#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 5.30 0.42 1.61 0.01 -1.26 -5.10 113.70 114.68 2dkp s SER 2 Ca 0.00 1.00 0.07 0.00 1.31 0.00 0.00 55.95 58.33 2dkp s SER 2 Cb 0.00 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 2dkp s SER 2 CO 0.00 -1.40 0.21 -0.44 0.41 0.00 0.00 173.24 172.01 2dkp s SER 3 N -4.39 4.49 -0.38 2.44 0.01 -1.26 -5.11 113.70 109.50 2dkp s SER 3 Ca 0.58 -1.06 -0.03 0.00 1.31 0.00 0.00 55.95 56.75 2dkp s SER 3 Cb -0.11 -0.45 0.21 0.00 0.21 0.00 0.00 66.02 65.88 2dkp s SER 3 CO 0.50 -0.58 1.01 0.61 0.41 0.00 0.00 173.24 175.20 2dkp n GLY 4 N -1.29 -1.43 3.59 3.44 0.00 -1.26 -5.17 105.19 103.08 2dkp n GLY 4 Ca -0.01 1.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.85 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 0.93 4.02 0.08 1.61 0.01 -1.26 -5.13 113.70 113.96 2dkp s SER 5 Ca 0.25 -1.01 -0.22 0.00 1.31 0.00 0.00 55.95 56.28 2dkp s SER 5 Cb 0.10 -0.48 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 2dkp s SER 5 CO -0.09 -0.16 0.65 -0.44 0.41 0.00 0.00 173.24 173.60 2dkp s SER 6 N -3.66 7.14 0.23 2.44 0.01 -1.26 -5.08 113.70 113.53 2dkp s SER 6 Ca 0.33 1.36 0.02 0.00 1.31 0.00 0.00 55.95 58.97 2dkp s SER 6 Cb -0.01 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2dkp s SER 6 CO 0.18 0.20 0.18 0.61 0.41 0.00 0.00 173.24 174.82 2dkp n GLY 7 N 1.90 2.85 3.64 3.44 0.00 -1.26 -5.15 105.19 110.60 2dkp n GLY 7 Ca -0.08 -2.22 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.96 0.26 -0.38 1.61 0.00 -1.26 -5.13 119.74 111.88 2dkp s LYS 8 Ca 0.14 0.26 0.04 0.00 0.00 0.00 0.00 55.97 56.41 2dkp s LYS 8 Cb -0.01 0.13 0.11 0.00 0.00 0.00 0.00 37.83 38.05 2dkp s LYS 8 CO 0.09 -0.04 0.10 1.03 0.00 0.00 0.00 175.35 176.53 2dkp s ARG 9 N -0.10 1.57 -0.13 1.78 0.52 -1.26 -5.07 118.95 116.26 2dkp s ARG 9 Ca 0.05 -2.03 -0.00 0.00 -0.52 0.00 0.00 55.73 53.23 2dkp s ARG 9 Cb -0.04 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.26 2dkp s ARG 9 CO -0.10 -0.98 -0.10 -1.12 0.02 0.00 0.00 175.30 173.02 2dkp s SER 10 N 0.64 2.41 0.12 0.23 0.01 -1.26 -5.04 113.70 110.81 2dkp s SER 10 Ca 0.12 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.76 2dkp s SER 10 Cb -0.21 -0.97 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 2dkp s SER 10 CO -0.07 -0.10 1.33 0.59 0.41 0.00 0.00 173.24 175.40 2dkp n ASN 11 N 4.87 -0.80 -4.46 2.44 4.13 -1.26 -4.53 115.26 115.66 2dkp n ASN 11 Ca -0.14 1.51 -0.26 0.00 1.68 0.00 0.00 54.58 57.37 2dkp n ASN 11 Cb 0.50 -0.26 0.14 0.00 -1.54 0.00 0.00 39.78 38.62 2dkp n ASN 11 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2dkp s SER 12 N -5.01 3.84 -0.03 6.41 0.01 -1.26 -5.11 113.70 112.56 2dkp s SER 12 Ca -0.09 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.05 2dkp s SER 12 Cb 0.08 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2dkp s SER 12 CO 0.47 -2.22 -0.19 -0.63 0.41 0.00 0.00 173.24 171.07 2dkp s ILE 13 N -3.43 1.55 -0.14 1.44 1.01 -1.26 -5.13 121.20 115.25 2dkp s ILE 13 Ca 0.70 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2dkp s ILE 13 Cb -0.04 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2dkp s ILE 13 CO 0.48 0.44 0.09 -0.75 0.00 0.00 0.00 174.94 175.20 2dkp s LYS 14 N -0.30 3.56 -0.19 2.79 2.47 -1.26 -4.93 119.74 121.89 2dkp s LYS 14 Ca 0.04 -0.25 -0.24 0.00 -1.56 0.00 0.00 55.97 53.95 2dkp s LYS 14 Cb -0.09 -3.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.13 2dkp s LYS 14 CO 0.00 0.58 0.79 0.50 0.16 0.00 0.00 175.35 177.39 2dkp s ARG 15 N -0.50 4.25 -0.39 4.03 3.52 -1.26 -5.02 118.95 123.59 2dkp s ARG 15 Ca 0.11 0.92 -0.28 0.00 -0.13 0.00 0.00 55.73 56.35 2dkp s ARG 15 Cb -0.12 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 2dkp s ARG 15 CO 0.02 -0.36 1.05 1.21 -0.81 0.00 0.00 175.30 176.41 2dkp s ASN 16 N 1.21 6.74 0.17 -2.12 2.47 -1.26 -4.94 114.94 117.21 2dkp s ASN 16 Ca 0.36 0.68 -0.24 0.00 0.42 0.00 0.00 52.86 54.08 2dkp s ASN 16 Cb -0.16 -2.52 0.06 0.00 -1.45 0.00 0.00 41.25 37.18 2dkp s ASN 16 CO 0.11 -1.00 1.58 -0.65 -3.72 0.00 0.00 177.10 173.41 2dkp h PRO 17 N 8.61 -0.22 -0.68 0.43 0.11 -2.03 -1.16 132.00 137.06 2dkp h PRO 17 Ca -0.22 0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.04 2dkp h PRO 17 Cb 1.07 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.10 2dkp h PRO 17 CO 1.05 -0.15 -0.20 -0.91 -0.21 0.00 0.00 178.00 177.59 2dkp h ASN 18 N -0.23 -0.72 0.00 -2.05 2.35 -2.05 -3.40 115.58 109.48 2dkp h ASN 18 Ca 0.19 0.21 -0.40 0.00 -0.55 0.00 0.00 56.30 55.75 2dkp h ASN 18 Cb 0.56 0.45 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 2dkp h ASN 18 CO -0.65 -0.24 1.24 0.00 -1.65 0.00 0.00 177.43 176.12 2dkp n ALA 19 N -3.16 0.20 -1.47 -0.83 0.00 -0.44 -4.74 120.51 110.07 2dkp n ALA 19 Ca 0.08 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 2dkp n ALA 19 Cb 0.36 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 6.11 0.64 -3.59 0.00 -0.02 -1.26 -4.65 135.00 132.22 2dkp n PRO 20 Ca 0.47 0.23 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 2dkp n PRO 20 Cb 0.01 -1.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.23 5.32 -0.02 -1.45 1.01 -1.26 -4.11 120.40 118.65 2dkp s VAL 21 Ca 0.62 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 2dkp s VAL 21 Cb -0.72 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 31.97 2dkp s VAL 21 CO 0.58 0.33 0.92 0.58 0.00 0.00 0.00 175.10 177.52 2dkp h VAL 22 N 4.98 0.38 -1.52 2.92 2.07 -1.38 -3.48 116.25 120.22 2dkp h VAL 22 Ca -0.38 -0.67 0.10 0.00 0.82 0.00 0.00 66.70 66.57 2dkp h VAL 22 Cb 1.17 0.59 -0.27 0.00 -1.52 0.00 0.00 31.29 31.26 2dkp h VAL 22 CO 0.69 0.08 0.44 -0.60 0.02 0.00 0.00 177.57 178.20 2dkp s ARG 23 N -3.92 0.40 -0.07 1.57 3.52 -1.25 -5.05 118.95 114.15 2dkp s ARG 23 Ca -0.12 0.60 0.04 0.00 -0.13 0.00 0.00 55.73 56.12 2dkp s ARG 23 Cb 0.01 0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 33.53 2dkp s ARG 23 CO 0.41 -0.07 -0.21 -0.98 -0.81 0.00 0.00 175.30 173.64 2dkp s ARG 24 N 0.88 2.43 -0.02 5.12 1.70 -1.26 -2.75 118.95 125.04 2dkp s ARG 24 Ca -0.04 -0.75 -0.29 0.00 -0.47 0.00 0.00 55.73 54.18 2dkp s ARG 24 Cb -0.04 -1.95 0.08 0.00 -0.57 0.00 0.00 34.95 32.46 2dkp s ARG 24 CO -0.12 0.21 0.71 0.20 -1.08 0.00 0.00 175.30 175.22 2dkp s GLY 25 N 0.21 -0.55 -0.55 3.88 0.00 -1.06 -5.04 107.32 104.21 2dkp s GLY 25 Ca -0.11 1.24 -0.26 0.00 0.00 0.00 0.00 44.72 45.58 2dkp s GLY 25 CO 0.05 0.80 2.34 -0.98 0.00 0.00 0.00 173.10 175.32 2dkp s TRP 26 N -1.70 1.16 0.15 1.90 0.52 -1.26 -3.59 118.94 116.12 2dkp s TRP 26 Ca -0.07 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.61 2dkp s TRP 26 Cb -0.00 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 2dkp s TRP 26 CO 0.04 -2.36 0.23 -1.17 0.02 0.00 0.00 176.95 173.71 2dkp s LEU 27 N 12.19 4.14 0.01 2.99 2.96 -1.19 -4.97 118.68 134.81 2dkp s LEU 27 Ca 0.93 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2dkp s LEU 27 Cb -0.16 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 2dkp s LEU 27 CO 0.22 0.06 0.06 -0.31 -1.32 0.00 0.00 176.35 175.07 2dkp s TYR 28 N -1.74 3.22 0.15 5.38 2.02 -1.25 -3.00 117.35 122.13 2dkp s TYR 28 Ca 0.33 0.16 0.06 0.00 -0.37 0.00 0.00 57.07 57.25 2dkp s TYR 28 Cb -0.11 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2dkp s TYR 28 CO 0.27 0.53 -0.13 0.21 -1.57 0.00 0.00 175.55 174.85 2dkp s LYS 29 N -1.76 1.10 -0.12 -0.62 2.20 -1.03 -3.47 119.74 116.03 2dkp s LYS 29 Ca 0.23 -1.38 -0.10 0.00 -0.36 0.00 0.00 55.97 54.36 2dkp s LYS 29 Cb -0.12 -0.86 -0.05 0.00 -1.51 0.00 0.00 37.83 35.29 2dkp s LYS 29 CO 0.14 0.15 0.20 -1.14 -0.36 0.00 0.00 175.35 174.33 2dkp s GLN 30 N -3.19 3.78 0.27 4.03 2.00 -0.62 -1.36 119.66 124.56 2dkp s GLN 30 Ca 0.14 -0.03 0.09 0.00 -2.00 0.00 0.00 55.36 53.56 2dkp s GLN 30 Cb -0.02 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 2dkp s GLN 30 CO 0.03 0.59 0.05 -0.51 -0.50 0.00 0.00 175.29 174.95 2dkp s ASP 31 N -0.54 4.75 -0.07 6.67 1.01 -1.14 -4.64 116.67 122.71 2dkp s ASP 31 Ca 0.15 -0.57 -0.08 0.00 0.71 0.00 0.00 52.55 52.76 2dkp s ASP 31 Cb -0.13 -0.95 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 2dkp s ASP 31 CO 0.04 -0.03 -0.15 -0.24 0.21 0.00 0.00 175.17 175.00 2dkp n SER 32 N -0.97 0.95 -0.39 0.27 2.88 -1.26 -3.73 113.62 111.36 2dkp n SER 32 Ca -0.06 0.16 0.33 0.00 -1.33 0.00 0.00 58.87 57.96 2dkp n SER 32 Cb 0.59 -0.55 0.63 0.00 -0.75 0.00 0.00 64.21 64.13 2dkp n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dkp h THR 33 N -0.43 0.32 0.00 2.46 1.03 -2.02 -3.39 112.91 110.87 2dkp h THR 33 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2dkp h THR 33 Cb 0.43 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 2dkp h THR 33 CO 0.00 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.15 2dkp n GLY 34 N -1.58 -1.93 1.89 2.99 0.00 -1.26 -4.91 105.19 100.39 2dkp n GLY 34 Ca 0.31 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2dkp n GLY 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dkp n MET 35 N 0.00 3.13 -3.84 1.61 2.81 -1.26 -4.92 117.12 114.65 2dkp n MET 35 Ca 0.00 -3.85 -0.28 0.00 -1.81 0.00 0.00 57.70 51.75 2dkp n MET 35 Cb 0.00 -2.19 0.04 0.00 -0.71 0.00 0.00 33.22 30.36 2dkp n MET 35 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dkp n LYS 36 N -0.82 -5.90 -3.68 0.03 4.76 -1.24 -4.98 118.16 106.33 2dkp n LYS 36 Ca 0.45 0.64 -0.25 0.00 -2.87 0.00 0.00 58.31 56.28 2dkp n LYS 36 Cb 0.90 -5.53 0.01 0.00 -1.84 0.00 0.00 35.03 28.57 2dkp n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dkp n LEU 37 N -4.70 0.00 -4.48 -0.35 4.77 -1.26 -4.89 117.00 106.09 2dkp n LEU 37 Ca 0.00 -2.75 -0.35 0.00 -0.03 0.00 0.00 56.01 52.88 2dkp n LEU 37 Cb 0.55 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 2dkp n LEU 37 CO 0.73 -0.59 -0.31 0.26 -1.33 0.00 0.00 177.39 176.15 2dkp s TRP 38 N -2.64 3.08 0.09 -1.77 0.52 -1.26 -2.90 118.94 114.06 2dkp s TRP 38 Ca 0.33 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.11 2dkp s TRP 38 Cb -0.03 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 2dkp s TRP 38 CO 0.21 -0.18 0.23 0.15 0.02 0.00 0.00 176.95 177.38 2dkp s LYS 39 N 0.95 3.42 -0.35 4.98 -0.14 -0.47 -4.88 119.74 123.27 2dkp s LYS 39 Ca 0.02 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 53.98 2dkp s LYS 39 Cb -0.14 -3.01 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2dkp s LYS 39 CO 0.02 0.58 0.42 0.21 -0.76 0.00 0.00 175.35 175.82 2dkp s LYS 40 N -2.71 3.55 -0.01 1.68 2.20 -1.26 -2.46 119.74 120.73 2dkp s LYS 40 Ca 0.35 -0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 2dkp s LYS 40 Cb -0.12 -3.82 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2dkp s LYS 40 CO 0.28 -0.59 0.05 1.03 -0.36 0.00 0.00 175.35 175.76 2dkp s ARG 41 N 2.16 0.20 0.14 4.03 1.81 -1.16 -5.06 118.95 121.05 2dkp s ARG 41 Ca 0.14 -0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 53.67 2dkp s ARG 41 Cb -0.16 0.08 -0.08 0.00 -0.45 0.00 0.00 34.95 34.34 2dkp s ARG 41 CO 0.12 -0.04 1.36 -0.46 -0.68 0.00 0.00 175.30 175.61 2dkp s TRP 42 N -0.58 3.26 -0.03 -0.53 -0.00 -1.26 -3.15 118.94 116.65 2dkp s TRP 42 Ca -0.06 1.04 0.04 0.00 -0.00 0.00 0.00 56.10 57.12 2dkp s TRP 42 Cb -0.04 -3.65 -0.01 0.00 -0.00 0.00 0.00 33.47 29.78 2dkp s TRP 42 CO 0.00 -2.19 -0.16 -0.06 -0.00 0.00 0.00 176.95 174.53 2dkp s PHE 43 N 0.83 1.59 -0.06 5.86 0.08 -1.24 -2.94 117.98 122.10 2dkp s PHE 43 Ca 0.62 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.29 2dkp s PHE 43 Cb -0.36 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 2dkp s PHE 43 CO 0.32 -0.11 -0.08 0.08 -0.10 0.00 0.00 175.22 175.33 2dkp s VAL 44 N -0.10 0.83 -0.55 -0.44 1.01 0.15 -2.55 120.40 118.75 2dkp s VAL 44 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2dkp s VAL 44 Cb -0.10 -0.80 0.12 0.00 0.00 0.00 0.00 36.38 35.61 2dkp s VAL 44 CO 0.01 0.29 0.53 -0.22 0.00 0.00 0.00 175.10 175.71 2dkp s LEU 45 N 0.85 6.02 0.03 3.92 1.98 -1.11 -1.69 118.68 128.68 2dkp s LEU 45 Ca -0.12 -1.70 -0.09 0.00 -2.89 0.00 0.00 54.13 49.33 2dkp s LEU 45 Cb -0.15 -2.23 0.00 0.00 0.66 0.00 0.00 46.19 44.48 2dkp s LEU 45 CO 0.01 -0.90 0.17 -0.44 -1.89 0.00 0.00 176.35 173.31 2dkp s SER 46 N 3.56 0.04 -1.40 3.68 0.01 -1.06 -0.88 113.70 117.64 2dkp s SER 46 Ca 0.05 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 2dkp s SER 46 Cb -0.29 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.24 2dkp s SER 46 CO 0.04 -0.50 0.51 -0.67 0.41 0.00 0.00 173.24 173.03 2dkp n ASP 47 N 0.93 -4.86 -3.55 2.44 2.03 -1.26 -0.99 116.55 111.29 2dkp n ASP 47 Ca -0.20 -0.30 -0.26 0.00 0.52 0.00 0.00 54.79 54.55 2dkp n ASP 47 Cb 0.58 -3.98 0.01 0.00 -0.72 0.00 0.00 41.12 37.01 2dkp n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dkp n LEU 48 N -3.81 -2.04 -3.95 -2.67 7.99 -1.26 -4.94 117.00 106.32 2dkp n LEU 48 Ca -0.07 -0.54 -0.09 0.00 -0.01 0.00 0.00 56.01 55.30 2dkp n LEU 48 Cb 0.58 -2.38 -0.07 0.00 -0.11 0.00 0.00 43.42 41.44 2dkp n LEU 48 CO 0.47 0.28 -0.08 0.00 -1.51 0.00 0.00 177.39 176.55 2dkp s LEU 50 N -2.94 4.16 -0.07 0.00 1.43 -0.12 -2.57 118.68 118.56 2dkp s LEU 50 Ca 0.14 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2dkp s LEU 50 Cb 0.04 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2dkp s LEU 50 CO -0.03 0.08 -0.06 -0.36 0.23 0.00 0.00 176.35 176.21 2dkp s PHE 51 N 0.84 1.08 0.17 0.29 0.08 -0.68 -1.16 117.98 118.60 2dkp s PHE 51 Ca 0.10 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.81 2dkp s PHE 51 Cb -0.13 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2dkp s PHE 51 CO 0.03 -0.32 -0.13 1.52 -0.10 0.00 0.00 175.22 176.22 2dkp s TYR 52 N 1.26 1.54 0.30 0.36 -0.85 -1.26 0.32 117.35 119.02 2dkp s TYR 52 Ca -0.05 -0.61 0.05 0.00 -0.52 0.00 0.00 57.07 55.94 2dkp s TYR 52 Cb -0.14 -0.75 -0.02 0.00 0.38 0.00 0.00 41.96 41.43 2dkp s TYR 52 CO -0.02 0.25 0.17 0.66 -1.52 0.00 0.00 175.55 175.09 2dkp n TYR 53 N -0.13 -0.26 0.19 -3.49 4.02 -1.15 -3.08 117.16 113.25 2dkp n TYR 53 Ca -0.10 -2.18 0.05 0.00 -0.01 0.00 0.00 57.90 55.65 2dkp n TYR 53 Cb 0.60 0.11 0.48 0.00 -0.02 0.00 0.00 39.34 40.51 2dkp n TYR 53 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 2dkp h ARG 54 N 0.00 0.08 -2.67 -0.72 0.11 -1.84 -3.34 114.38 106.00 2dkp h ARG 54 Ca -0.22 -0.02 0.11 0.00 0.10 0.00 0.00 59.98 59.95 2dkp h ARG 54 Cb 0.97 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 2dkp h ARG 54 CO 0.34 0.23 0.49 0.34 0.10 0.00 0.00 179.97 181.47 2dkp s ASP 55 N -6.96 0.00 0.52 0.08 2.15 -1.26 -4.78 116.67 106.42 2dkp s ASP 55 Ca -0.05 -0.81 0.30 0.00 0.43 0.00 0.00 52.55 52.43 2dkp s ASP 55 Cb 0.16 0.60 1.44 0.00 -0.30 0.00 0.00 42.92 44.82 2dkp s ASP 55 CO 0.71 -1.20 1.87 1.05 -0.17 0.00 0.00 175.17 177.43 2dkp h GLU 56 N 2.00 0.05 -0.97 4.34 4.11 -1.96 0.80 114.58 122.95 2dkp h GLU 56 Ca -0.29 -0.00 0.28 0.00 0.07 0.00 0.00 59.36 59.42 2dkp h GLU 56 Cb 1.23 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2dkp h GLU 56 CO 0.37 0.03 0.84 0.87 0.07 0.00 0.00 179.01 181.19 2dkp h LYS 57 N 0.05 0.00 -6.05 1.06 1.79 -1.98 -3.44 116.57 108.00 2dkp h LYS 57 Ca 0.45 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.50 2dkp h LYS 57 Cb 1.70 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.41 2dkp h LYS 57 CO -0.03 0.00 -0.76 0.39 -1.08 0.00 0.00 179.45 177.97 2dkp n GLU 58 N -3.84 -6.19 -3.43 3.15 1.02 0.27 -4.94 120.64 106.69 2dkp n GLU 58 Ca 0.21 0.70 -0.44 0.00 -0.02 0.00 0.00 57.16 57.61 2dkp n GLU 58 Cb 1.16 -5.57 -0.05 0.00 -0.02 0.00 0.00 31.44 26.95 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 -6.23 3.01 0.00 3.49 2.02 -1.26 -4.86 118.70 114.87 2dkp s GLU 59 Ca 0.40 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 53.33 2dkp s GLU 59 Cb -0.19 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 29.86 2dkp s GLU 59 CO 0.79 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2dkp n GLY 60 N 4.55 -2.83 3.69 -1.39 0.00 -1.26 -4.70 105.19 103.24 2dkp n GLY 60 Ca -0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 4.38 0.26 -0.61 1.01 -1.26 -4.27 121.20 120.70 2dkp s ILE 61 Ca 0.00 1.69 0.08 0.00 0.00 0.00 0.00 60.65 62.42 2dkp s ILE 61 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2dkp s ILE 61 CO 0.00 -0.00 1.58 -0.07 0.00 0.00 0.00 174.94 176.45 2dkp h LEU 62 N 8.19 0.09 -7.00 2.97 3.38 -1.88 -3.47 115.31 117.59 2dkp h LEU 62 Ca -0.33 -0.05 0.20 0.00 0.09 0.00 0.00 57.88 57.79 2dkp h LEU 62 Cb 1.16 -0.03 -0.33 0.00 0.09 0.00 0.00 40.66 41.55 2dkp h LEU 62 CO 0.88 0.69 0.90 -0.83 0.09 0.00 0.00 178.44 180.17 2dkp s GLY 63 N -4.43 0.38 0.14 0.83 0.00 -1.26 -5.13 107.32 97.86 2dkp s GLY 63 Ca -0.02 3.57 0.00 0.00 0.00 0.00 0.00 44.72 48.27 2dkp s GLY 63 CO 0.78 1.94 0.30 -1.35 0.00 0.00 0.00 173.10 174.77 2dkp s SER 64 N 0.01 6.37 -0.08 1.64 1.04 -1.26 -4.01 113.70 117.41 2dkp s SER 64 Ca 0.08 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2dkp s SER 64 Cb -0.05 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.12 2dkp s SER 64 CO -0.16 0.06 -0.07 -0.63 0.98 0.00 0.00 173.24 173.41 2dkp s ILE 65 N -1.71 0.89 -0.34 -1.02 1.01 -0.31 -5.03 121.20 114.70 2dkp s ILE 65 Ca 0.36 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.48 2dkp s ILE 65 Cb -0.12 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.47 2dkp s ILE 65 CO 0.28 0.33 0.99 -0.76 0.00 0.00 0.00 174.94 175.78 2dkp s LEU 66 N 1.31 3.96 0.04 2.97 2.01 -1.26 -0.94 118.68 126.77 2dkp s LEU 66 Ca -0.03 0.84 -0.18 0.00 0.01 0.00 0.00 54.13 54.78 2dkp s LEU 66 Cb -0.14 -3.40 -0.19 0.00 0.01 0.00 0.00 46.19 42.48 2dkp s LEU 66 CO -0.03 -0.85 1.22 -0.07 1.01 0.00 0.00 176.35 177.63 2dkp h LEU 67 N 10.03 0.64 -1.61 1.79 3.38 -1.91 -3.18 115.31 124.44 2dkp h LEU 67 Ca -0.22 -0.66 0.18 0.00 0.09 0.00 0.00 57.88 57.27 2dkp h LEU 67 Cb 1.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2dkp h LEU 67 CO 1.00 1.19 0.74 -0.65 0.09 0.00 0.00 178.44 180.81 2dkp h PRO 68 N 0.12 0.00 0.00 1.13 0.11 -1.77 0.88 132.00 132.47 2dkp h PRO 68 Ca -0.04 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 2dkp h PRO 68 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2dkp h PRO 68 CO 0.11 0.00 -1.46 -1.13 -0.21 0.00 0.00 178.00 175.31 2dkp n SER 69 N -3.47 0.68 -4.83 -2.05 3.41 -1.21 -4.74 113.62 101.41 2dkp n SER 69 Ca 0.13 0.29 -0.34 0.00 -0.26 0.00 0.00 58.87 58.69 2dkp n SER 69 Cb 0.96 0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 65.38 2dkp n SER 69 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2dkp s PHE 70 N -3.08 3.44 -0.33 7.33 0.08 0.30 -4.36 117.98 121.36 2dkp s PHE 70 Ca -0.03 1.35 -0.05 0.00 0.12 0.00 0.00 56.93 58.31 2dkp s PHE 70 Cb 0.09 -2.63 0.05 0.00 -0.57 0.00 0.00 43.02 39.96 2dkp s PHE 70 CO 0.82 0.12 0.08 -1.14 -0.10 0.00 0.00 175.22 175.00 2dkp s GLN 71 N -2.75 2.54 -0.30 0.44 0.74 0.14 -4.72 119.66 115.75 2dkp s GLN 71 Ca 0.53 -1.23 -0.29 0.00 0.05 0.00 0.00 55.36 54.42 2dkp s GLN 71 Cb -0.12 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.62 2dkp s GLN 71 CO 0.18 -0.67 1.06 0.42 -0.55 0.00 0.00 175.29 175.73 2dkp s ILE 72 N 1.35 4.55 -0.13 -2.34 -1.09 -1.26 -1.78 121.20 120.50 2dkp s ILE 72 Ca -0.02 1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 60.07 2dkp s ILE 72 Cb -0.20 -4.39 0.04 0.00 -1.58 0.00 0.00 42.46 36.33 2dkp s ILE 72 CO 0.01 -0.41 0.33 0.00 -1.23 0.00 0.00 174.94 173.64 2dkp s ALA 73 N 3.54 -0.82 0.40 9.38 0.00 -1.09 -5.05 121.76 128.11 2dkp s ALA 73 Ca 0.45 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.20 2dkp s ALA 73 Cb -0.13 -0.62 -0.11 0.00 0.00 0.00 0.00 23.12 22.26 2dkp s ALA 73 CO 0.13 -0.18 1.13 1.28 0.00 0.00 0.00 175.76 178.13 2dkp n LEU 74 N 3.30 3.16 -4.48 0.00 7.99 -1.26 -3.13 117.00 122.58 2dkp n LEU 74 Ca -0.16 1.09 -0.32 0.00 -0.01 0.00 0.00 56.01 56.61 2dkp n LEU 74 Cb 0.57 -1.41 0.15 0.00 -0.11 0.00 0.00 43.42 42.61 2dkp n LEU 74 CO 0.14 -1.07 0.13 0.18 -1.51 0.00 0.00 177.39 175.26 2dkp n LEU 75 N 0.49 0.50 -4.43 2.23 4.77 -1.26 -4.87 117.00 114.43 2dkp n LEU 75 Ca 0.08 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 2dkp n LEU 75 Cb 0.38 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 2dkp n LEU 75 CO 0.58 -3.12 -0.35 0.28 -1.33 0.00 0.00 177.39 173.45 2dkp s THR 76 N -2.45 1.56 0.39 -5.08 -1.32 -1.26 -5.00 115.64 102.49 2dkp s THR 76 Ca 0.61 -2.10 0.20 0.00 -1.21 0.00 0.00 61.69 59.18 2dkp s THR 76 Cb -0.21 -2.48 0.40 0.00 -1.51 0.00 0.00 72.50 68.69 2dkp s THR 76 CO 0.64 -0.27 1.73 0.77 -2.21 0.00 0.00 174.62 175.29 2dkp h SER 77 N 2.27 0.43 -0.32 8.08 4.64 -2.02 0.72 113.55 127.35 2dkp h SER 77 Ca -0.40 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2dkp h SER 77 Cb 1.23 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2dkp h SER 77 CO 0.68 0.02 0.16 -0.33 -0.87 0.00 0.00 176.83 176.49 2dkp h GLU 78 N 0.35 0.51 -0.77 4.77 4.39 -2.03 -2.94 114.58 118.85 2dkp h GLU 78 Ca 0.65 -0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.50 2dkp h GLU 78 Cb 1.69 -0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 30.09 2dkp h GLU 78 CO -0.35 0.41 -0.01 -0.40 -1.16 0.00 0.00 179.01 177.49 2dkp n ASP 79 N -4.41 -0.12 -2.20 1.42 5.75 0.25 -4.74 116.55 112.51 2dkp n ASP 79 Ca 0.02 1.31 -0.19 0.00 -0.01 0.00 0.00 54.79 55.92 2dkp n ASP 79 Cb 0.12 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.74 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 -5.11 -0.91 -4.44 2.11 8.25 -1.11 -4.98 115.22 109.03 2dkp n HIS 80 Ca 0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 2dkp n HIS 80 Cb 0.57 -3.75 -0.12 0.00 1.12 0.00 0.00 29.99 27.80 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 -2.96 3.85 -0.27 1.59 1.01 -1.26 -5.00 121.20 118.15 2dkp s ILE 81 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 2dkp s ILE 81 Cb 0.00 -2.67 0.14 0.00 0.01 0.00 0.00 42.46 39.93 2dkp s ILE 81 CO 0.00 0.50 2.19 -3.20 0.00 0.00 0.00 174.94 174.43 2dkp n ASN 82 N 3.42 6.24 -3.72 3.58 2.85 -1.26 -4.73 115.26 121.64 2dkp n ASN 82 Ca -0.17 -2.95 -0.29 0.00 -0.11 0.00 0.00 54.58 51.05 2dkp n ASN 82 Cb 0.53 -1.11 -0.15 0.00 1.24 0.00 0.00 39.78 40.28 2dkp n ASN 82 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2dkp s ARG 83 N -1.39 0.69 0.93 1.20 6.06 -1.26 -5.13 118.95 120.04 2dkp s ARG 83 Ca 0.31 -0.84 -0.15 0.00 -2.50 0.00 0.00 55.73 52.56 2dkp s ARG 83 Cb 0.23 -1.97 0.18 0.00 0.06 0.00 0.00 34.95 33.44 2dkp s ARG 83 CO -0.03 -0.88 1.29 0.15 -2.50 0.00 0.00 175.30 173.33 2dkp s LYS 84 N 1.72 0.92 -1.55 5.12 1.02 -1.26 -4.22 119.74 121.48 2dkp s LYS 84 Ca 0.06 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.67 2dkp s LYS 84 Cb -0.17 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 2dkp s LYS 84 CO -0.21 -2.23 0.51 0.66 -0.92 0.00 0.00 175.35 173.16 2dkp n TYR 85 N -3.66 -1.82 -4.36 3.18 4.02 -1.26 -4.73 117.16 108.52 2dkp n TYR 85 Ca 0.14 0.44 -0.18 0.00 -0.01 0.00 0.00 57.90 58.29 2dkp n TYR 85 Cb 0.60 -4.26 -0.10 0.00 -0.02 0.00 0.00 39.34 35.56 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 -3.13 1.93 0.25 -0.72 0.00 -1.26 -3.12 121.76 115.71 2dkp s ALA 86 Ca 0.27 -1.92 0.05 0.00 0.00 0.00 0.00 51.96 50.35 2dkp s ALA 86 Cb -0.12 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2dkp s ALA 86 CO 0.33 -0.40 0.24 1.97 0.00 0.00 0.00 175.76 177.90 2dkp n PHE 87 N -0.53 -0.70 -3.79 0.00 -1.74 -0.03 -4.28 117.46 106.39 2dkp n PHE 87 Ca -0.01 -2.03 -0.13 0.00 -0.56 0.00 0.00 57.45 54.73 2dkp n PHE 87 Cb 0.66 0.25 -0.12 0.00 1.52 0.00 0.00 39.48 41.79 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 -2.93 0.24 -0.22 3.97 -2.85 -1.18 -2.04 119.74 114.71 2dkp s LYS 88 Ca 0.28 0.32 -0.04 0.00 -1.00 0.00 0.00 55.97 55.53 2dkp s LYS 88 Cb 0.01 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.85 2dkp s LYS 88 CO 0.20 -0.05 -0.02 0.00 0.10 0.00 0.00 175.35 175.58 2dkp s ALA 89 N 0.26 2.88 0.12 0.59 0.00 -0.36 -2.69 121.76 122.56 2dkp s ALA 89 Ca -0.01 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 2dkp s ALA 89 Cb -0.03 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 2dkp s ALA 89 CO -0.01 -0.43 0.49 0.00 0.00 0.00 0.00 175.76 175.81 2dkp s ALA 90 N 1.48 3.64 -0.01 0.00 0.00 -0.73 0.24 121.76 126.38 2dkp s ALA 90 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2dkp s ALA 90 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 2dkp s ALA 90 CO -0.02 0.50 -0.13 -1.58 0.00 0.00 0.00 175.76 174.52 2dkp s HIS 91 N -1.42 1.19 -0.01 0.00 2.46 -1.19 0.26 115.29 116.58 2dkp s HIS 91 Ca 0.35 -0.23 -0.22 0.00 0.47 0.00 0.00 55.06 55.43 2dkp s HIS 91 Cb -0.15 -0.76 -0.20 0.00 -0.13 0.00 0.00 32.58 31.34 2dkp s HIS 91 CO 0.19 -0.02 1.17 -1.00 -2.47 0.00 0.00 174.74 172.60 2dkp h PRO 92 N 5.77 0.28 -0.57 2.88 0.13 -1.87 -3.25 132.00 135.37 2dkp h PRO 92 Ca -0.34 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2dkp h PRO 92 Cb 1.16 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dkp h PRO 92 CO 0.49 0.87 0.00 0.09 -0.23 0.00 0.00 178.00 179.22 2dkp n ASN 93 N -4.48 3.11 -3.07 1.44 3.02 -1.26 -4.94 115.26 109.07 2dkp n ASN 93 Ca -0.08 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.32 2dkp n ASN 93 Cb 0.47 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.20 0.70 -1.15 3.52 2.81 -1.22 -5.18 117.12 117.79 2dkp n MET 94 Ca 0.19 -2.93 -0.15 0.00 -1.81 0.00 0.00 57.70 53.01 2dkp n MET 94 Cb 0.49 2.78 0.10 0.00 -0.71 0.00 0.00 33.22 35.88 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 -0.60 -0.49 -3.48 0.03 1.85 -1.26 -4.07 116.66 108.64 2dkp n ARG 95 Ca 0.01 -1.17 -0.38 0.00 -1.00 0.00 0.00 57.85 55.31 2dkp n ARG 95 Cb 0.60 -0.65 -0.09 0.00 -1.05 0.00 0.00 32.46 31.28 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 -2.33 5.24 0.62 8.89 2.01 -1.26 -3.18 115.64 125.63 2dkp s THR 96 Ca 0.39 0.46 -0.04 0.00 0.31 0.00 0.00 61.69 62.82 2dkp s THR 96 Cb -0.01 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.90 2dkp s THR 96 CO 0.27 0.24 0.90 -0.31 -0.69 0.00 0.00 174.62 175.03 2dkp s TYR 97 N 1.58 3.01 -0.03 4.92 1.51 0.14 -4.88 117.35 123.60 2dkp s TYR 97 Ca 0.13 0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 56.54 2dkp s TYR 97 Cb -0.15 -2.90 0.01 0.00 -0.11 0.00 0.00 41.96 38.81 2dkp s TYR 97 CO 0.08 -1.05 0.06 0.71 -1.11 0.00 0.00 175.55 174.25 2dkp s TYR 98 N -3.01 -0.07 -0.05 2.71 1.51 -1.26 -1.23 117.35 115.96 2dkp s TYR 98 Ca 0.57 0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 56.77 2dkp s TYR 98 Cb -0.11 -0.00 0.02 0.00 -0.11 0.00 0.00 41.96 41.76 2dkp s TYR 98 CO 0.43 -0.05 0.13 -0.06 -1.11 0.00 0.00 175.55 174.89 2dkp s PHE 99 N 0.19 -0.14 0.15 2.71 0.40 -0.87 -1.59 117.98 118.84 2dkp s PHE 99 Ca -0.01 0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.71 2dkp s PHE 99 Cb -0.02 0.02 -0.05 0.00 0.51 0.00 0.00 43.02 43.49 2dkp s PHE 99 CO -0.01 -0.08 -0.05 0.00 0.70 0.00 0.00 175.22 175.78 2dkp n THR 101 N -0.19 0.00 -0.02 0.00 -2.24 -1.18 -3.96 114.28 106.69 2dkp n THR 101 Ca -0.09 -1.34 -0.21 0.00 -2.27 0.00 0.00 64.05 60.13 2dkp n THR 101 Cb 0.62 0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 2dkp n THR 101 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dkp n ASP 102 N -1.57 2.09 -4.37 3.42 9.92 -1.26 -4.92 116.55 119.85 2dkp n ASP 102 Ca -0.06 0.18 -0.19 0.00 -0.53 0.00 0.00 54.79 54.19 2dkp n ASP 102 Cb 0.35 -0.81 -0.10 0.00 -0.64 0.00 0.00 41.12 39.91 2dkp n ASP 102 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2dkp s THR 103 N -2.54 0.86 0.18 -3.53 -4.23 -1.26 -5.06 115.64 100.07 2dkp s THR 103 Ca -0.25 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.13 2dkp s THR 103 Cb 0.07 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.29 2dkp s THR 103 CO 0.73 0.00 1.75 1.23 -0.54 0.00 0.00 174.62 177.79 2dkp h GLY 104 N 2.23 0.64 0.17 3.99 0.00 -1.94 -2.99 103.07 105.17 2dkp h GLY 104 Ca -0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2dkp h GLY 104 CO 0.65 0.01 -0.27 1.70 0.00 0.00 0.00 176.54 178.63 2dkp h LYS 105 N 0.35 -0.45 -1.37 4.80 1.63 -1.98 0.16 116.57 119.70 2dkp h LYS 105 Ca 0.23 0.03 0.40 0.00 -0.85 0.00 0.00 60.65 60.46 2dkp h LYS 105 Cb 0.24 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.92 2dkp h LYS 105 CO -0.24 -0.30 1.29 0.93 -3.45 0.00 0.00 179.45 177.68 2dkp h GLU 106 N -0.47 0.00 0.15 1.90 5.08 -1.95 1.49 114.58 120.78 2dkp h GLU 106 Ca -0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.99 2dkp h GLU 106 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dkp h GLU 106 CO -0.09 0.00 -1.79 1.98 -1.00 0.00 0.00 179.01 178.12 2dkp h MET 107 N 0.00 0.33 -0.68 2.33 4.05 -1.00 -3.22 114.93 116.75 2dkp h MET 107 Ca 0.65 -0.56 -0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2dkp h MET 107 Cb 3.22 0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 34.20 2dkp h MET 107 CO -0.01 1.27 0.15 1.05 0.23 0.00 0.00 176.91 179.60 2dkp h GLU 108 N 0.02 1.09 -0.59 0.39 4.11 0.47 0.17 114.58 120.25 2dkp h GLU 108 Ca -0.37 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 58.70 2dkp h GLU 108 Cb 2.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 2dkp h GLU 108 CO 0.13 0.97 -0.00 -0.07 0.07 0.00 0.00 179.01 180.11 2dkp h LEU 109 N 1.03 1.00 -0.08 3.06 3.38 -0.99 0.29 115.31 122.99 2dkp h LEU 109 Ca 0.21 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 2dkp h LEU 109 Cb 0.39 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2dkp h LEU 109 CO 0.01 1.06 -0.73 -0.50 0.09 0.00 0.00 178.44 178.36 2dkp h TRP 110 N 0.94 0.89 0.48 1.13 -0.00 -1.51 -3.21 115.95 114.68 2dkp h TRP 110 Ca 0.17 -0.43 -0.02 0.00 -0.00 0.00 0.00 58.89 58.61 2dkp h TRP 110 Cb 0.54 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.58 2dkp h TRP 110 CO 0.04 1.24 -0.23 0.52 -0.00 0.00 0.00 178.44 180.01 2dkp h MET 111 N 0.29 -0.62 -0.86 0.49 2.86 -0.58 0.79 114.93 117.30 2dkp h MET 111 Ca -0.07 0.04 0.33 0.00 -2.06 0.00 0.00 59.70 57.94 2dkp h MET 111 Cb 1.38 0.14 -0.16 0.00 0.06 0.00 0.00 31.60 33.03 2dkp h MET 111 CO 0.15 -0.42 0.34 1.63 1.06 0.00 0.00 176.91 179.67 2dkp n LYS 112 N -4.31 -0.06 0.02 1.72 4.76 0.08 -0.54 118.16 119.84 2dkp n LYS 112 Ca -0.08 1.22 -0.02 0.00 -2.87 0.00 0.00 58.31 56.56 2dkp n LYS 112 Cb 0.25 -2.11 -0.01 0.00 -1.84 0.00 0.00 35.03 31.32 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 1.72 -0.18 -0.92 7.82 0.00 -1.54 -3.15 119.26 123.01 2dkp h ALA 113 Ca 0.67 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.74 2dkp h ALA 113 Cb 1.70 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.37 2dkp h ALA 113 CO -0.70 -0.17 -0.24 -1.33 0.00 0.00 0.00 179.25 176.80 2dkp n MET 114 N -3.83 -0.09 -0.24 0.00 2.81 0.27 0.21 117.12 116.25 2dkp n MET 114 Ca -0.02 1.43 0.05 0.00 -1.81 0.00 0.00 57.70 57.35 2dkp n MET 114 Cb 0.05 -2.13 0.30 0.00 -0.71 0.00 0.00 33.22 30.73 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 0.78 -0.75 4.03 -0.00 -0.95 0.22 115.31 118.64 2dkp h LEU 115 Ca 0.43 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.42 2dkp h LEU 115 Cb 0.66 -0.16 -0.08 0.00 -0.00 0.00 0.00 40.66 41.08 2dkp h LEU 115 CO -0.94 0.51 0.38 -0.78 -0.00 0.00 0.00 178.44 177.61 2dkp h ASP 116 N 0.89 0.50 0.00 -0.43 1.82 0.26 0.24 116.42 119.70 2dkp h ASP 116 Ca 0.35 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 57.00 2dkp h ASP 116 Cb 0.23 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2dkp h ASP 116 CO -0.12 0.27 -0.33 0.00 -1.61 0.00 0.00 179.24 177.44 2dkp h ALA 117 N 1.46 0.07 -0.63 -0.78 0.00 -1.07 -3.37 119.26 114.95 2dkp h ALA 117 Ca 0.38 -0.67 0.13 0.00 0.00 0.00 0.00 54.91 54.75 2dkp h ALA 117 Cb 0.43 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2dkp h ALA 117 CO -0.29 0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.25 2dkp h ALA 118 N -0.18 0.72 -1.14 0.00 0.00 -0.47 0.19 119.26 118.37 2dkp h ALA 118 Ca -0.09 0.16 0.33 0.00 0.00 0.00 0.00 54.91 55.31 2dkp h ALA 118 Cb 1.04 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2dkp h ALA 118 CO -0.06 -0.34 0.83 1.37 0.00 0.00 0.00 179.25 181.06 2dkp h LEU 119 N 0.21 0.00 -9.56 0.00 8.10 -0.67 -3.40 115.31 109.99 2dkp h LEU 119 Ca 0.33 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.73 2dkp h LEU 119 Cb 0.53 0.00 0.10 0.00 -0.44 0.00 0.00 40.66 40.85 2dkp h LEU 119 CO -0.46 0.00 0.34 0.52 -4.11 0.00 0.00 178.44 174.73 2dkp n VAL 120 N -4.16 1.72 -3.79 0.15 0.31 0.66 -4.95 118.33 108.27 2dkp n VAL 120 Ca 0.24 -0.43 -0.34 0.00 -0.01 0.00 0.00 64.34 63.81 2dkp n VAL 120 Cb 1.21 -1.24 -0.11 0.00 -0.91 0.00 0.00 33.84 32.80 2dkp n VAL 120 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2dkp s GLN 121 N -1.35 2.47 -0.25 5.55 -0.21 -1.26 -4.76 119.66 119.84 2dkp s GLN 121 Ca 0.61 -2.73 0.15 0.00 0.02 0.00 0.00 55.36 53.41 2dkp s GLN 121 Cb -0.67 -3.61 0.48 0.00 1.00 0.00 0.00 33.01 30.21 2dkp s GLN 121 CO 0.58 -1.18 1.16 -2.37 -2.12 0.00 0.00 175.29 171.36 2dkp n THR 122 N 3.09 1.84 -4.30 -0.19 5.66 -1.26 -5.07 114.28 114.05 2dkp n THR 122 Ca 0.10 -3.42 -0.17 0.00 -3.05 0.00 0.00 64.05 57.50 2dkp n THR 122 Cb 0.36 0.06 -0.09 0.00 -1.55 0.00 0.00 70.33 69.10 2dkp n THR 122 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dkp s SER 123 N -3.57 1.17 1.03 1.09 0.15 -1.26 -5.06 113.70 107.25 2dkp s SER 123 Ca 0.39 -1.51 -0.04 0.00 0.70 0.00 0.00 55.95 55.49 2dkp s SER 123 Cb 0.37 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 65.10 2dkp s SER 123 CO -0.01 -0.87 0.27 0.61 1.20 0.00 0.00 173.24 174.44 2dkp n GLY 124 N -0.49 -1.93 1.50 9.45 0.00 -1.26 -4.87 105.19 107.59 2dkp n GLY 124 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2dkp n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkp n PRO 125 N -1.98 0.90 -3.16 1.61 -0.04 -1.26 -4.81 135.00 126.25 2dkp n PRO 125 Ca 0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 2dkp n PRO 125 Cb 0.13 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 2dkp n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dkp s SER 126 N 1.91 6.25 -0.18 3.54 1.04 -1.26 -5.01 113.70 119.99 2dkp s SER 126 Ca 0.00 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 2dkp s SER 126 Cb 0.00 -2.29 0.08 0.00 0.10 0.00 0.00 66.02 63.90 2dkp s SER 126 CO 0.00 -0.82 0.40 -0.55 0.98 0.00 0.00 173.24 173.26 2dkp s SER 127 N 2.33 -0.31 0.00 7.02 0.15 -1.26 -4.78 113.70 116.84 2dkp s SER 127 Ca 0.17 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2dkp s SER 127 Cb -0.17 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 2dkp s SER 127 CO 0.15 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.98