#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 -0.42 -0.04 1.61 0.01 -1.26 -5.15 113.70 108.44 2dkp s SER 2 Ca 0.00 0.80 -0.02 0.00 1.31 0.00 0.00 55.95 58.04 2dkp s SER 2 Cb 0.00 0.79 0.03 0.00 0.21 0.00 0.00 66.02 67.05 2dkp s SER 2 CO 0.00 -0.15 0.07 -0.44 0.41 0.00 0.00 173.24 173.14 2dkp s SER 3 N 0.42 0.63 -0.34 2.44 0.01 -1.26 -5.03 113.70 110.57 2dkp s SER 3 Ca -0.02 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.43 2dkp s SER 3 Cb -0.04 -0.02 0.23 0.00 0.21 0.00 0.00 66.02 66.40 2dkp s SER 3 CO -0.02 -0.20 1.20 0.61 0.41 0.00 0.00 173.24 175.24 2dkp n GLY 4 N 4.85 0.39 3.90 3.44 0.00 -1.26 -5.15 105.19 111.36 2dkp n GLY 4 Ca -0.13 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2dkp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkp s SER 5 N -0.71 5.76 -0.09 1.61 1.04 -1.26 -5.09 113.70 114.96 2dkp s SER 5 Ca 0.12 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.48 2dkp s SER 5 Cb 0.24 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.44 2dkp s SER 5 CO -0.06 -1.01 -0.10 -0.44 0.98 0.00 0.00 173.24 172.62 2dkp s SER 6 N -4.26 1.99 -0.26 7.02 0.01 -1.26 -4.95 113.70 111.98 2dkp s SER 6 Ca 0.54 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.47 2dkp s SER 6 Cb -0.11 -0.83 0.01 0.00 0.21 0.00 0.00 66.02 65.30 2dkp s SER 6 CO 0.48 -0.05 0.05 0.61 0.41 0.00 0.00 173.24 174.73 2dkp n GLY 7 N 4.45 -4.41 3.79 3.44 0.00 -1.26 -5.04 105.19 106.17 2dkp n GLY 7 Ca -0.17 0.66 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.35 2.86 -0.75 1.61 -2.85 -1.26 -5.04 119.74 112.97 2dkp s LYS 8 Ca -0.05 -0.88 -0.26 0.00 -1.00 0.00 0.00 55.97 53.78 2dkp s LYS 8 Cb 0.00 -2.63 -0.02 0.00 -2.06 0.00 0.00 37.83 33.12 2dkp s LYS 8 CO 0.73 0.49 1.84 -0.98 0.10 0.00 0.00 175.35 177.52 2dkp s ARG 9 N -3.06 2.68 -0.14 1.78 1.70 -1.26 -4.80 118.95 115.86 2dkp s ARG 9 Ca 0.31 0.14 -0.28 0.00 -0.47 0.00 0.00 55.73 55.43 2dkp s ARG 9 Cb -0.10 -4.67 -0.26 0.00 -0.57 0.00 0.00 34.95 29.35 2dkp s ARG 9 CO 0.23 -2.91 0.74 1.03 -1.08 0.00 0.00 175.30 173.31 2dkp h SER 10 N 13.03 0.05 -0.66 -2.89 0.87 -2.02 -3.35 113.55 118.58 2dkp h SER 10 Ca -0.11 -0.96 0.14 0.00 -1.23 0.00 0.00 61.79 59.64 2dkp h SER 10 Cb 1.09 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 62.92 2dkp h SER 10 CO 1.23 1.08 0.03 -1.13 -0.53 0.00 0.00 176.83 177.52 2dkp h ASN 11 N -0.93 -0.24 -4.21 6.23 -1.24 -1.99 -3.41 115.58 109.80 2dkp h ASN 11 Ca -0.04 0.16 -0.47 0.00 0.71 0.00 0.00 56.30 56.66 2dkp h ASN 11 Cb 1.10 0.27 0.08 0.00 0.73 0.00 0.00 38.32 40.50 2dkp h ASN 11 CO 0.00 -0.11 0.32 -0.44 -1.29 0.00 0.00 177.43 175.91 2dkp s SER 12 N -5.23 4.85 0.04 1.15 0.01 -1.26 -5.09 113.70 108.18 2dkp s SER 12 Ca -0.13 0.71 0.08 0.00 1.31 0.00 0.00 55.95 57.92 2dkp s SER 12 Cb 0.20 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2dkp s SER 12 CO 0.74 -1.64 -0.22 -0.63 0.41 0.00 0.00 173.24 171.91 2dkp s ILE 13 N -3.37 2.48 -0.02 1.44 1.01 -1.26 -4.94 121.20 116.53 2dkp s ILE 13 Ca 0.60 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2dkp s ILE 13 Cb -0.11 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 2dkp s ILE 13 CO 0.48 0.36 -0.14 -0.75 0.00 0.00 0.00 174.94 174.89 2dkp s LYS 14 N -1.31 1.31 0.68 2.79 2.36 -1.26 -5.03 119.74 119.28 2dkp s LYS 14 Ca 0.13 -0.50 -0.13 0.00 -2.55 0.00 0.00 55.97 52.92 2dkp s LYS 14 Cb -0.10 -1.21 0.01 0.00 -1.05 0.00 0.00 37.83 35.48 2dkp s LYS 14 CO 0.03 0.25 1.08 0.50 1.55 0.00 0.00 175.35 178.76 2dkp s ARG 15 N -0.10 2.81 -0.02 4.03 3.52 -1.26 -5.06 118.95 122.87 2dkp s ARG 15 Ca 0.01 1.20 0.05 0.00 -0.13 0.00 0.00 55.73 56.86 2dkp s ARG 15 Cb -0.08 -1.96 -0.01 0.00 -1.56 0.00 0.00 34.95 31.33 2dkp s ARG 15 CO 0.00 -1.22 -0.18 1.21 -0.81 0.00 0.00 175.30 174.31 2dkp s ASN 16 N -3.08 2.12 -0.08 -2.12 2.47 -1.26 -5.06 114.94 107.93 2dkp s ASN 16 Ca 0.63 -0.33 -0.26 0.00 0.42 0.00 0.00 52.86 53.32 2dkp s ASN 16 Cb -0.17 -0.28 -0.25 0.00 -1.45 0.00 0.00 41.25 39.10 2dkp s ASN 16 CO 0.47 0.21 0.95 1.55 -3.72 0.00 0.00 177.10 176.56 2dkp h PRO 17 N 5.77 0.11 -0.47 0.43 0.13 -2.04 -3.33 132.00 132.59 2dkp h PRO 17 Ca -0.37 -0.13 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 2dkp h PRO 17 Cb 1.15 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2dkp h PRO 17 CO 0.48 0.94 -0.03 -0.91 -0.23 0.00 0.00 178.00 178.25 2dkp h ASN 18 N -0.66 -0.26 -0.22 1.44 4.21 -2.05 -3.41 115.58 114.63 2dkp h ASN 18 Ca -0.03 0.12 -0.56 0.00 1.21 0.00 0.00 56.30 57.04 2dkp h ASN 18 Cb 1.02 0.22 -0.07 0.00 -1.12 0.00 0.00 38.32 38.37 2dkp h ASN 18 CO 0.04 -0.09 1.64 0.00 -1.29 0.00 0.00 177.43 177.73 2dkp n ALA 19 N -2.68 0.37 -1.37 -0.83 0.00 -1.25 -4.70 120.51 110.05 2dkp n ALA 19 Ca 0.04 -0.24 -0.54 0.00 0.00 0.00 0.00 53.44 52.71 2dkp n ALA 19 Cb 0.25 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 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 8.33 0.59 -1.88 0.00 -0.02 -1.26 -4.71 135.00 136.05 2dkp n PRO 20 Ca 0.60 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 2dkp n PRO 20 Cb 0.08 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 7.00 2.94 -0.01 -1.45 1.01 -1.26 -4.58 120.40 124.05 2dkp s VAL 21 Ca 1.15 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.30 2dkp s VAL 21 Cb -1.12 -3.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 2dkp s VAL 21 CO 0.55 -0.00 0.99 0.58 0.00 0.00 0.00 175.10 177.22 2dkp h VAL 22 N 4.80 0.25 -1.66 2.92 2.07 -1.01 -3.48 116.25 120.15 2dkp h VAL 22 Ca -0.43 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 66.64 2dkp h VAL 22 Cb 1.20 0.37 -0.25 0.00 -1.52 0.00 0.00 31.29 31.09 2dkp h VAL 22 CO 0.93 0.05 0.33 -0.60 0.02 0.00 0.00 177.57 178.30 2dkp s ARG 23 N -4.21 0.49 -0.12 1.57 3.52 -1.19 -5.02 118.95 114.00 2dkp s ARG 23 Ca -0.12 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.24 2dkp s ARG 23 Cb 0.01 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2dkp s ARG 23 CO 0.41 -0.09 -0.13 -0.98 -0.81 0.00 0.00 175.30 173.70 2dkp s ARG 24 N 1.03 2.10 0.08 5.12 1.70 -1.26 -1.04 118.95 126.68 2dkp s ARG 24 Ca -0.05 -0.50 -0.20 0.00 -0.47 0.00 0.00 55.73 54.51 2dkp s ARG 24 Cb -0.04 -1.89 0.05 0.00 -0.57 0.00 0.00 34.95 32.49 2dkp s ARG 24 CO -0.13 -0.16 0.48 0.20 -1.08 0.00 0.00 175.30 174.61 2dkp s GLY 25 N 1.29 -0.38 -0.51 3.88 0.00 -1.09 -5.00 107.32 105.51 2dkp s GLY 25 Ca -0.01 0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.80 2dkp s GLY 25 CO -0.06 0.07 2.13 -0.98 0.00 0.00 0.00 173.10 174.25 2dkp s TRP 26 N -2.99 1.38 0.12 1.90 0.52 -1.26 -2.93 118.94 115.67 2dkp s TRP 26 Ca -0.02 1.11 0.04 0.00 0.02 0.00 0.00 56.10 57.25 2dkp s TRP 26 Cb -0.00 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 2dkp s TRP 26 CO -0.06 -2.59 0.11 -1.17 0.02 0.00 0.00 176.95 173.26 2dkp s LEU 27 N 10.24 3.80 -0.10 2.99 2.96 -0.33 -4.86 118.68 133.37 2dkp s LEU 27 Ca 0.84 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 54.55 2dkp s LEU 27 Cb -0.17 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 2dkp s LEU 27 CO 0.25 0.12 0.29 -0.31 -1.32 0.00 0.00 176.35 175.39 2dkp s TYR 28 N -1.57 3.57 0.03 5.38 2.02 -1.26 -2.18 117.35 123.35 2dkp s TYR 28 Ca 0.30 0.70 0.04 0.00 -0.37 0.00 0.00 57.07 57.74 2dkp s TYR 28 Cb -0.11 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 2dkp s TYR 28 CO 0.23 0.47 -0.12 0.21 -1.57 0.00 0.00 175.55 174.76 2dkp s LYS 29 N -0.31 0.81 -0.29 -0.62 2.20 -1.17 -3.77 119.74 116.59 2dkp s LYS 29 Ca 0.18 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 2dkp s LYS 29 Cb -0.14 -0.77 0.01 0.00 -1.51 0.00 0.00 37.83 35.42 2dkp s LYS 29 CO 0.07 0.19 1.16 -1.14 -0.36 0.00 0.00 175.35 175.27 2dkp s GLN 30 N -1.09 4.05 0.52 4.03 0.74 -1.07 -3.50 119.66 123.33 2dkp s GLN 30 Ca -0.00 1.20 -0.22 0.00 0.05 0.00 0.00 55.36 56.39 2dkp s GLN 30 Cb -0.08 -3.78 -0.06 0.00 1.10 0.00 0.00 33.01 30.19 2dkp s GLN 30 CO 0.01 -0.94 1.23 -0.25 -0.55 0.00 0.00 175.29 174.80 2dkp n ASP 31 N 7.05 2.16 -2.23 6.67 9.92 -1.21 -4.84 116.55 134.07 2dkp n ASP 31 Ca 0.13 0.97 -0.29 0.00 -0.53 0.00 0.00 54.79 55.07 2dkp n ASP 31 Cb 0.47 -1.51 0.04 0.00 -0.64 0.00 0.00 41.12 39.48 2dkp n ASP 31 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dkp n SER 32 N -0.60 6.03 -2.27 -2.24 7.64 -1.26 -4.34 113.62 116.57 2dkp n SER 32 Ca 0.10 -3.77 -0.22 0.00 1.01 0.00 0.00 58.87 56.00 2dkp n SER 32 Cb 0.44 -0.62 0.02 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.75 2.28 0.00 0.44 -2.24 -1.26 -4.97 114.28 107.78 2dkp n THR 33 Ca 0.51 -4.27 0.00 0.00 -2.27 0.00 0.00 64.05 58.02 2dkp n THR 33 Cb 0.79 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.59 2.52 3.67 3.38 0.00 -1.26 -4.97 105.19 107.93 2dkp n GLY 34 Ca 0.37 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2dkp n GLY 34 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dkp s MET 35 N 0.00 4.24 -1.10 1.61 0.00 -1.26 -5.01 119.30 117.78 2dkp s MET 35 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 55.69 56.19 2dkp s MET 35 Cb 0.00 -3.55 0.26 0.00 0.00 0.00 0.00 34.83 31.54 2dkp s MET 35 CO 0.00 -0.17 1.12 0.15 0.00 0.00 0.00 175.02 176.13 2dkp s LYS 36 N 1.66 4.16 0.38 3.16 3.01 -1.26 -4.27 119.74 126.58 2dkp s LYS 36 Ca 0.29 -3.12 0.08 0.00 -1.01 0.00 0.00 55.97 52.21 2dkp s LYS 36 Cb -0.16 -4.60 -0.04 0.00 -1.01 0.00 0.00 37.83 32.03 2dkp s LYS 36 CO 0.11 -1.29 0.22 -0.51 0.51 0.00 0.00 175.35 174.38 2dkp s LEU 37 N -0.91 3.26 -0.76 3.17 1.43 -1.26 -4.88 118.68 118.71 2dkp s LEU 37 Ca 0.31 -0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 2dkp s LEU 37 Cb -0.09 -1.73 0.17 0.00 0.03 0.00 0.00 46.19 44.56 2dkp s LEU 37 CO -0.07 -0.47 0.79 0.26 0.23 0.00 0.00 176.35 177.08 2dkp s TRP 38 N -2.49 3.43 0.12 0.29 0.52 -1.26 -3.34 118.94 116.21 2dkp s TRP 38 Ca 0.42 -1.59 -0.04 0.00 0.02 0.00 0.00 56.10 54.90 2dkp s TRP 38 Cb -0.01 -3.94 -0.05 0.00 -1.15 0.00 0.00 33.47 28.32 2dkp s TRP 38 CO 0.24 -1.14 0.34 0.15 0.02 0.00 0.00 176.95 176.56 2dkp s LYS 39 N 1.30 3.58 -0.21 4.98 -0.14 -1.23 -4.93 119.74 123.10 2dkp s LYS 39 Ca 0.17 -0.16 -0.25 0.00 -1.36 0.00 0.00 55.97 54.38 2dkp s LYS 39 Cb -0.15 -2.89 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2dkp s LYS 39 CO -0.05 0.50 0.82 0.21 -0.76 0.00 0.00 175.35 176.07 2dkp s LYS 40 N -2.62 4.23 0.06 1.68 2.47 -1.26 -3.02 119.74 121.28 2dkp s LYS 40 Ca 0.40 0.95 0.01 0.00 -1.56 0.00 0.00 55.97 55.77 2dkp s LYS 40 Cb -0.12 -3.61 -0.03 0.00 -1.46 0.00 0.00 37.83 32.60 2dkp s LYS 40 CO 0.25 -0.42 -0.06 1.03 0.16 0.00 0.00 175.35 176.31 2dkp s ARG 41 N 2.49 0.63 -0.19 4.03 1.81 -0.93 -5.03 118.95 121.76 2dkp s ARG 41 Ca 0.36 -1.02 -0.23 0.00 -1.72 0.00 0.00 55.73 53.11 2dkp s ARG 41 Cb -0.16 -0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.18 2dkp s ARG 41 CO 0.10 -0.01 0.74 -0.46 -0.68 0.00 0.00 175.30 174.99 2dkp s TRP 42 N -2.58 3.38 0.33 -0.53 -0.00 -1.26 -1.19 118.94 117.09 2dkp s TRP 42 Ca -0.00 1.09 0.10 0.00 -0.00 0.00 0.00 56.10 57.28 2dkp s TRP 42 Cb -0.02 -2.93 -0.06 0.00 -0.00 0.00 0.00 33.47 30.47 2dkp s TRP 42 CO -0.03 -0.24 -0.11 -0.06 -0.00 0.00 0.00 176.95 176.51 2dkp s PHE 43 N 2.17 2.39 -0.20 5.86 0.40 -1.15 -2.80 117.98 124.64 2dkp s PHE 43 Ca 0.33 -0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 2dkp s PHE 43 Cb -0.16 -1.31 0.08 0.00 0.51 0.00 0.00 43.02 42.14 2dkp s PHE 43 CO 0.11 0.61 0.46 0.08 0.70 0.00 0.00 175.22 177.17 2dkp s VAL 44 N -2.59 -0.32 -0.62 -0.44 1.01 0.39 -2.67 120.40 115.16 2dkp s VAL 44 Ca 0.32 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 2dkp s VAL 44 Cb 0.01 -0.69 0.13 0.00 0.00 0.00 0.00 36.38 35.82 2dkp s VAL 44 CO 0.16 0.04 0.67 -0.22 0.00 0.00 0.00 175.10 175.76 2dkp s LEU 45 N 1.98 5.82 0.10 3.92 1.98 -0.20 -2.31 118.68 129.97 2dkp s LEU 45 Ca -0.06 -1.76 0.03 0.00 -2.89 0.00 0.00 54.13 49.45 2dkp s LEU 45 Cb -0.10 -2.26 -0.04 0.00 0.66 0.00 0.00 46.19 44.45 2dkp s LEU 45 CO -0.14 -0.96 -0.09 -0.55 -1.89 0.00 0.00 176.35 172.73 2dkp s SER 46 N 3.43 1.30 -1.81 3.68 0.15 -1.04 -0.33 113.70 119.08 2dkp s SER 46 Ca 0.11 -0.86 -0.23 0.00 0.70 0.00 0.00 55.95 55.67 2dkp s SER 46 Cb -0.23 0.04 0.22 0.00 -1.71 0.00 0.00 66.02 64.34 2dkp s SER 46 CO 0.02 -0.33 0.62 -0.67 1.20 0.00 0.00 173.24 174.08 2dkp n ASP 47 N 0.40 -2.07 -3.98 5.45 -0.08 -1.26 0.98 116.55 116.00 2dkp n ASP 47 Ca -0.15 -1.16 -0.30 0.00 -1.51 0.00 0.00 54.79 51.67 2dkp n ASP 47 Cb 0.59 -1.78 0.00 0.00 2.34 0.00 0.00 41.12 42.27 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 -4.07 -2.34 -3.97 -2.67 7.99 -1.26 -4.96 117.00 105.72 2dkp n LEU 48 Ca 0.11 -0.89 -0.09 0.00 -0.01 0.00 0.00 56.01 55.13 2dkp n LEU 48 Cb 0.46 -2.38 -0.08 0.00 -0.11 0.00 0.00 43.42 41.31 2dkp n LEU 48 CO 0.93 0.41 -0.10 0.00 -1.51 0.00 0.00 177.39 177.11 2dkp s LEU 50 N -2.95 4.14 -0.05 0.00 1.43 -0.42 -2.49 118.68 118.34 2dkp s LEU 50 Ca 0.14 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2dkp s LEU 50 Cb 0.05 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2dkp s LEU 50 CO -0.03 0.27 0.11 -0.36 0.23 0.00 0.00 176.35 176.57 2dkp s PHE 51 N -0.22 -0.10 0.15 0.29 0.08 -0.98 -1.59 117.98 115.62 2dkp s PHE 51 Ca 0.10 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.56 2dkp s PHE 51 Cb -0.12 -0.12 -0.04 0.00 -0.57 0.00 0.00 43.02 42.17 2dkp s PHE 51 CO 0.01 -0.13 -0.12 1.52 -0.10 0.00 0.00 175.22 176.39 2dkp s TYR 52 N 1.05 1.37 0.35 0.36 -0.85 -1.25 -0.46 117.35 117.93 2dkp s TYR 52 Ca -0.08 -0.66 0.07 0.00 -0.52 0.00 0.00 57.07 55.88 2dkp s TYR 52 Cb -0.11 -0.69 -0.03 0.00 0.38 0.00 0.00 41.96 41.51 2dkp s TYR 52 CO -0.05 0.15 0.26 0.71 -1.52 0.00 0.00 175.55 175.10 2dkp s TYR 53 N -2.87 1.77 0.16 -3.49 1.51 -1.12 -3.08 117.35 110.23 2dkp s TYR 53 Ca 0.15 -1.61 -0.16 0.00 -1.01 0.00 0.00 57.07 54.44 2dkp s TYR 53 Cb -0.01 -0.79 0.07 0.00 -0.11 0.00 0.00 41.96 41.12 2dkp s TYR 53 CO 0.02 -0.79 1.76 0.00 -1.11 0.00 0.00 175.55 175.44 2dkp h ARG 54 N 2.07 0.31 0.00 -0.62 3.08 -1.83 -3.38 114.38 114.01 2dkp h ARG 54 Ca -0.26 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.63 2dkp h ARG 54 Cb 1.24 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2dkp h ARG 54 CO 0.39 0.21 0.04 -0.25 -1.07 0.00 0.00 179.97 179.29 2dkp n ASP 55 N -4.99 -1.52 -0.30 7.04 8.00 -1.26 -4.77 116.55 118.76 2dkp n ASP 55 Ca 0.02 -2.48 0.27 0.00 0.71 0.00 0.00 54.79 53.31 2dkp n ASP 55 Cb 0.12 2.65 0.61 0.00 -0.02 0.00 0.00 41.12 44.49 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 0.21 -1.13 -1.24 4.11 -1.96 0.24 114.58 114.82 2dkp h GLU 56 Ca -0.25 -0.01 0.32 0.00 0.07 0.00 0.00 59.36 59.49 2dkp h GLU 56 Cb 1.02 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2dkp h GLU 56 CO 0.33 0.14 0.81 0.87 0.07 0.00 0.00 179.01 181.23 2dkp h LYS 57 N 0.22 0.03 -5.58 1.06 1.79 -1.98 -3.45 116.57 108.66 2dkp h LYS 57 Ca 0.56 -0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.68 2dkp h LYS 57 Cb 1.75 -0.01 0.15 0.00 -1.58 0.00 0.00 32.23 32.54 2dkp h LYS 57 CO -0.16 0.02 -0.71 0.39 -1.08 0.00 0.00 179.45 177.91 2dkp n GLU 58 N -4.23 -6.93 -2.97 3.15 1.02 0.85 -4.93 120.64 106.59 2dkp n GLU 58 Ca 0.24 0.81 -0.44 0.00 -0.02 0.00 0.00 57.16 57.75 2dkp n GLU 58 Cb 1.17 -5.75 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 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 -5.70 3.35 0.17 3.49 2.02 -1.26 -4.83 118.70 115.94 2dkp s GLU 59 Ca 0.23 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.75 2dkp s GLU 59 Cb -0.10 -4.56 0.00 0.00 0.10 0.00 0.00 34.13 29.57 2dkp s GLU 59 CO 0.70 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 174.69 2dkp n GLY 60 N 5.30 -4.13 3.71 -1.39 0.00 -1.26 -4.65 105.19 102.76 2dkp n GLY 60 Ca 0.09 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.43 4.80 0.10 -0.61 1.01 -1.26 -4.38 121.20 119.43 2dkp s ILE 61 Ca 0.00 2.02 0.05 0.00 0.00 0.00 0.00 60.65 62.71 2dkp s ILE 61 Cb 0.00 -4.29 -0.23 0.00 0.01 0.00 0.00 42.46 37.95 2dkp s ILE 61 CO 0.00 0.13 1.21 -0.07 0.00 0.00 0.00 174.94 176.21 2dkp h LEU 62 N 7.03 0.09 -7.00 2.97 3.38 -1.89 -3.47 115.31 116.41 2dkp h LEU 62 Ca -0.39 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 57.61 2dkp h LEU 62 Cb 1.21 -0.03 -0.30 0.00 0.09 0.00 0.00 40.66 41.63 2dkp h LEU 62 CO 0.77 1.08 0.68 -0.83 0.09 0.00 0.00 178.44 180.23 2dkp s GLY 63 N -4.72 0.15 0.18 0.83 0.00 -1.26 -5.12 107.32 97.37 2dkp s GLY 63 Ca -0.00 3.19 0.04 0.00 0.00 0.00 0.00 44.72 47.95 2dkp s GLY 63 CO 0.83 1.96 0.21 -1.35 0.00 0.00 0.00 173.10 174.75 2dkp s SER 64 N 0.21 5.84 -0.02 1.64 1.04 -1.26 -3.79 113.70 117.36 2dkp s SER 64 Ca 0.04 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.45 2dkp s SER 64 Cb -0.05 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.46 2dkp s SER 64 CO -0.12 0.04 -0.04 -0.63 0.98 0.00 0.00 173.24 173.47 2dkp s ILE 65 N -1.81 0.42 -0.42 -1.02 1.01 -0.62 -5.03 121.20 113.73 2dkp s ILE 65 Ca 0.33 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 2dkp s ILE 65 Cb -0.10 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 41.97 2dkp s ILE 65 CO 0.26 0.16 0.60 -0.76 0.00 0.00 0.00 174.94 175.20 2dkp s LEU 66 N 0.41 4.49 0.09 2.97 2.01 -1.26 -1.30 118.68 126.09 2dkp s LEU 66 Ca -0.05 -0.28 -0.15 0.00 0.01 0.00 0.00 54.13 53.67 2dkp s LEU 66 Cb -0.08 -2.68 -0.11 0.00 0.01 0.00 0.00 46.19 43.33 2dkp s LEU 66 CO -0.00 -0.70 1.37 -0.07 1.01 0.00 0.00 176.35 177.96 2dkp h LEU 67 N 9.51 0.79 -1.56 1.79 3.38 -1.83 -3.09 115.31 124.30 2dkp h LEU 67 Ca -0.26 -0.53 0.16 0.00 0.09 0.00 0.00 57.88 57.34 2dkp h LEU 67 Cb 1.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2dkp h LEU 67 CO 0.86 1.16 0.72 -0.65 0.09 0.00 0.00 178.44 180.62 2dkp h PRO 68 N 0.44 0.00 0.00 1.13 0.11 -1.40 0.98 132.00 133.26 2dkp h PRO 68 Ca 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2dkp h PRO 68 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2dkp h PRO 68 CO 0.09 0.00 -1.55 0.43 -0.21 0.00 0.00 178.00 176.76 2dkp n SER 69 N -3.38 0.43 -4.84 -2.05 7.64 -1.17 -4.69 113.62 105.56 2dkp n SER 69 Ca 0.11 0.17 -0.33 0.00 1.01 0.00 0.00 58.87 59.83 2dkp n SER 69 Cb 0.91 1.15 -0.06 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 -3.36 3.40 -0.34 1.43 0.08 0.34 -4.23 117.98 115.30 2dkp s PHE 70 Ca -0.05 1.32 -0.05 0.00 0.12 0.00 0.00 56.93 58.27 2dkp s PHE 70 Cb 0.11 -2.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.00 2dkp s PHE 70 CO 0.85 0.08 0.09 -1.14 -0.10 0.00 0.00 175.22 175.00 2dkp s GLN 71 N -2.90 2.53 -0.46 0.44 0.74 0.15 -4.76 119.66 115.41 2dkp s GLN 71 Ca 0.54 -1.26 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 2dkp s GLN 71 Cb -0.11 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.61 2dkp s GLN 71 CO 0.17 -0.70 1.13 0.42 -0.55 0.00 0.00 175.29 175.76 2dkp s ILE 72 N 1.35 4.24 -0.12 -2.34 -1.09 -1.26 -1.98 121.20 120.00 2dkp s ILE 72 Ca -0.02 1.29 -0.09 0.00 -2.23 0.00 0.00 60.65 59.60 2dkp s ILE 72 Cb -0.20 -4.58 0.04 0.00 -1.58 0.00 0.00 42.46 36.13 2dkp s ILE 72 CO 0.01 -0.95 0.30 0.00 -1.23 0.00 0.00 174.94 173.08 2dkp s ALA 73 N 4.37 -0.75 0.24 9.38 0.00 -1.00 -5.04 121.76 128.96 2dkp s ALA 73 Ca 0.48 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 2dkp s ALA 73 Cb -0.08 -0.58 -0.15 0.00 0.00 0.00 0.00 23.12 22.31 2dkp s ALA 73 CO 0.30 -0.17 0.89 1.28 0.00 0.00 0.00 175.76 178.06 2dkp n LEU 74 N 3.39 0.85 -4.14 0.00 7.99 -1.26 -3.03 117.00 120.80 2dkp n LEU 74 Ca -0.17 1.16 -0.37 0.00 -0.01 0.00 0.00 56.01 56.61 2dkp n LEU 74 Cb 0.56 -1.17 0.03 0.00 -0.11 0.00 0.00 43.42 42.73 2dkp n LEU 74 CO 0.15 -1.85 -0.94 0.18 -1.51 0.00 0.00 177.39 173.41 2dkp n LEU 75 N 1.56 -4.61 0.00 2.23 4.77 -1.26 -4.81 117.00 114.87 2dkp n LEU 75 Ca 0.13 0.43 0.01 0.00 -0.03 0.00 0.00 56.01 56.55 2dkp n LEU 75 Cb 0.28 -0.82 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 2dkp n LEU 75 CO 0.59 -5.32 0.63 1.07 -1.33 0.00 0.00 177.39 173.03 2dkp n THR 76 N -2.00 0.00 -2.84 -5.08 5.66 -1.26 -5.02 114.28 103.74 2dkp n THR 76 Ca 0.03 -0.14 -0.10 0.00 -3.05 0.00 0.00 64.05 60.79 2dkp n THR 76 Cb 0.51 0.37 0.05 0.00 -1.55 0.00 0.00 70.33 69.71 2dkp n THR 76 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dkp n SER 77 N -0.77 -2.12 -2.28 1.09 2.88 -1.26 -2.76 113.62 108.41 2dkp n SER 77 Ca 0.02 -0.37 -0.07 0.00 -1.33 0.00 0.00 58.87 57.12 2dkp n SER 77 Cb 0.35 -3.26 -0.01 0.00 -0.75 0.00 0.00 64.21 60.54 2dkp n SER 77 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2dkp n GLU 78 N -2.85 -2.37 -1.04 -1.46 0.28 -1.26 -4.72 120.64 107.22 2dkp n GLU 78 Ca -0.17 0.33 -0.41 0.00 -0.16 0.00 0.00 57.16 56.76 2dkp n GLU 78 Cb 0.60 -4.82 -0.06 0.00 1.43 0.00 0.00 31.44 28.60 2dkp n GLU 78 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2dkp n ASP 79 N -1.38 0.14 -1.57 -1.84 5.68 -1.11 -4.73 116.55 111.75 2dkp n ASP 79 Ca -0.08 0.78 -0.04 0.00 -0.50 0.00 0.00 54.79 54.95 2dkp n ASP 79 Cb 0.51 -0.61 0.01 0.00 -1.14 0.00 0.00 41.12 39.89 2dkp n ASP 79 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2dkp n HIS 80 N 1.32 0.38 -4.05 2.11 8.25 -1.26 -4.75 115.22 117.22 2dkp n HIS 80 Ca 0.15 -1.20 -0.32 0.00 -0.26 0.00 0.00 57.72 56.09 2dkp n HIS 80 Cb 0.04 -0.59 -0.15 0.00 1.12 0.00 0.00 29.99 30.40 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 -0.56 2.04 -0.15 1.59 1.01 -1.26 -4.99 121.20 118.88 2dkp s ILE 81 Ca 0.08 -1.52 -0.00 0.00 0.00 0.00 0.00 60.65 59.20 2dkp s ILE 81 Cb 0.06 -2.16 0.11 0.00 0.01 0.00 0.00 42.46 40.47 2dkp s ILE 81 CO -0.00 -0.02 1.94 0.59 0.00 0.00 0.00 174.94 177.45 2dkp n ASN 82 N 4.49 5.66 -4.55 3.58 3.02 -1.26 -4.89 115.26 121.31 2dkp n ASN 82 Ca -0.14 -2.69 -0.24 0.00 -0.03 0.00 0.00 54.58 51.48 2dkp n ASN 82 Cb 0.43 -1.05 0.12 0.00 -0.61 0.00 0.00 39.78 38.67 2dkp n ASN 82 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dkp n ARG 83 N 0.88 -0.17 -4.16 3.52 5.12 -1.26 -5.13 116.66 115.46 2dkp n ARG 83 Ca 0.14 -2.72 -0.10 0.00 -1.93 0.00 0.00 57.85 53.24 2dkp n ARG 83 Cb 0.56 -0.70 -0.10 0.00 -1.16 0.00 0.00 32.46 31.05 2dkp n ARG 83 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2dkp s LYS 84 N -5.17 0.83 -1.66 5.56 -0.14 -1.26 -4.86 119.74 113.04 2dkp s LYS 84 Ca 0.67 -1.35 -0.09 0.00 -1.36 0.00 0.00 55.97 53.85 2dkp s LYS 84 Cb -0.04 -0.06 0.09 0.00 -1.68 0.00 0.00 37.83 36.14 2dkp s LYS 84 CO 0.45 -0.09 0.22 0.66 -0.76 0.00 0.00 175.35 175.83 2dkp n TYR 85 N -0.04 -1.21 -4.38 3.18 4.02 -1.26 -4.52 117.16 112.95 2dkp n TYR 85 Ca -0.11 0.63 -0.19 0.00 -0.01 0.00 0.00 57.90 58.22 2dkp n TYR 85 Cb 0.62 -2.44 -0.10 0.00 -0.02 0.00 0.00 39.34 37.40 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 -3.96 2.13 0.32 -0.72 0.00 -1.26 -3.17 121.76 115.10 2dkp s ALA 86 Ca 0.31 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.55 2dkp s ALA 86 Cb -0.18 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2dkp s ALA 86 CO 1.00 -0.04 0.24 1.97 0.00 0.00 0.00 175.76 178.93 2dkp n PHE 87 N -0.47 -0.56 -3.95 0.00 -1.74 0.29 -4.23 117.46 106.80 2dkp n PHE 87 Ca -0.07 -2.57 -0.10 0.00 -0.56 0.00 0.00 57.45 54.16 2dkp n PHE 87 Cb 0.62 0.21 -0.11 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 -3.29 0.33 -0.19 3.97 -2.85 -1.17 -1.21 119.74 115.32 2dkp s LYS 88 Ca 0.33 -0.52 0.01 0.00 -1.00 0.00 0.00 55.97 54.79 2dkp s LYS 88 Cb 0.02 0.12 0.03 0.00 -2.06 0.00 0.00 37.83 35.93 2dkp s LYS 88 CO 0.24 -0.06 -0.18 0.00 0.10 0.00 0.00 175.35 175.44 2dkp s ALA 89 N -1.34 2.35 0.01 0.59 0.00 0.79 -2.38 121.76 121.77 2dkp s ALA 89 Ca -0.15 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.35 2dkp s ALA 89 Cb -0.09 -1.24 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 2dkp s ALA 89 CO -0.00 -0.49 0.47 0.00 0.00 0.00 0.00 175.76 175.74 2dkp s ALA 90 N 1.27 3.63 -0.01 0.00 0.00 -0.84 0.04 121.76 125.85 2dkp s ALA 90 Ca 0.03 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2dkp s ALA 90 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2dkp s ALA 90 CO -0.12 0.38 -0.21 -1.58 0.00 0.00 0.00 175.76 174.24 2dkp s HIS 91 N -0.83 1.87 0.00 0.00 2.46 -1.19 0.35 115.29 117.94 2dkp s HIS 91 Ca 0.26 -0.35 -0.21 0.00 0.47 0.00 0.00 55.06 55.22 2dkp s HIS 91 Cb -0.17 -1.20 -0.21 0.00 -0.13 0.00 0.00 32.58 30.87 2dkp s HIS 91 CO 0.15 -0.02 1.15 -1.00 -2.47 0.00 0.00 174.74 172.55 2dkp h PRO 92 N 5.57 0.35 -0.60 2.88 0.13 -1.90 -3.25 132.00 135.17 2dkp h PRO 92 Ca -0.40 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2dkp h PRO 92 Cb 1.14 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dkp h PRO 92 CO 0.48 0.97 0.00 0.09 -0.23 0.00 0.00 178.00 179.30 2dkp n ASN 93 N -4.38 3.48 -2.09 1.44 3.02 -1.26 -4.94 115.26 110.53 2dkp n ASN 93 Ca -0.09 -2.16 -0.08 0.00 -0.03 0.00 0.00 54.58 52.22 2dkp n ASN 93 Cb 0.55 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.04 0.39 -1.42 3.52 2.81 -1.23 -5.18 117.12 117.07 2dkp n MET 94 Ca 0.20 -1.52 -0.14 0.00 -1.81 0.00 0.00 57.70 54.43 2dkp n MET 94 Cb 0.60 1.48 0.09 0.00 -0.71 0.00 0.00 33.22 34.68 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 -0.32 -0.21 -3.31 0.03 1.85 -1.26 -4.26 116.66 109.18 2dkp n ARG 95 Ca 0.00 -1.35 -0.40 0.00 -1.00 0.00 0.00 57.85 55.10 2dkp n ARG 95 Cb 0.32 -0.55 -0.08 0.00 -1.05 0.00 0.00 32.46 31.10 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 -2.07 5.12 0.36 8.89 2.01 -1.26 -3.19 115.64 125.50 2dkp s THR 96 Ca 0.39 0.71 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 2dkp s THR 96 Cb -0.02 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2dkp s THR 96 CO 0.27 0.12 0.65 -0.31 -0.69 0.00 0.00 174.62 174.66 2dkp s TYR 97 N 2.19 3.49 -0.03 4.92 1.51 0.11 -4.90 117.35 124.64 2dkp s TYR 97 Ca 0.18 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 57.03 2dkp s TYR 97 Cb -0.16 -2.21 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 2dkp s TYR 97 CO 0.10 0.01 -0.13 0.71 -1.11 0.00 0.00 175.55 175.13 2dkp s TYR 98 N -2.30 1.31 0.04 2.71 1.51 -1.26 -0.15 117.35 119.21 2dkp s TYR 98 Ca 0.46 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2dkp s TYR 98 Cb -0.10 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 2dkp s TYR 98 CO 0.33 -0.12 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.53 2dkp s PHE 99 N 0.08 0.58 0.10 2.71 0.40 -0.35 -2.61 117.98 118.89 2dkp s PHE 99 Ca -0.03 -0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 55.63 2dkp s PHE 99 Cb -0.10 -0.36 -0.01 0.00 0.51 0.00 0.00 43.02 43.06 2dkp s PHE 99 CO 0.01 -0.14 0.17 0.00 0.70 0.00 0.00 175.22 175.96 2dkp n THR 101 N -0.07 0.00 -0.04 0.00 -2.24 -1.19 -4.12 114.28 106.63 2dkp n THR 101 Ca -0.13 -1.66 -0.21 0.00 -2.27 0.00 0.00 64.05 59.78 2dkp n THR 101 Cb 0.62 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 2dkp n THR 101 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dkp h ASP 102 N 1.11 0.24 -4.36 3.42 3.32 -1.92 -3.47 116.42 114.76 2dkp h ASP 102 Ca -0.23 -0.76 -0.41 0.00 0.02 0.00 0.00 57.03 55.66 2dkp h ASP 102 Cb 0.85 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.22 2dkp h ASP 102 CO 0.36 1.62 -0.38 0.35 -1.72 0.00 0.00 179.24 179.47 2dkp n THR 103 N -4.02 0.00 0.10 0.35 -2.24 -1.26 -5.02 114.28 102.19 2dkp n THR 103 Ca -0.29 -1.98 -0.13 0.00 -2.27 0.00 0.00 64.05 59.39 2dkp n THR 103 Cb 0.84 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 69.92 2dkp n THR 103 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dkp h GLY 104 N 1.58 -0.18 -0.23 3.38 0.00 -1.95 -2.77 103.07 102.90 2dkp h GLY 104 Ca -0.21 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.28 2dkp h GLY 104 CO 0.31 -0.08 -0.35 1.70 0.00 0.00 0.00 176.54 178.12 2dkp h LYS 105 N -0.18 -0.25 -0.12 4.80 1.63 -1.98 0.77 116.57 121.23 2dkp h LYS 105 Ca -0.01 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2dkp h LYS 105 Cb 0.16 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2dkp h LYS 105 CO 0.01 -0.17 0.25 0.93 -3.45 0.00 0.00 179.45 177.02 2dkp h GLU 106 N -0.26 0.00 0.11 1.90 4.39 -1.95 0.15 114.58 118.91 2dkp h GLU 106 Ca 0.17 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.53 2dkp h GLU 106 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2dkp h GLU 106 CO -0.56 0.00 -1.86 1.98 -1.16 0.00 0.00 179.01 177.41 2dkp h MET 107 N 0.00 0.23 -0.29 2.33 4.05 0.55 -3.22 114.93 118.57 2dkp h MET 107 Ca 0.06 -0.39 -0.16 0.00 -0.28 0.00 0.00 59.70 58.93 2dkp h MET 107 Cb 0.56 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2dkp h MET 107 CO -0.00 1.07 -0.45 1.05 0.23 0.00 0.00 176.91 178.81 2dkp h GLU 108 N 0.06 0.74 -0.31 0.39 4.11 0.17 0.18 114.58 119.92 2dkp h GLU 108 Ca -0.37 -0.41 -0.11 0.00 0.07 0.00 0.00 59.36 58.53 2dkp h GLU 108 Cb 2.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2dkp h GLU 108 CO 0.11 1.04 -0.28 -0.07 0.07 0.00 0.00 179.01 179.87 2dkp h LEU 109 N 0.60 0.65 0.25 3.06 3.38 -0.96 -0.53 115.31 121.76 2dkp h LEU 109 Ca 0.04 -0.25 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 2dkp h LEU 109 Cb 1.01 -0.18 0.04 0.00 0.09 0.00 0.00 40.66 41.61 2dkp h LEU 109 CO 0.10 0.90 -1.49 -0.50 0.09 0.00 0.00 178.44 177.54 2dkp h TRP 110 N 0.55 0.96 0.32 1.13 -0.00 -1.54 -3.27 115.95 114.10 2dkp h TRP 110 Ca 0.07 -0.70 -0.02 0.00 -0.00 0.00 0.00 58.89 58.24 2dkp h TRP 110 Cb 0.76 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 2dkp h TRP 110 CO 0.03 1.56 -0.15 0.52 -0.00 0.00 0.00 178.44 180.40 2dkp h MET 111 N 0.14 -0.41 -0.88 0.49 2.86 -0.60 0.18 114.93 116.71 2dkp h MET 111 Ca -0.26 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 57.69 2dkp h MET 111 Cb 2.17 0.09 -0.16 0.00 0.06 0.00 0.00 31.60 33.76 2dkp h MET 111 CO 0.27 -0.28 0.14 1.63 1.06 0.00 0.00 176.91 179.73 2dkp n LYS 112 N -3.63 -0.07 0.09 1.72 4.76 -0.21 -0.27 118.16 120.55 2dkp n LYS 112 Ca -0.05 1.29 -0.05 0.00 -2.87 0.00 0.00 58.31 56.63 2dkp n LYS 112 Cb 0.17 -2.11 -0.02 0.00 -1.84 0.00 0.00 35.03 31.22 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 -0.37 -0.98 7.82 0.00 -1.60 -3.05 119.26 122.84 2dkp h ALA 113 Ca 0.59 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.58 2dkp h ALA 113 Cb 1.33 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.07 2dkp h ALA 113 CO -0.79 -0.35 -0.39 0.52 0.00 0.00 0.00 179.25 178.24 2dkp h MET 114 N -0.84 -0.01 0.09 0.00 2.86 0.79 0.01 114.93 117.84 2dkp h MET 114 Ca -0.03 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2dkp h MET 114 Cb 0.23 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 2dkp h MET 114 CO 0.05 -0.00 -0.49 -0.07 1.06 0.00 0.00 176.91 177.46 2dkp h LEU 115 N -0.01 -1.47 -1.11 1.22 -0.00 -0.77 0.41 115.31 113.58 2dkp h LEU 115 Ca 0.34 0.16 0.06 0.00 -0.00 0.00 0.00 57.88 58.44 2dkp h LEU 115 Cb 0.59 0.55 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2dkp h LEU 115 CO -0.98 -0.53 0.72 -0.78 -0.00 0.00 0.00 178.44 176.88 2dkp h ASP 116 N -0.70 0.00 0.09 -0.43 3.58 -0.89 1.32 116.42 119.38 2dkp h ASP 116 Ca 0.01 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 2dkp h ASP 116 Cb 0.73 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 2dkp h ASP 116 CO -0.29 0.00 -2.15 0.00 -2.88 0.00 0.00 179.24 173.91 2dkp n ALA 117 N -1.85 1.93 -0.07 -0.78 0.00 0.58 -4.32 120.51 116.00 2dkp n ALA 117 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 2dkp n ALA 117 Cb 0.80 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 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 1.34 0.02 0.00 0.00 0.00 0.55 -1.20 119.26 119.97 2dkp h ALA 118 Ca -0.34 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2dkp h ALA 118 Cb 1.81 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2dkp h ALA 118 CO 0.02 0.05 0.26 1.37 0.00 0.00 0.00 179.25 180.96 2dkp h LEU 119 N -1.00 0.00 -9.42 0.00 -0.00 -0.67 -3.39 115.31 100.84 2dkp h LEU 119 Ca -0.03 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.24 2dkp h LEU 119 Cb 1.01 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 41.72 2dkp h LEU 119 CO -0.02 0.00 0.70 0.52 -0.00 0.00 0.00 178.44 179.65 2dkp n VAL 120 N -2.18 0.03 -3.31 0.15 0.31 -1.23 -4.91 118.33 107.18 2dkp n VAL 120 Ca -0.01 -0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.87 2dkp n VAL 120 Cb 0.28 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 3.28 3.63 -3.71 5.55 6.02 -1.26 -4.79 117.38 126.10 2dkp n GLN 121 Ca 0.18 -4.47 -0.17 0.00 -0.01 0.00 0.00 57.00 52.53 2dkp n GLN 121 Cb 0.25 -2.55 -0.16 0.00 1.02 0.00 0.00 30.24 28.80 2dkp n GLN 121 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2dkp s THR 122 N -1.42 -0.11 -0.18 5.09 -1.32 -1.26 -5.05 115.64 111.38 2dkp s THR 122 Ca 0.31 0.32 -0.21 0.00 -1.21 0.00 0.00 61.69 60.89 2dkp s THR 122 Cb -0.09 -0.17 -0.18 0.00 -1.51 0.00 0.00 72.50 70.55 2dkp s THR 122 CO -0.06 0.13 0.29 0.77 -2.21 0.00 0.00 174.62 173.54 2dkp h SER 123 N 7.90 0.00 0.00 8.08 4.64 -1.97 -3.46 113.55 128.74 2dkp h SER 123 Ca -0.27 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2dkp h SER 123 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2dkp h SER 123 CO 0.29 1.27 0.00 0.61 -0.87 0.00 0.00 176.83 178.13 2dkp n GLY 124 N 1.50 2.52 3.30 -0.77 0.00 -1.26 -4.98 105.19 105.50 2dkp n GLY 124 Ca -0.23 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 2dkp n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dkp n PRO 125 N 0.00 0.15 -4.37 1.61 -0.02 -1.26 -1.83 135.00 129.28 2dkp n PRO 125 Ca 0.00 0.07 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 2dkp n PRO 125 Cb 0.00 -1.34 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 2dkp n PRO 125 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2dkp n SER 126 N 1.57 -2.08 -4.63 2.55 3.41 -1.26 -4.84 113.62 108.34 2dkp n SER 126 Ca 0.07 -1.15 -0.37 0.00 -0.26 0.00 0.00 58.87 57.17 2dkp n SER 126 Cb 0.50 -2.13 0.07 0.00 -0.26 0.00 0.00 64.21 62.38 2dkp n SER 126 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkp n SER 127 N -2.60 0.83 0.00 4.04 3.41 -0.76 -5.09 113.62 113.45 2dkp n SER 127 Ca 0.04 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 2dkp n SER 127 Cb 0.50 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2dkp n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49