 58 N -3.64 -4.68 -3.38 3.15 1.02 0.06 -4.91 120.64 108.27 2dkp n GLU 58 Ca 0.16 0.55 -0.44 0.00 -0.02 0.00 0.00 57.16 57.41 2dkp n GLU 58 Cb 1.01 -5.15 -0.01 0.00 -0.02 0.00 0.00 31.44 27.27 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 -6.37 3.98 0.00 3.49 0.41 -1.26 -4.85 118.70 114.10 2dkp s GLU 59 Ca 0.28 -3.11 0.00 0.00 -0.41 0.00 0.00 54.97 51.73 2dkp s GLU 59 Cb -0.14 -4.45 0.00 0.00 -1.78 0.00 0.00 34.13 27.75 2dkp s GLU 59 CO 0.84 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.77 2dkp n GLY 60 N 2.85 0.50 3.68 -1.39 0.00 -1.26 -4.85 105.19 104.72 2dkp n GLY 60 Ca 0.22 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 4.41 0.27 -0.61 1.01 -1.26 -4.21 121.20 120.81 2dkp s ILE 61 Ca 0.00 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.45 2dkp s ILE 61 Cb 0.00 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2dkp s ILE 61 CO 0.00 -0.04 1.61 -0.07 0.00 0.00 0.00 174.94 176.44 2dkp h LEU 62 N 8.52 0.08 -7.00 2.97 3.38 -1.89 -3.47 115.31 117.90 2dkp h LEU 62 Ca -0.31 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 57.84 2dkp h LEU 62 Cb 1.14 -0.02 -0.31 0.00 0.09 0.00 0.00 40.66 41.56 2dkp h LEU 62 CO 0.90 0.66 0.94 -0.83 0.09 0.00 0.00 178.44 180.20 2dkp s GLY 63 N -4.41 0.27 0.14 0.83 0.00 -1.26 -5.13 107.32 97.75 2dkp s GLY 63 Ca -0.02 3.27 0.04 0.00 0.00 0.00 0.00 44.72 48.01 2dkp s GLY 63 CO 0.77 1.57 0.14 -1.35 0.00 0.00 0.00 173.10 174.24 2dkp s SER 64 N -0.45 5.65 -0.08 1.64 1.04 -1.26 -3.92 113.70 116.33 2dkp s SER 64 Ca 0.08 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.48 2dkp s SER 64 Cb -0.03 -1.53 0.02 0.00 0.10 0.00 0.00 66.02 64.58 2dkp s SER 64 CO -0.13 0.10 -0.08 -0.63 0.98 0.00 0.00 173.24 173.48 2dkp s ILE 65 N -1.64 0.95 -0.52 -1.02 1.01 -0.52 -5.03 121.20 114.44 2dkp s ILE 65 Ca 0.31 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 2dkp s ILE 65 Cb -0.11 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.45 2dkp s ILE 65 CO 0.24 0.34 1.02 -0.76 0.00 0.00 0.00 174.94 175.77 2dkp s LEU 66 N 1.24 3.86 0.12 2.97 2.01 -1.26 -0.84 118.68 126.78 2dkp s LEU 66 Ca -0.04 0.03 -0.14 0.00 0.01 0.00 0.00 54.13 53.99 2dkp s LEU 66 Cb -0.14 -3.13 -0.05 0.00 0.01 0.00 0.00 46.19 42.88 2dkp s LEU 66 CO -0.03 -1.23 1.49 -0.07 1.01 0.00 0.00 176.35 177.53 2dkp h LEU 67 N 11.08 0.78 -1.59 1.79 3.38 -1.79 -2.98 115.31 125.97 2dkp h LEU 67 Ca -0.25 -0.41 0.17 0.00 0.09 0.00 0.00 57.88 57.48 2dkp h LEU 67 Cb 1.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2dkp h LEU 67 CO 1.09 1.02 0.72 -0.65 0.09 0.00 0.00 178.44 180.72 2dkp h PRO 68 N 0.54 0.00 0.00 1.13 0.11 -1.17 0.95 132.00 133.57 2dkp h PRO 68 Ca 0.08 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 2dkp h PRO 68 Cb 0.73 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 2dkp h PRO 68 CO 0.05 0.00 -1.53 0.43 -0.21 0.00 0.00 178.00 176.74 2dkp n SER 69 N -3.44 0.47 -4.89 -2.05 7.64 -1.13 -4.78 113.62 105.43 2dkp n SER 69 Ca 0.12 0.19 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 2dkp n SER 69 Cb 0.93 1.05 0.02 0.00 -1.01 0.00 0.00 64.21 65.20 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 -3.32 3.46 -0.23 1.43 0.08 0.33 -4.58 117.98 115.14 2dkp s PHE 70 Ca -0.04 0.97 0.00 0.00 0.12 0.00 0.00 56.93 57.98 2dkp s PHE 70 Cb 0.11 -2.71 0.06 0.00 -0.57 0.00 0.00 43.02 39.91 2dkp s PHE 70 CO 0.84 -0.74 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.05 2dkp s GLN 71 N -5.08 1.42 -0.21 0.44 0.74 -0.02 -4.77 119.66 112.18 2dkp s GLN 71 Ca 0.54 -0.92 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 2dkp s GLN 71 Cb -0.11 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.51 2dkp s GLN 71 CO 0.49 -0.63 1.03 0.42 -0.55 0.00 0.00 175.29 176.05 2dkp s ILE 72 N 1.47 4.70 -0.07 -2.34 -1.09 -1.26 -1.73 121.20 120.88 2dkp s ILE 72 Ca -0.04 2.02 -0.08 0.00 -2.23 0.00 0.00 60.65 60.32 2dkp s ILE 72 Cb -0.18 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.41 2dkp s ILE 72 CO -0.07 -0.15 0.22 0.00 -1.23 0.00 0.00 174.94 173.71 2dkp s ALA 73 N 2.99 -0.54 0.28 9.38 0.00 -0.99 -5.03 121.76 127.85 2dkp s ALA 73 Ca 0.45 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 2dkp s ALA 73 Cb -0.16 -0.30 -0.11 0.00 0.00 0.00 0.00 23.12 22.56 2dkp s ALA 73 CO 0.08 -0.12 1.48 -0.51 0.00 0.00 0.00 175.76 176.69 2dkp s LEU 74 N -0.10 4.37 1.11 0.00 2.01 -1.26 -2.96 118.68 121.85 2dkp s LEU 74 Ca -0.02 2.79 -0.18 0.00 0.01 0.00 0.00 54.13 56.73 2dkp s LEU 74 Cb -0.02 -3.63 0.11 0.00 0.01 0.00 0.00 46.19 42.65 2dkp s LEU 74 CO 0.01 -0.77 0.10 0.18 1.01 0.00 0.00 176.35 176.88 2dkp n LEU 75 N 1.96 -2.06 -4.02 1.79 4.77 -1.26 -4.92 117.00 113.26 2dkp n LEU 75 Ca 0.06 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2dkp n LEU 75 Cb 0.39 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 2dkp n LEU 75 CO 0.62 -3.15 0.21 0.42 -1.33 0.00 0.00 177.39 174.15 2dkp s THR 76 N -2.26 0.00 0.61 -5.08 -4.23 -1.26 -5.01 115.64 98.41 2dkp s THR 76 Ca 0.57 -1.45 0.27 0.00 -1.18 0.00 0.00 61.69 59.90 2dkp s THR 76 Cb -0.13 -2.51 0.34 0.00 1.34 0.00 0.00 72.50 71.54 2dkp s THR 76 CO 0.66 0.00 1.78 -1.28 -0.54 0.00 0.00 174.62 175.24 2dkp h SER 77 N 2.16 0.00 -0.30 3.99 0.87 -1.97 0.78 113.55 119.07 2dkp h SER 77 Ca -0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2dkp h SER 77 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2dkp h SER 77 CO 0.38 0.00 0.15 -0.33 -0.53 0.00 0.00 176.83 176.50 2dkp h GLU 78 N 0.00 0.42 -6.91 2.24 5.08 -1.99 -3.43 114.58 109.99 2dkp h GLU 78 Ca 0.19 -0.06 -0.53 0.00 -1.00 0.00 0.00 59.36 57.96 2dkp h GLU 78 Cb 1.32 -0.08 0.09 0.00 0.50 0.00 0.00 28.75 30.58 2dkp h GLU 78 CO -0.00 0.39 0.75 0.34 -1.00 0.00 0.00 179.01 179.48 2dkp s ASP 79 N -5.63 6.47 -0.27 1.42 2.15 0.26 -4.90 116.67 116.18 2dkp s ASP 79 Ca -0.13 2.94 0.02 0.00 0.43 0.00 0.00 52.55 55.81 2dkp s ASP 79 Cb 0.09 -2.66 0.40 0.00 -0.30 0.00 0.00 42.92 40.45 2dkp s ASP 79 CO 0.72 -0.78 1.55 1.41 -0.17 0.00 0.00 175.17 177.90 2dkp n HIS 80 N 0.71 1.84 -4.86 -5.34 8.25 -1.26 -4.88 115.22 109.67 2dkp n HIS 80 Ca 0.01 -1.30 -0.31 0.00 -0.26 0.00 0.00 57.72 55.86 2dkp n HIS 80 Cb 0.40 -0.67 -0.13 0.00 1.12 0.00 0.00 29.99 30.71 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 -1.98 2.72 -0.33 1.59 1.01 -1.26 -5.04 121.20 117.91 2dkp s ILE 81 Ca 0.34 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2dkp s ILE 81 Cb 0.29 -2.08 0.45 0.00 0.01 0.00 0.00 42.46 41.13 2dkp s ILE 81 CO 0.07 0.47 1.22 0.59 0.00 0.00 0.00 174.94 177.28 2dkp n ASN 82 N 1.97 5.02 -4.86 3.58 4.13 -1.26 -5.02 115.26 118.82 2dkp n ASN 82 Ca -0.16 -3.75 -0.36 0.00 1.68 0.00 0.00 54.58 51.99 2dkp n ASN 82 Cb 0.52 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.31 2dkp n ASN 82 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2dkp s ARG 83 N -3.60 3.76 0.64 3.52 6.06 -1.26 -5.09 118.95 122.98 2dkp s ARG 83 Ca 0.51 0.18 -0.10 0.00 -2.50 0.00 0.00 55.73 53.82 2dkp s ARG 83 Cb 0.41 -3.08 -0.01 0.00 0.06 0.00 0.00 34.95 32.33 2dkp s ARG 83 CO -0.00 0.62 1.03 0.15 -2.50 0.00 0.00 175.30 174.59 2dkp s LYS 84 N -1.62 3.19 -0.98 5.12 -0.14 -1.26 -4.15 119.74 119.91 2dkp s LYS 84 Ca 0.29 0.49 -0.11 0.00 -1.36 0.00 0.00 55.97 55.27 2dkp s LYS 84 Cb -0.14 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 33.92 2dkp s LYS 84 CO 0.16 -0.76 0.21 0.66 -0.76 0.00 0.00 175.35 174.86 2dkp n TYR 85 N -2.81 -0.91 -4.39 3.18 4.02 -1.26 -4.52 117.16 110.47 2dkp n TYR 85 Ca 0.06 0.25 -0.25 0.00 -0.01 0.00 0.00 57.90 57.94 2dkp n TYR 85 Cb 0.56 -1.94 -0.13 0.00 -0.02 0.00 0.00 39.34 37.81 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 -3.97 1.85 0.16 -0.72 0.00 -1.26 -2.92 121.76 114.91 2dkp s ALA 86 Ca 0.16 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 2dkp s ALA 86 Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2dkp s ALA 86 CO 0.69 0.39 0.07 -0.59 0.00 0.00 0.00 175.76 176.32 2dkp s PHE 87 N -1.06 1.01 0.07 0.00 -0.71 0.17 -4.11 117.98 113.34 2dkp s PHE 87 Ca 0.07 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.74 2dkp s PHE 87 Cb -0.10 -0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 41.14 2dkp s PHE 87 CO 0.04 -0.52 -0.09 -1.59 -1.34 0.00 0.00 175.22 171.72 2dkp s LYS 88 N -4.07 0.71 -0.11 1.99 -2.85 -1.16 -0.38 119.74 113.87 2dkp s LYS 88 Ca 0.29 -0.98 0.03 0.00 -1.00 0.00 0.00 55.97 54.31 2dkp s LYS 88 Cb 0.07 -0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 35.41 2dkp s LYS 88 CO 0.05 0.07 -0.21 0.00 0.10 0.00 0.00 175.35 175.36 2dkp s ALA 89 N -1.98 2.28 -0.05 0.59 0.00 -0.41 -2.35 121.76 119.83 2dkp s ALA 89 Ca -0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 2dkp s ALA 89 Cb -0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2dkp s ALA 89 CO -0.00 0.24 0.20 0.00 0.00 0.00 0.00 175.76 176.20 2dkp s ALA 90 N 0.41 3.88 -0.00 0.00 0.00 -0.70 0.48 121.76 125.82 2dkp s ALA 90 Ca -0.16 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2dkp s ALA 90 Cb -0.17 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 2dkp s ALA 90 CO 0.07 0.65 -0.04 -1.58 0.00 0.00 0.00 175.76 174.86 2dkp s HIS 91 N -1.17 0.37 -0.05 0.00 2.46 -1.24 -0.84 115.29 114.82 2dkp s HIS 91 Ca 0.22 -0.08 -0.26 0.00 0.47 0.00 0.00 55.06 55.41 2dkp s HIS 91 Cb -0.13 -0.24 -0.22 0.00 -0.13 0.00 0.00 32.58 31.87 2dkp s HIS 91 CO 0.11 -0.01 1.08 -1.00 -2.47 0.00 0.00 174.74 172.46 2dkp h PRO 92 N 6.01 0.09 -0.45 2.88 0.13 -1.91 -3.25 132.00 135.49 2dkp h PRO 92 Ca -0.27 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2dkp h PRO 92 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dkp h PRO 92 CO 0.50 0.77 0.00 0.09 -0.23 0.00 0.00 178.00 179.13 2dkp n ASN 93 N -4.66 2.36 -2.19 1.44 3.02 -1.26 -4.91 115.26 109.06 2dkp n ASN 93 Ca -0.09 -2.06 -0.09 0.00 -0.03 0.00 0.00 54.58 52.31 2dkp n ASN 93 Cb 0.40 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.65 0.41 -2.15 3.52 2.81 -1.23 -4.97 117.12 116.17 2dkp n MET 94 Ca 0.14 -1.68 -0.19 0.00 -1.81 0.00 0.00 57.70 54.16 2dkp n MET 94 Cb 0.40 1.61 0.10 0.00 -0.71 0.00 0.00 33.22 34.61 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 -0.35 -0.02 -3.22 0.03 -4.01 -1.26 -4.29 116.66 103.54 2dkp n ARG 95 Ca 0.01 -2.16 -0.40 0.00 -1.04 0.00 0.00 57.85 54.26 2dkp n ARG 95 Cb 0.35 -0.56 -0.07 0.00 -3.04 0.00 0.00 32.46 29.14 2dkp n ARG 95 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2dkp s THR 96 N -2.48 5.08 0.70 8.89 2.01 -1.26 -3.60 115.64 124.98 2dkp s THR 96 Ca 0.54 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 63.46 2dkp s THR 96 Cb -0.03 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 68.72 2dkp s THR 96 CO 0.36 0.14 0.98 -0.31 -0.69 0.00 0.00 174.62 175.09 2dkp s TYR 97 N 1.91 2.36 -0.13 4.92 1.51 0.18 -4.86 117.35 123.24 2dkp s TYR 97 Ca 0.24 0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 56.32 2dkp s TYR 97 Cb -0.15 -3.12 0.05 0.00 -0.11 0.00 0.00 41.96 38.63 2dkp s TYR 97 CO 0.09 -1.49 0.31 0.71 -1.11 0.00 0.00 175.55 174.06 2dkp s TYR 98 N -3.16 -0.43 -0.02 2.71 1.51 -1.26 -1.29 117.35 115.40 2dkp s TYR 98 Ca 0.63 0.98 0.01 0.00 -1.01 0.00 0.00 57.07 57.67 2dkp s TYR 98 Cb -0.08 0.14 0.01 0.00 -0.11 0.00 0.00 41.96 41.92 2dkp s TYR 98 CO 0.44 -0.27 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.52 2dkp s PHE 99 N 1.20 0.49 0.17 2.71 0.08 0.49 -3.21 117.98 119.92 2dkp s PHE 99 Ca -0.08 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.90 2dkp s PHE 99 Cb -0.09 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.88 2dkp s PHE 99 CO -0.09 -0.10 -0.04 0.00 -0.10 0.00 0.00 175.22 174.89 2dkp n THR 101 N -0.26 0.00 0.02 0.00 -2.24 -1.15 -4.09 114.28 106.57 2dkp n THR 101 Ca -0.08 -1.35 -0.02 0.00 -2.27 0.00 0.00 64.05 60.33 2dkp n THR 101 Cb 0.62 0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.89 0.00 -5.41 3.42 3.58 -1.92 -3.46 116.42 113.52 2dkp h ASP 102 Ca -0.19 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.08 2dkp h ASP 102 Cb 0.69 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.65 2dkp h ASP 102 CO 0.30 0.67 -0.21 0.42 -2.88 0.00 0.00 179.24 177.55 2dkp s THR 103 N -2.85 0.00 0.10 2.25 -4.23 -1.26 -5.05 115.64 104.60 2dkp s THR 103 Ca -0.03 -1.56 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 2dkp s THR 103 Cb 0.08 -2.45 -0.11 0.00 1.34 0.00 0.00 72.50 71.36 2dkp s THR 103 CO 0.81 0.00 1.67 1.23 -0.54 0.00 0.00 174.62 177.79 2dkp h GLY 104 N 2.23 -0.37 -0.02 3.99 0.00 -1.94 -2.91 103.07 104.06 2dkp h GLY 104 Ca -0.28 0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.26 2dkp h GLY 104 CO 0.39 -0.18 -0.28 1.70 0.00 0.00 0.00 176.54 178.18 2dkp h LYS 105 N -0.38 -0.32 -0.82 4.80 3.11 -1.98 0.35 116.57 121.32 2dkp h LYS 105 Ca 0.01 0.02 0.24 0.00 -2.81 0.00 0.00 60.65 58.11 2dkp h LYS 105 Cb 0.37 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 2dkp h LYS 105 CO -0.06 -0.22 1.06 0.93 -2.81 0.00 0.00 179.45 178.36 2dkp h GLU 106 N -0.34 0.00 0.09 1.90 5.08 -1.97 1.43 114.58 120.77 2dkp h GLU 106 Ca 0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.03 2dkp h GLU 106 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2dkp h GLU 106 CO -0.20 0.00 -1.90 -0.12 -1.00 0.00 0.00 179.01 175.79 2dkp n MET 107 N -3.23 0.73 -0.04 2.33 1.56 0.53 -3.84 117.12 115.15 2dkp n MET 107 Ca 0.18 0.28 -0.00 0.00 -0.27 0.00 0.00 57.70 57.88 2dkp n MET 107 Cb 1.32 -1.74 0.29 0.00 2.15 0.00 0.00 33.22 35.24 2dkp n MET 107 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2dkp h GLU 108 N 0.05 0.61 -0.55 2.12 4.11 0.56 0.39 114.58 121.88 2dkp h GLU 108 Ca -0.38 -0.11 -0.09 0.00 0.07 0.00 0.00 59.36 58.84 2dkp h GLU 108 Cb 2.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 2dkp h GLU 108 CO 0.09 0.57 -0.03 -0.07 0.07 0.00 0.00 179.01 179.64 2dkp h LEU 109 N 0.60 0.95 0.02 3.06 3.38 -1.34 -0.89 115.31 121.09 2dkp h LEU 109 Ca 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2dkp h LEU 109 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dkp h LEU 109 CO -0.00 1.02 -0.01 -0.50 0.09 0.00 0.00 178.44 179.04 2dkp h TRP 110 N 0.88 -0.03 0.38 1.13 -0.00 -1.56 -3.28 115.95 113.47 2dkp h TRP 110 Ca 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.03 2dkp h TRP 110 Cb 0.56 0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.73 2dkp h TRP 110 CO 0.04 0.67 -0.26 0.52 -0.00 0.00 0.00 178.44 179.40 2dkp h MET 111 N -0.80 -0.58 -0.71 0.49 2.86 -0.95 0.21 114.93 115.46 2dkp h MET 111 Ca -0.00 0.04 0.30 0.00 -2.06 0.00 0.00 59.70 57.97 2dkp h MET 111 Cb 0.71 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 32.38 2dkp h MET 111 CO 0.01 -0.39 0.38 1.63 1.06 0.00 0.00 176.91 179.59 2dkp n LYS 112 N -3.93 -0.04 -0.04 1.72 4.76 -0.34 -0.06 118.16 120.22 2dkp n LYS 112 Ca -0.07 0.98 -0.00 0.00 -2.87 0.00 0.00 58.31 56.34 2dkp n LYS 112 Cb 0.26 -1.75 -0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 1.41 -0.01 -0.65 7.82 0.00 -1.51 -3.23 119.26 123.10 2dkp h ALA 113 Ca 0.60 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.61 2dkp h ALA 113 Cb 1.58 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 2dkp h ALA 113 CO -0.55 -0.01 -0.38 0.52 0.00 0.00 0.00 179.25 178.83 2dkp h MET 114 N -0.92 -0.15 -0.93 0.00 2.86 0.22 0.70 114.93 116.71 2dkp h MET 114 Ca -0.00 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.88 2dkp h MET 114 Cb 0.01 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 2dkp h MET 114 CO 0.00 -0.10 0.62 -0.07 1.06 0.00 0.00 176.91 178.42 2dkp h LEU 115 N -0.16 0.33 0.04 1.22 -0.00 -0.65 1.24 115.31 117.32 2dkp h LEU 115 Ca 0.23 0.04 -0.23 0.00 -0.00 0.00 0.00 57.88 57.92 2dkp h LEU 115 Cb 0.56 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2dkp h LEU 115 CO -0.73 0.12 -1.11 -0.78 -0.00 0.00 0.00 178.44 175.94 2dkp h ASP 116 N 0.32 0.12 0.59 -0.43 1.82 0.15 -1.62 116.42 117.38 2dkp h ASP 116 Ca 0.48 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2dkp h ASP 116 Cb 1.35 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.33 2dkp h ASP 116 CO -0.16 1.10 -0.39 0.00 -1.61 0.00 0.00 179.24 178.18 2dkp n ALA 117 N -2.41 3.29 -0.13 -0.78 0.00 0.11 -3.33 120.51 117.25 2dkp n ALA 117 Ca -0.03 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 2dkp n ALA 117 Cb 0.97 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 2dkp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkp n ALA 118 N -1.48 1.26 0.23 0.00 0.00 0.39 -0.81 120.51 120.10 2dkp n ALA 118 Ca 0.06 -1.09 0.06 0.00 0.00 0.00 0.00 53.44 52.47 2dkp n ALA 118 Cb 0.34 0.04 0.53 0.00 0.00 0.00 0.00 19.45 20.36 2dkp n ALA 118 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2dkp h LEU 119 N -0.67 0.00 -6.87 0.00 8.10 -1.45 -3.40 115.31 111.02 2dkp h LEU 119 Ca -0.66 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 56.78 2dkp h LEU 119 Cb 1.71 0.00 0.06 0.00 -0.44 0.00 0.00 40.66 41.99 2dkp h LEU 119 CO -0.31 0.18 -0.19 0.55 -4.11 0.00 0.00 178.44 174.56 2dkp n VAL 120 N -4.19 0.81 -3.00 0.15 3.14 -1.21 -4.83 118.33 109.20 2dkp n VAL 120 Ca -0.02 -0.20 -0.44 0.00 -2.96 0.00 0.00 64.34 60.71 2dkp n VAL 120 Cb 0.25 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.00 2dkp n VAL 120 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2dkp s GLN 121 N -0.41 3.27 -0.27 1.45 -1.52 -1.26 -4.92 119.66 115.99 2dkp s GLN 121 Ca 0.58 -1.40 -0.25 0.00 -1.95 0.00 0.00 55.36 52.35 2dkp s GLN 121 Cb -0.83 -4.46 0.11 0.00 -0.22 0.00 0.00 33.01 27.61 2dkp s GLN 121 CO 0.43 -1.67 0.94 -0.08 -0.25 0.00 0.00 175.29 174.66 2dkp s THR 122 N 2.89 0.00 -0.22 -0.19 -1.32 -1.26 -5.15 115.64 110.39 2dkp s THR 122 Ca 0.21 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.66 2dkp s THR 122 Cb -0.15 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.95 2dkp s THR 122 CO 0.02 0.00 0.32 -0.55 -2.21 0.00 0.00 174.62 172.20 2dkp s SER 123 N 0.24 0.55 0.00 8.08 0.15 -1.26 -4.88 113.70 116.58 2dkp s SER 123 Ca 0.02 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2dkp s SER 123 Cb -0.05 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2dkp s SER 123 CO -0.04 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dkp n GLY 124 N 5.35 1.66 3.86 9.45 0.00 -1.26 -5.02 105.19 119.24 2dkp n GLY 124 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2dkp n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkp s PRO 125 N 0.07 0.33 -0.15 1.61 0.04 -1.26 -5.05 135.00 130.59 2dkp s PRO 125 Ca 0.00 -0.32 -0.07 0.00 0.04 0.00 0.00 61.00 60.65 2dkp s PRO 125 Cb 0.00 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 2dkp s PRO 125 CO 0.00 -2.63 -0.19 0.45 0.04 0.00 0.00 177.00 174.67 2dkp n SER 126 N -3.94 1.29 -4.73 6.66 2.88 -1.26 -5.00 113.62 109.52 2dkp n SER 126 Ca 0.14 0.15 -0.35 0.00 -1.33 0.00 0.00 58.87 57.48 2dkp n SER 126 Cb 0.59 -0.42 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 2dkp n SER 126 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dkp s SER 127 N -6.25 5.89 0.00 -3.46 1.04 -1.26 -5.05 113.70 104.61 2dkp s SER 127 Ca -0.21 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.48 2dkp s SER 127 Cb 0.08 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.29 2dkp s SER 127 CO 0.27 0.28 0.57 0.61 0.98 0.00 0.00 173.24 175.96