#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k52 s ASP 2 N 0.00 0.02 -0.08 6.12 2.15 -1.26 -5.03 116.67 118.60 2k52 s ASP 2 Ca 0.00 -0.04 0.04 0.00 0.43 0.00 0.00 52.55 52.98 2k52 s ASP 2 Cb 0.00 0.02 -0.00 0.00 -0.30 0.00 0.00 42.92 42.64 2k52 s ASP 2 CO 0.00 -0.04 -0.22 -0.69 -0.17 0.00 0.00 175.17 174.05 2k52 s VAL 3 N -0.17 1.86 0.21 1.11 1.01 -1.26 -5.13 120.40 118.03 2k52 s VAL 3 Ca -0.02 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.15 2k52 s VAL 3 Cb -0.01 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2k52 s VAL 3 CO -0.00 0.52 -0.22 -1.61 0.00 0.00 0.00 175.10 173.78 2k52 s GLU 4 N 0.20 1.58 -0.52 2.72 2.02 -1.26 -4.93 118.70 118.50 2k52 s GLU 4 Ca -0.12 -1.57 -0.26 0.00 0.02 0.00 0.00 54.97 53.03 2k52 s GLU 4 Cb -0.16 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 2k52 s GLU 4 CO 0.06 0.38 2.20 -1.25 0.02 0.00 0.00 175.26 176.68 2k52 s PRO 5 N -2.87 2.33 0.00 0.39 0.04 -1.26 -1.96 135.00 131.66 2k52 s PRO 5 Ca 0.23 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2k52 s PRO 5 Cb -0.07 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2k52 s PRO 5 CO 0.11 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.53 2k52 n GLY 6 N 5.88 1.30 3.79 0.56 0.00 0.29 -4.94 105.19 112.07 2k52 n GLY 6 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 2k52 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k52 s LYS 7 N 0.00 3.25 -0.23 1.61 -0.14 -0.83 -4.67 119.74 118.73 2k52 s LYS 7 Ca 0.00 1.38 -0.08 0.00 -1.36 0.00 0.00 55.97 55.91 2k52 s LYS 7 Cb 0.00 -2.01 -0.04 0.00 -1.68 0.00 0.00 37.83 34.10 2k52 s LYS 7 CO 0.00 -0.89 0.10 -0.06 -0.76 0.00 0.00 175.35 173.74 2k52 s PHE 8 N -2.18 3.18 0.07 3.18 0.40 -1.26 -1.61 117.98 119.75 2k52 s PHE 8 Ca 0.67 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.83 2k52 s PHE 8 Cb -0.19 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 2k52 s PHE 8 CO 0.33 -0.12 0.14 0.71 0.70 0.00 0.00 175.22 176.98 2k52 s TYR 9 N 1.20 0.20 -0.26 0.36 2.02 -0.86 -5.03 117.35 114.99 2k52 s TYR 9 Ca 0.05 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 2k52 s TYR 9 Cb -0.14 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 2k52 s TYR 9 CO 0.04 -0.47 0.30 0.21 -1.57 0.00 0.00 175.55 174.06 2k52 s LYS 10 N -3.48 4.03 0.26 -0.62 2.20 -1.26 -0.63 119.74 120.24 2k52 s LYS 10 Ca 0.02 -0.07 0.11 0.00 -0.36 0.00 0.00 55.97 55.68 2k52 s LYS 10 Cb 0.04 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2k52 s LYS 10 CO -0.09 -0.17 -0.20 0.20 -0.36 0.00 0.00 175.35 174.74 2k52 s GLY 11 N 1.50 1.80 -0.12 5.54 0.00 0.04 -4.73 107.32 111.35 2k52 s GLY 11 Ca 0.13 -1.82 -0.02 0.00 0.00 0.00 0.00 44.72 43.01 2k52 s GLY 11 CO 0.09 -1.90 -0.05 0.54 0.00 0.00 0.00 173.10 171.78 2k52 s VAL 12 N -2.49 3.86 -0.21 1.40 0.11 -0.85 -0.26 120.40 121.97 2k52 s VAL 12 Ca 0.28 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 2k52 s VAL 12 Cb -0.05 -2.64 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 2k52 s VAL 12 CO 0.13 0.54 1.51 -0.69 -3.33 0.00 0.00 175.10 173.27 2k52 s VAL 13 N -0.16 3.84 -0.19 2.04 1.01 -0.27 -2.30 120.40 124.37 2k52 s VAL 13 Ca 0.03 0.97 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 2k52 s VAL 13 Cb -0.13 -3.80 -0.21 0.00 0.00 0.00 0.00 36.38 32.24 2k52 s VAL 13 CO 0.03 -0.28 0.37 0.71 0.00 0.00 0.00 175.10 175.92 2k52 h THR 14 N 5.95 1.16 -3.00 3.92 1.35 -1.29 -1.17 112.91 119.83 2k52 h THR 14 Ca -0.32 -2.21 -0.08 0.00 -0.55 0.00 0.00 66.41 63.25 2k52 h THR 14 Cb 1.14 2.53 -0.17 0.00 -1.73 0.00 0.00 68.15 69.91 2k52 h THR 14 CO 1.00 0.39 -0.12 0.00 -0.25 0.00 0.00 175.52 176.54 2k52 s ARG 15 N -2.32 0.89 -0.24 4.72 1.70 -1.24 -4.80 118.95 117.67 2k52 s ARG 15 Ca -0.26 -0.32 -0.09 0.00 -0.47 0.00 0.00 55.73 54.59 2k52 s ARG 15 Cb 0.03 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 2k52 s ARG 15 CO 0.61 -0.30 0.12 0.42 -1.08 0.00 0.00 175.30 175.07 2k52 s ILE 16 N -2.28 4.92 0.58 4.99 -1.09 -1.26 -1.92 121.20 125.14 2k52 s ILE 16 Ca -0.06 0.03 0.10 0.00 -2.23 0.00 0.00 60.65 58.48 2k52 s ILE 16 Cb -0.01 -3.29 0.09 0.00 -1.58 0.00 0.00 42.46 37.67 2k52 s ILE 16 CO -0.01 0.35 0.80 -1.61 -1.23 0.00 0.00 174.94 173.24 2k52 s GLU 17 N 1.22 2.27 0.23 2.79 0.41 1.00 -5.01 118.70 121.61 2k52 s GLU 17 Ca 0.06 -1.68 0.17 0.00 -0.41 0.00 0.00 54.97 53.12 2k52 s GLU 17 Cb -0.14 -2.63 0.04 0.00 -1.78 0.00 0.00 34.13 29.61 2k52 s GLU 17 CO 0.05 -0.90 1.26 0.87 -0.49 0.00 0.00 175.26 176.05 2k52 h LYS 18 N 0.15 0.00 -0.01 1.61 1.57 -2.01 -3.35 116.57 114.53 2k52 h LYS 18 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2k52 h LYS 18 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2k52 h LYS 18 CO 0.41 0.33 -0.51 2.48 -0.57 0.00 0.00 179.45 181.59 2k52 n TYR 19 N -3.06 0.00 -3.19 -1.35 4.11 -1.26 -5.06 117.16 107.35 2k52 n TYR 19 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 2k52 n TYR 19 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.06 2k52 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k52 n GLY 20 N 1.24 -1.07 2.75 -7.48 0.00 -1.26 -4.41 105.19 94.97 2k52 n GLY 20 Ca 0.05 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2k52 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k52 s ALA 21 N -1.00 0.21 0.03 4.61 0.00 0.21 -0.00 121.76 125.82 2k52 s ALA 21 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 2k52 s ALA 21 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2k52 s ALA 21 CO 0.00 -0.23 1.11 -0.06 0.00 0.00 0.00 175.76 176.58 2k52 s PHE 22 N 1.43 3.52 -0.06 0.00 0.08 -0.81 -0.41 117.98 121.73 2k52 s PHE 22 Ca -0.04 1.46 0.01 0.00 0.12 0.00 0.00 56.93 58.48 2k52 s PHE 22 Cb -0.13 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 2k52 s PHE 22 CO -0.03 -0.76 -0.08 0.42 -0.10 0.00 0.00 175.22 174.68 2k52 s ILE 23 N 1.10 0.82 -0.15 0.64 1.01 -0.32 -0.78 121.20 123.53 2k52 s ILE 23 Ca 0.56 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 2k52 s ILE 23 Cb -0.26 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2k52 s ILE 23 CO 0.28 0.29 0.00 0.20 0.00 0.00 0.00 174.94 175.72 2k52 s ASN 24 N 0.89 5.17 -0.08 3.58 0.01 -0.97 -0.24 114.94 123.30 2k52 s ASN 24 Ca -0.11 0.01 0.09 0.00 -0.71 0.00 0.00 52.86 52.14 2k52 s ASN 24 Cb -0.15 -1.76 -0.24 0.00 0.41 0.00 0.00 41.25 39.52 2k52 s ASN 24 CO 0.01 0.23 0.53 0.18 -1.51 0.00 0.00 177.10 176.53 2k52 n LEU 25 N 3.16 1.15 -3.89 0.60 4.77 -0.53 -2.00 117.00 120.26 2k52 n LEU 25 Ca -0.17 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2k52 n LEU 25 Cb 0.53 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2k52 n LEU 25 CO 0.32 0.50 0.41 0.21 -1.33 0.00 0.00 177.39 177.50 2k52 s ASN 26 N -6.21 -0.20 0.14 -1.43 2.47 -1.17 -4.92 114.94 103.62 2k52 s ASN 26 Ca -0.09 -0.71 -0.27 0.00 0.42 0.00 0.00 52.86 52.21 2k52 s ASN 26 Cb 0.08 0.70 -0.06 0.00 -1.45 0.00 0.00 41.25 40.52 2k52 s ASN 26 CO 0.81 -1.32 1.37 1.21 -3.72 0.00 0.00 177.10 175.45 2k52 n GLU 27 N -0.45 -0.38 -0.31 0.43 2.13 -1.26 -1.02 120.64 119.78 2k52 n GLU 27 Ca -0.04 1.34 0.11 0.00 0.66 0.00 0.00 57.16 59.24 2k52 n GLU 27 Cb 0.60 -1.98 0.29 0.00 0.27 0.00 0.00 31.44 30.62 2k52 n GLU 27 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2k52 n GLN 28 N -5.06 2.54 -3.65 5.31 1.13 -1.26 -4.84 117.38 111.56 2k52 n GLN 28 Ca 0.02 -2.38 -0.39 0.00 -1.94 0.00 0.00 57.00 52.31 2k52 n GLN 28 Cb 0.23 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 28.95 2k52 n GLN 28 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2k52 s VAL 29 N -1.18 3.89 0.05 5.09 1.01 -0.19 -5.08 120.40 124.00 2k52 s VAL 29 Ca 0.44 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.73 2k52 s VAL 29 Cb 0.23 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2k52 s VAL 29 CO 0.31 -0.63 -0.02 -0.60 0.00 0.00 0.00 175.10 174.16 2k52 s ARG 30 N 1.31 2.60 0.37 2.72 3.00 -1.26 -1.46 118.95 126.23 2k52 s ARG 30 Ca 0.05 -0.75 -0.06 0.00 -1.00 0.00 0.00 55.73 53.97 2k52 s ARG 30 Cb -0.24 -2.56 0.02 0.00 0.00 0.00 0.00 34.95 32.17 2k52 s ARG 30 CO -0.01 0.58 0.59 0.20 0.00 0.00 0.00 175.30 176.65 2k52 s GLY 31 N -1.90 1.21 -0.03 8.12 0.00 0.66 -4.49 107.32 110.89 2k52 s GLY 31 Ca 0.22 -1.32 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 2k52 s GLY 31 CO 0.13 -0.80 0.02 -2.27 0.00 0.00 0.00 173.10 170.19 2k52 s LEU 32 N -3.20 0.95 -0.12 0.66 2.96 0.89 -1.17 118.68 119.63 2k52 s LEU 32 Ca 0.26 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 2k52 s LEU 32 Cb -0.02 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.46 2k52 s LEU 32 CO 0.18 -0.14 0.23 -0.22 -1.32 0.00 0.00 176.35 175.09 2k52 s LEU 33 N 1.26 4.33 0.03 -0.68 2.96 0.45 -0.34 118.68 126.70 2k52 s LEU 33 Ca -0.07 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2k52 s LEU 33 Cb -0.13 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 2k52 s LEU 33 CO -0.03 0.26 -0.02 -0.13 -1.32 0.00 0.00 176.35 175.11 2k52 s ARG 34 N -0.36 2.62 0.12 1.98 0.52 -1.25 -0.61 118.95 121.97 2k52 s ARG 34 Ca 0.16 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 2k52 s ARG 34 Cb -0.13 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 2k52 s ARG 34 CO 0.05 0.59 1.62 -1.00 0.02 0.00 0.00 175.30 176.58 2k52 h PRO 35 N 4.09 0.63 0.00 3.54 0.13 -1.96 -2.95 132.00 135.49 2k52 h PRO 35 Ca -0.48 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2k52 h PRO 35 Cb 1.17 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k52 h PRO 35 CO 0.57 0.66 0.00 0.00 -0.23 0.00 0.00 178.00 179.00 2k52 h ARG 36 N 0.49 0.00 -0.27 0.86 3.08 -1.97 -1.97 114.38 114.60 2k52 h ARG 36 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2k52 h ARG 36 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2k52 h ARG 36 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2k52 n ASP 37 N -2.74 1.73 -4.95 7.04 9.92 -1.11 -4.88 116.55 121.55 2k52 n ASP 37 Ca 0.02 -1.87 -0.24 0.00 -0.53 0.00 0.00 54.79 52.17 2k52 n ASP 37 Cb 0.31 -0.18 0.02 0.00 -0.64 0.00 0.00 41.12 40.63 2k52 n ASP 37 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2k52 s MET 38 N -1.65 2.90 0.00 -1.24 -1.94 -0.74 -2.00 119.30 114.63 2k52 s MET 38 Ca 0.27 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.82 2k52 s MET 38 Cb 0.14 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.52 2k52 s MET 38 CO 0.20 -0.49 0.00 -0.89 -0.01 0.00 0.00 175.02 173.83 2k52 n ILE 39 N -2.28 0.00 -0.05 2.53 2.08 -1.26 -4.95 119.36 115.43 2k52 n ILE 39 Ca 0.04 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.13 2k52 n ILE 39 Cb 0.58 -0.71 -0.13 0.00 -0.75 0.00 0.00 39.64 38.63 2k52 n ILE 39 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2k52 n SER 40 N -1.18 1.99 -4.72 4.38 2.88 -1.26 -4.91 113.62 110.79 2k52 n SER 40 Ca 0.00 0.32 -0.41 0.00 -1.33 0.00 0.00 58.87 57.45 2k52 n SER 40 Cb 0.00 -0.91 -0.04 0.00 -0.75 0.00 0.00 64.21 62.51 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2k52 s LEU 41 N -7.48 4.45 0.31 2.46 1.43 -1.26 -5.07 118.68 113.52 2k52 s LEU 41 Ca -0.26 1.74 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 2k52 s LEU 41 Cb 0.06 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2k52 s LEU 41 CO 0.67 -0.14 0.43 -0.13 0.23 0.00 0.00 176.35 177.41 2k52 s ARG 42 N 0.38 3.19 0.31 1.70 1.81 -1.26 -4.78 118.95 120.29 2k52 s ARG 42 Ca 0.49 -0.96 0.06 0.00 -1.72 0.00 0.00 55.73 53.60 2k52 s ARG 42 Cb -0.22 -2.82 0.72 0.00 -0.45 0.00 0.00 34.95 32.18 2k52 s ARG 42 CO 0.29 0.17 1.82 -0.07 -0.68 0.00 0.00 175.30 176.83 2k52 h LEU 43 N 1.00 0.78 -2.16 2.53 3.38 -1.95 -0.55 115.31 118.34 2k52 h LEU 43 Ca -0.47 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k52 h LEU 43 Cb 1.25 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k52 h LEU 43 CO 0.55 0.35 -0.02 -0.33 0.09 0.00 0.00 178.44 179.08 2k52 h GLU 44 N 0.80 0.00 0.00 1.13 5.08 -1.95 -2.12 114.58 117.53 2k52 h GLU 44 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2k52 h GLU 44 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k52 h GLU 44 CO -0.30 0.02 -0.75 0.09 -1.00 0.00 0.00 179.01 177.07 2k52 n ASN 45 N -4.18 0.70 -4.70 1.42 3.02 -0.23 -4.91 115.26 106.37 2k52 n ASN 45 Ca -0.03 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 2k52 n ASN 45 Cb 0.11 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 2k52 n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k52 s LEU 46 N -3.11 4.33 0.12 3.41 1.43 -0.80 -4.96 118.68 119.09 2k52 s LEU 46 Ca 0.09 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 2k52 s LEU 46 Cb 0.17 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 2k52 s LEU 46 CO 0.78 -0.35 0.12 0.20 0.23 0.00 0.00 176.35 177.33 2k52 s ASN 47 N 1.06 5.61 -0.14 2.29 0.02 -1.26 -4.91 114.94 117.61 2k52 s ASN 47 Ca 0.51 -0.04 -0.29 0.00 -1.02 0.00 0.00 52.86 52.02 2k52 s ASN 47 Cb -0.21 -1.51 -0.05 0.00 0.02 0.00 0.00 41.25 39.50 2k52 s ASN 47 CO 0.25 0.12 1.84 -0.69 0.02 0.00 0.00 177.10 178.64 2k52 s VAL 48 N -1.58 3.36 0.00 1.60 1.01 -1.26 -2.17 120.40 121.37 2k52 s VAL 48 Ca 0.31 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2k52 s VAL 48 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2k52 s VAL 48 CO 0.23 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2k52 n GLY 49 N 4.83 1.50 3.62 4.51 0.00 -0.44 -5.03 105.19 114.18 2k52 n GLY 49 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2k52 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k52 s ASP 50 N -1.94 6.10 -0.58 1.61 1.01 -0.92 -4.73 116.67 117.21 2k52 s ASP 50 Ca 0.00 1.73 -0.21 0.00 0.71 0.00 0.00 52.55 54.78 2k52 s ASP 50 Cb 0.00 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.47 2k52 s ASP 50 CO 0.00 -1.47 0.80 -1.61 0.21 0.00 0.00 175.17 173.10 2k52 s GLU 51 N 5.20 3.13 0.01 8.23 2.02 -1.26 -1.12 118.70 134.91 2k52 s GLU 51 Ca 0.81 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.95 2k52 s GLU 51 Cb -0.28 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.74 2k52 s GLU 51 CO 0.33 -1.52 -0.06 0.42 0.02 0.00 0.00 175.26 174.45 2k52 s ILE 52 N 3.28 3.73 -0.44 -1.63 1.01 0.64 -4.87 121.20 122.92 2k52 s ILE 52 Ca 0.19 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 2k52 s ILE 52 Cb -0.19 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2k52 s ILE 52 CO 0.11 0.38 0.99 -0.63 0.00 0.00 0.00 174.94 175.80 2k52 s ILE 53 N -1.02 4.42 0.18 2.92 1.01 -1.26 -0.78 121.20 126.66 2k52 s ILE 53 Ca 0.18 1.01 0.10 0.00 0.00 0.00 0.00 60.65 61.93 2k52 s ILE 53 Cb -0.11 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2k52 s ILE 53 CO 0.08 -0.82 -0.20 0.68 0.00 0.00 0.00 174.94 174.68 2k52 s VAL 54 N 3.91 2.02 -0.17 2.92 -7.23 0.19 -4.04 120.40 118.00 2k52 s VAL 54 Ca 0.41 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 2k52 s VAL 54 Cb -0.10 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2k52 s VAL 54 CO 0.26 -0.24 0.07 -1.58 -0.31 0.00 0.00 175.10 173.30 2k52 s GLN 55 N -2.73 3.86 -0.19 4.82 0.74 -0.48 -2.03 119.66 123.65 2k52 s GLN 55 Ca 0.17 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.97 2k52 s GLN 55 Cb -0.07 -3.19 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 2k52 s GLN 55 CO 0.08 0.36 1.45 0.00 -0.55 0.00 0.00 175.29 176.63 2k52 s ALA 56 N 0.12 3.48 -0.00 1.58 0.00 -0.63 -0.06 121.76 126.25 2k52 s ALA 56 Ca 0.05 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 2k52 s ALA 56 Cb -0.12 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 2k52 s ALA 56 CO 0.00 -1.57 0.54 0.82 0.00 0.00 0.00 175.76 175.56 2k52 h ILE 57 N 5.80 0.00 -3.81 0.00 2.04 -0.76 0.83 117.51 121.61 2k52 h ILE 57 Ca -0.31 -0.09 -0.46 0.00 1.00 0.00 0.00 64.86 65.00 2k52 h ILE 57 Cb 1.13 0.00 -0.31 0.00 -0.74 0.00 0.00 36.82 36.90 2k52 h ILE 57 CO 0.99 0.00 -0.80 -1.81 0.00 0.00 0.00 178.15 176.53 2k52 s ASP 58 N -2.90 1.46 -0.42 1.72 1.01 -1.22 -4.06 116.67 112.26 2k52 s ASP 58 Ca -0.02 -0.23 -0.07 0.00 0.71 0.00 0.00 52.55 52.94 2k52 s ASP 58 Cb 0.00 -0.42 0.09 0.00 1.01 0.00 0.00 42.92 43.61 2k52 s ASP 58 CO 0.05 0.08 0.25 -0.69 0.21 0.00 0.00 175.17 175.07 2k52 s VAL 59 N 0.19 3.96 -0.55 -1.27 1.01 -1.26 -1.72 120.40 120.76 2k52 s VAL 59 Ca -0.04 -1.60 -0.13 0.00 0.00 0.00 0.00 61.98 60.22 2k52 s VAL 59 Cb -0.10 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.92 2k52 s VAL 59 CO 0.01 -0.57 0.47 -0.13 0.00 0.00 0.00 175.10 174.88 2k52 s ARG 60 N 1.35 2.85 0.28 2.72 0.52 -0.26 -4.85 118.95 121.56 2k52 s ARG 60 Ca 0.04 -1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 53.39 2k52 s ARG 60 Cb -0.23 -4.15 0.40 0.00 0.52 0.00 0.00 34.95 31.48 2k52 s ARG 60 CO 0.00 -1.27 1.80 -1.00 0.02 0.00 0.00 175.30 174.86 2k52 h PRO 61 N 8.53 0.78 -0.71 3.54 0.13 -1.94 0.88 132.00 143.20 2k52 h PRO 61 Ca -0.21 -0.18 0.13 0.00 -0.87 0.00 0.00 66.00 64.87 2k52 h PRO 61 Cb 1.08 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.06 2k52 h PRO 61 CO 0.93 0.74 0.47 1.05 -0.23 0.00 0.00 178.00 180.96 2k52 h GLU 62 N 0.74 0.41 0.00 0.86 4.11 -1.97 -2.19 114.58 116.54 2k52 h GLU 62 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2k52 h GLU 62 Cb 0.36 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k52 h GLU 62 CO 0.01 0.27 -0.80 1.63 0.07 0.00 0.00 179.01 180.19 2k52 n LYS 63 N -4.47 2.21 -2.66 1.06 4.76 -0.81 -4.99 118.16 113.25 2k52 n LYS 63 Ca 0.13 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 2k52 n LYS 63 Cb 0.47 -1.17 -0.00 0.00 -1.84 0.00 0.00 35.03 32.49 2k52 n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k52 n ARG 64 N -1.42 -2.68 -4.34 1.97 1.74 0.30 -4.98 116.66 107.24 2k52 n ARG 64 Ca 0.02 0.71 -0.34 0.00 -0.77 0.00 0.00 57.85 57.47 2k52 n ARG 64 Cb 0.23 -5.38 -0.09 0.00 -1.02 0.00 0.00 32.46 26.20 2k52 n ARG 64 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k52 s GLU 65 N -5.29 2.95 -0.13 5.56 2.02 -0.99 -4.94 118.70 117.88 2k52 s GLU 65 Ca 0.11 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2k52 s GLU 65 Cb -0.05 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.43 2k52 s GLU 65 CO 0.13 0.68 -0.12 0.42 0.02 0.00 0.00 175.26 176.39 2k52 s ILE 66 N -0.95 1.39 -0.06 -1.63 1.01 -1.26 -1.10 121.20 118.60 2k52 s ILE 66 Ca 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2k52 s ILE 66 Cb -0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 2k52 s ILE 66 CO 0.05 0.43 0.04 -1.81 0.00 0.00 0.00 174.94 173.65 2k52 s ASP 67 N 1.44 5.49 0.35 3.58 1.01 -0.70 -0.08 116.67 127.77 2k52 s ASP 67 Ca 0.02 0.18 0.08 0.00 0.71 0.00 0.00 52.55 53.54 2k52 s ASP 67 Cb -0.13 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.17 2k52 s ASP 67 CO -0.08 0.35 0.12 -0.36 0.21 0.00 0.00 175.17 175.40 2k52 s PHE 68 N -1.00 2.65 0.03 4.23 0.08 0.54 -0.06 117.98 124.45 2k52 s PHE 68 Ca 0.16 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.81 2k52 s PHE 68 Cb -0.12 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2k52 s PHE 68 CO 0.06 0.34 -0.09 0.21 -0.10 0.00 0.00 175.22 175.64 2k52 s LYS 69 N -3.83 0.61 -0.35 0.44 2.20 0.92 -3.91 119.74 115.82 2k52 s LYS 69 Ca 0.38 -0.64 -0.23 0.00 -0.36 0.00 0.00 55.97 55.12 2k52 s LYS 69 Cb -0.01 -0.50 0.01 0.00 -1.51 0.00 0.00 37.83 35.82 2k52 s LYS 69 CO 0.22 0.11 0.75 -0.47 -0.36 0.00 0.00 175.35 175.60 2k52 s TYR 70 N -0.98 3.14 0.10 4.03 6.14 -0.84 -1.39 117.35 127.55 2k52 s TYR 70 Ca -0.04 0.56 0.06 0.00 0.64 0.00 0.00 57.07 58.28 2k52 s TYR 70 Cb -0.08 -3.30 -0.04 0.00 0.42 0.00 0.00 41.96 38.96 2k52 s TYR 70 CO 0.01 -0.67 -0.04 0.96 0.64 0.00 0.00 175.55 176.44 2k52 s ILE 71 N 2.98 3.74 -0.78 3.14 -4.36 -1.26 -4.47 121.20 120.18 2k52 s ILE 71 Ca 0.30 -1.12 -0.25 0.00 -0.26 0.00 0.00 60.65 59.32 2k52 s ILE 71 Cb -0.14 -2.77 -0.07 0.00 1.25 0.00 0.00 42.46 40.73 2k52 s ILE 71 CO 0.15 0.11 2.13 -2.84 0.24 0.00 0.00 174.94 174.74 2k52 s PRO 72 N -2.28 2.21 0.56 0.37 0.02 -1.26 -4.91 135.00 129.71 2k52 s PRO 72 Ca 0.24 0.26 -0.18 0.00 0.02 0.00 0.00 61.00 61.34 2k52 s PRO 72 Cb -0.11 -4.83 -0.05 0.00 0.02 0.00 0.00 34.50 29.53 2k52 s PRO 72 CO 0.16 -3.62 1.10 -0.48 -0.33 0.00 0.00 177.00 173.83 2k52 s LEU 73 N 11.68 3.68 0.00 -5.54 2.34 -1.26 -5.19 118.68 124.39 2k52 s LEU 73 Ca 0.80 2.05 0.00 0.00 0.06 0.00 0.00 54.13 57.03 2k52 s LEU 73 Cb -0.11 -4.57 0.00 0.00 -0.56 0.00 0.00 46.19 40.96 2k52 s LEU 73 CO 0.08 -1.18 0.25 -1.84 -1.06 0.00 0.00 176.35 172.60