#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5u n LEU 3 N 0.00 1.86 0.08 0.99 -0.00 -1.26 -4.97 117.00 113.70 2k5u n LEU 3 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 2k5u n LEU 3 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 2k5u n LEU 3 CO 0.00 -0.13 -0.03 0.33 -0.00 0.00 0.00 177.39 177.55 2k5u n PHE 4 N -4.51 -1.33 -2.30 1.96 7.35 -1.26 -5.11 117.46 112.27 2k5u n PHE 4 Ca -0.20 0.23 -0.31 0.00 -0.76 0.00 0.00 57.45 56.42 2k5u n PHE 4 Cb 0.48 0.47 -0.01 0.00 0.35 0.00 0.00 39.48 40.77 2k5u n PHE 4 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k5u s ALA 5 N -2.00 3.17 -0.15 3.13 0.00 -1.26 -5.01 121.76 119.64 2k5u s ALA 5 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2k5u s ALA 5 Cb 0.00 -2.97 -0.23 0.00 0.00 0.00 0.00 23.12 19.92 2k5u s ALA 5 CO 0.00 -0.38 0.25 -1.13 0.00 0.00 0.00 175.76 174.50 2k5u n SER 6 N -2.06 1.52 -1.69 0.00 3.41 -1.26 -3.81 113.62 109.73 2k5u n SER 6 Ca 0.05 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2k5u n SER 6 Cb 0.54 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2k5u n SER 6 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k5u n LYS 7 N -3.23 -4.68 0.00 4.33 5.02 -1.26 -4.50 118.16 113.84 2k5u n LYS 7 Ca -0.32 3.38 0.00 0.00 -2.02 0.00 0.00 58.31 59.35 2k5u n LYS 7 Cb 1.05 -3.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.37 2k5u n LYS 7 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k5u n LEU 8 N 0.64 0.00 -1.93 -0.35 7.94 -1.26 -2.99 117.00 119.05 2k5u n LEU 8 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 2k5u n LEU 8 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 2k5u n LEU 8 CO 0.00 -0.29 1.20 0.33 -1.11 0.00 0.00 177.39 177.52 2k5u n PHE 9 N 0.00 1.87 -2.34 1.96 7.35 -1.26 -4.94 117.46 120.11 2k5u n PHE 9 Ca 0.00 -1.99 0.00 0.00 -0.76 0.00 0.00 57.45 54.70 2k5u n PHE 9 Cb 0.00 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 38.86 2k5u n PHE 9 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k5u n SER 10 N -0.03 -9.49 -3.89 -2.13 7.64 -1.16 -4.97 113.62 99.59 2k5u n SER 10 Ca 0.36 1.84 -0.15 0.00 1.01 0.00 0.00 58.87 61.93 2k5u n SER 10 Cb 0.72 -5.21 -0.09 0.00 -1.01 0.00 0.00 64.21 58.62 2k5u n SER 10 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2k5u s ASN 11 N -0.59 0.68 -0.05 6.43 -0.87 -1.26 -4.84 114.94 114.44 2k5u s ASN 11 Ca 0.00 -1.51 0.08 0.00 -1.57 0.00 0.00 52.86 49.86 2k5u s ASN 11 Cb 0.00 0.45 0.12 0.00 -0.02 0.00 0.00 41.25 41.80 2k5u s ASN 11 CO 0.00 -0.93 1.06 0.18 -2.57 0.00 0.00 177.10 174.83 2k5u n LEU 12 N -0.40 0.95 0.00 0.60 4.32 -1.26 -5.04 117.00 116.17 2k5u n LEU 12 Ca 0.04 -1.84 0.00 0.00 -0.02 0.00 0.00 56.01 54.19 2k5u n LEU 12 Cb 0.65 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 2k5u n LEU 12 CO 0.32 0.43 0.00 0.49 -1.22 0.00 0.00 177.39 177.42 2k5u n PHE 13 N -0.58 0.00 -3.61 -1.77 3.72 -1.26 -4.33 117.46 109.63 2k5u n PHE 13 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.08 2k5u n PHE 13 Cb 0.67 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.14 2k5u n PHE 13 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k5u s GLY 14 N 0.00 2.69 -1.11 1.37 0.00 -1.25 -5.00 107.32 104.02 2k5u s GLY 14 Ca 0.00 -3.43 -0.12 0.00 0.00 0.00 0.00 44.72 41.17 2k5u s GLY 14 CO 0.00 1.16 1.21 -1.31 0.00 0.00 0.00 173.10 174.16 2k5u s ASN 15 N 0.81 7.12 -0.50 1.64 -0.87 -1.26 -4.90 114.94 116.98 2k5u s ASN 15 Ca 0.20 -3.15 -0.06 0.00 -1.57 0.00 0.00 52.86 48.28 2k5u s ASN 15 Cb -0.15 -2.30 -0.09 0.00 -0.02 0.00 0.00 41.25 38.69 2k5u s ASN 15 CO -0.06 -0.56 3.11 0.29 -2.57 0.00 0.00 177.10 177.30 2k5u n LYS 16 N 4.29 2.64 -2.03 -0.60 5.02 -1.26 -4.84 118.16 121.37 2k5u n LYS 16 Ca 0.28 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2k5u n LYS 16 Cb 0.42 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2k5u n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k5u n GLU 17 N 1.95 -4.35 -3.68 1.97 4.71 -1.26 -5.06 120.64 114.92 2k5u n GLU 17 Ca 0.52 3.23 -0.16 0.00 -0.01 0.00 0.00 57.16 60.74 2k5u n GLU 17 Cb 0.63 -3.87 -0.15 0.00 -1.01 0.00 0.00 31.44 27.04 2k5u n GLU 17 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2k5u s MET 18 N -0.92 0.06 -0.31 3.49 -1.94 -1.26 -4.80 119.30 113.61 2k5u s MET 18 Ca 0.00 0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 54.51 2k5u s MET 18 Cb 0.00 -0.23 0.12 0.00 2.01 0.00 0.00 34.83 36.73 2k5u s MET 18 CO 0.00 -0.28 0.20 1.03 -0.01 0.00 0.00 175.02 175.96 2k5u s ARG 19 N 2.08 0.35 -0.09 2.03 0.52 -1.26 -2.82 118.95 119.76 2k5u s ARG 19 Ca 0.00 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 2k5u s ARG 19 Cb -0.12 -1.10 -0.01 0.00 0.52 0.00 0.00 34.95 34.24 2k5u s ARG 19 CO -0.06 -1.09 0.99 0.42 0.02 0.00 0.00 175.30 175.57 2k5u s ILE 20 N 1.77 4.81 -0.10 1.52 -1.09 -0.62 0.20 121.20 127.68 2k5u s ILE 20 Ca 0.12 2.02 -0.03 0.00 -2.23 0.00 0.00 60.65 60.53 2k5u s ILE 20 Cb -0.18 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2k5u s ILE 20 CO -0.22 0.03 0.01 -0.22 -1.23 0.00 0.00 174.94 173.31 2k5u s LEU 21 N 1.86 3.62 -0.45 2.97 0.20 -0.67 -2.26 118.68 123.95 2k5u s LEU 21 Ca 0.48 0.13 -0.19 0.00 0.69 0.00 0.00 54.13 55.25 2k5u s LEU 21 Cb -0.19 -1.84 0.03 0.00 -0.43 0.00 0.00 46.19 43.77 2k5u s LEU 21 CO 0.19 0.35 0.53 -0.32 -0.29 0.00 0.00 176.35 176.81 2k5u s MET 22 N -0.68 3.14 0.08 1.98 1.75 0.13 -2.04 119.30 123.67 2k5u s MET 22 Ca 0.11 -0.71 0.07 0.00 -1.25 0.00 0.00 55.69 53.91 2k5u s MET 22 Cb -0.12 -4.00 -0.03 0.00 2.84 0.00 0.00 34.83 33.52 2k5u s MET 22 CO 0.02 -0.99 -0.18 0.14 -0.65 0.00 0.00 175.02 173.36 2k5u s VAL 23 N 2.41 1.48 -4.85 10.11 -7.23 -1.12 -1.62 120.40 119.58 2k5u s VAL 23 Ca 0.15 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2k5u s VAL 23 Cb -0.17 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2k5u s VAL 23 CO 0.14 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 2k5u n GLY 24 N 1.29 -2.54 3.77 2.32 0.00 -1.26 -0.79 105.19 107.97 2k5u n GLY 24 Ca -0.20 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2k5u n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k5u s LEU 25 N 0.00 4.16 0.51 0.99 2.96 -1.17 -1.50 118.68 124.63 2k5u s LEU 25 Ca 0.00 2.69 -0.22 0.00 -0.22 0.00 0.00 54.13 56.38 2k5u s LEU 25 Cb 0.00 -3.95 -0.06 0.00 0.50 0.00 0.00 46.19 42.68 2k5u s LEU 25 CO 0.00 -0.95 1.26 -1.81 -1.32 0.00 0.00 176.35 173.52 2k5u s ASP 26 N -0.74 5.70 0.00 3.68 1.01 -1.26 -2.43 116.67 122.62 2k5u s ASP 26 Ca 0.59 2.52 0.00 0.00 0.71 0.00 0.00 52.55 56.37 2k5u s ASP 26 Cb -0.39 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 40.93 2k5u s ASP 26 CO 0.49 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 175.23 2k5u n GLY 27 N 0.58 0.57 0.22 0.21 0.00 -1.26 -4.86 105.19 100.64 2k5u n GLY 27 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2k5u n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5u h ALA 28 N 0.00 1.00 0.00 4.61 0.00 -1.83 -3.45 119.26 119.59 2k5u h ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5u h ALA 28 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k5u h ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2k5u n GLY 29 N -0.35 1.60 0.17 0.00 0.00 -1.26 -4.75 105.19 100.61 2k5u n GLY 29 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2k5u n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k5u h LYS 30 N 0.00 0.00 0.12 1.61 2.10 -1.92 -2.04 116.57 116.44 2k5u h LYS 30 Ca 0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 2k5u h LYS 30 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 2k5u h LYS 30 CO 0.00 0.45 -0.97 1.79 -2.00 0.00 0.00 179.45 178.72 2k5u h THR 31 N 0.00 1.40 0.03 0.07 1.35 -1.96 -2.55 112.91 111.25 2k5u h THR 31 Ca -0.00 -2.44 -0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2k5u h THR 31 Cb 1.02 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 2k5u h THR 31 CO 0.06 0.71 -0.01 0.74 -0.25 0.00 0.00 175.52 176.77 2k5u h THR 32 N -0.08 1.16 -0.59 6.82 2.02 -1.97 -2.89 112.91 117.39 2k5u h THR 32 Ca -0.16 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2k5u h THR 32 Cb 1.71 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.65 2k5u h THR 32 CO 0.18 0.15 0.32 1.62 0.37 0.00 0.00 175.52 178.16 2k5u h VAL 33 N -0.29 1.18 -0.19 3.16 3.04 -1.50 -2.67 116.25 118.98 2k5u h VAL 33 Ca -0.00 -0.47 0.05 0.00 -1.01 0.00 0.00 66.70 65.26 2k5u h VAL 33 Cb 0.27 0.39 -0.05 0.00 -2.01 0.00 0.00 31.29 29.90 2k5u h VAL 33 CO 0.01 0.21 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.60 2k5u h LEU 34 N 0.83 -0.33 -0.95 3.16 4.07 -1.31 -1.59 115.31 119.18 2k5u h LEU 34 Ca 0.21 0.08 0.08 0.00 0.08 0.00 0.00 57.88 58.33 2k5u h LEU 34 Cb 0.04 0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.89 2k5u h LEU 34 CO -0.03 -0.13 0.60 1.88 -1.08 0.00 0.00 178.44 179.68 2k5u h TYR 35 N -0.08 1.11 -0.53 1.13 -1.99 -1.27 -0.21 116.97 115.12 2k5u h TYR 35 Ca 0.11 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.95 2k5u h TYR 35 Cb 0.24 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 38.59 2k5u h TYR 35 CO -0.26 0.53 0.36 -0.22 -0.00 0.00 0.00 178.16 178.57 2k5u h LYS 36 N 1.05 0.35 -0.01 4.88 1.63 -1.11 0.30 116.57 123.66 2k5u h LYS 36 Ca 0.43 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.21 2k5u h LYS 36 Cb 0.26 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2k5u h LYS 36 CO -0.20 0.23 -0.04 1.28 -3.45 0.00 0.00 179.45 177.27 2k5u n LEU 37 N -4.47 0.96 0.00 5.20 4.77 -0.14 -4.96 117.00 118.37 2k5u n LEU 37 Ca 0.08 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2k5u n LEU 37 Cb 0.34 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k5u n LEU 37 CO 0.34 0.16 0.00 0.29 -1.33 0.00 0.00 177.39 176.86 2k5u n LYS 38 N -0.34 0.00 -3.55 3.23 5.02 0.11 -4.72 118.16 117.90 2k5u n LYS 38 Ca 0.19 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.27 2k5u n LYS 38 Cb 0.29 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.37 2k5u n LYS 38 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k5u n LEU 39 N 0.00 -3.61 -0.26 -0.35 7.94 -1.26 -4.70 117.00 114.76 2k5u n LEU 39 Ca 0.00 -0.64 0.07 0.00 -1.11 0.00 0.00 56.01 54.33 2k5u n LEU 39 Cb 0.00 -2.99 0.16 0.00 0.53 0.00 0.00 43.42 41.12 2k5u n LEU 39 CO 0.00 0.47 0.53 0.61 -1.11 0.00 0.00 177.39 177.89 2k5u n GLY 40 N -1.48 -1.12 3.26 -3.96 0.00 -1.26 -4.19 105.19 96.43 2k5u n GLY 40 Ca -0.19 0.76 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 2k5u n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5u s GLU 41 N -5.80 2.17 -0.03 1.61 -1.05 -1.26 -5.13 118.70 109.21 2k5u s GLU 41 Ca -0.10 -0.85 0.06 0.00 -0.15 0.00 0.00 54.97 53.93 2k5u s GLU 41 Cb 0.21 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.91 2k5u s GLU 41 CO 0.57 0.43 -0.21 0.54 0.95 0.00 0.00 175.26 177.55 2k5u s VAL 42 N -0.33 2.51 -0.14 1.83 0.11 -1.26 -4.84 120.40 118.29 2k5u s VAL 42 Ca 0.03 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.09 2k5u s VAL 42 Cb -0.11 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2k5u s VAL 42 CO 0.01 0.58 0.04 -0.63 -3.33 0.00 0.00 175.10 171.77 2k5u s ILE 43 N -0.67 4.63 -0.17 7.04 -1.09 -0.89 -4.97 121.20 125.07 2k5u s ILE 43 Ca 0.11 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2k5u s ILE 43 Cb -0.10 -3.02 0.04 0.00 -1.58 0.00 0.00 42.46 37.80 2k5u s ILE 43 CO -0.00 0.54 -0.07 0.28 -1.23 0.00 0.00 174.94 174.45 2k5u s THR 44 N -0.27 1.28 -0.02 2.92 -1.32 -1.26 -2.16 115.64 114.80 2k5u s THR 44 Ca 0.07 -0.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.89 2k5u s THR 44 Cb -0.12 -1.40 -0.01 0.00 -1.51 0.00 0.00 72.50 69.47 2k5u s THR 44 CO 0.02 0.18 -0.13 0.42 -2.21 0.00 0.00 174.62 172.90 2k5u s THR 45 N 1.56 1.07 -0.42 5.08 -4.23 -1.08 -5.01 115.64 112.62 2k5u s THR 45 Ca 0.01 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 2k5u s THR 45 Cb -0.15 -0.91 0.05 0.00 1.34 0.00 0.00 72.50 72.83 2k5u s THR 45 CO -0.08 0.31 0.28 -0.63 -0.54 0.00 0.00 174.62 173.96 2k5u s ILE 46 N -0.15 4.76 0.18 2.99 1.09 -1.26 -2.60 121.20 126.21 2k5u s ILE 46 Ca 0.02 -1.02 -0.09 0.00 -1.10 0.00 0.00 60.65 58.46 2k5u s ILE 46 Cb -0.07 -3.77 0.08 0.00 -1.06 0.00 0.00 42.46 37.64 2k5u s ILE 46 CO 0.00 -0.41 1.67 1.55 -0.10 0.00 0.00 174.94 177.65 2k5u h PRO 47 N 8.54 1.08 -1.81 2.79 0.13 -1.99 -3.47 132.00 137.28 2k5u h PRO 47 Ca -0.26 -0.31 0.15 0.00 -0.87 0.00 0.00 66.00 64.72 2k5u h PRO 47 Cb 1.10 -0.12 -0.19 0.00 0.13 0.00 0.00 31.00 31.93 2k5u h PRO 47 CO 0.76 1.01 0.62 -0.08 -0.23 0.00 0.00 178.00 180.08 2k5u s THR 48 N -5.15 0.00 0.00 1.56 -1.32 -1.26 -5.06 115.64 104.40 2k5u s THR 48 Ca -0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 2k5u s THR 48 Cb 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2k5u s THR 48 CO 0.85 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.88 2k5u n ILE 49 N 0.09 0.00 -3.08 5.08 2.08 -1.26 -1.74 119.36 120.54 2k5u n ILE 49 Ca -0.06 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.00 2k5u n ILE 49 Cb 0.60 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.44 2k5u n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k5u n GLY 50 N 0.00 5.02 3.40 7.39 0.00 -1.26 -5.05 105.19 114.69 2k5u n GLY 50 Ca 0.00 -2.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.14 2k5u n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5u s PHE 51 N -3.02 2.78 -0.21 1.61 0.40 -0.71 -5.11 117.98 113.72 2k5u s PHE 51 Ca 0.45 -0.49 -0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2k5u s PHE 51 Cb 0.26 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 42.04 2k5u s PHE 51 CO -0.11 -0.08 -0.13 1.21 0.70 0.00 0.00 175.22 176.81 2k5u s ASN 52 N 0.00 3.74 0.03 1.36 3.84 -1.26 -4.00 114.94 118.65 2k5u s ASN 52 Ca -0.04 -0.69 0.09 0.00 0.21 0.00 0.00 52.86 52.43 2k5u s ASN 52 Cb -0.14 -1.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.95 2k5u s ASN 52 CO 0.04 -0.05 -0.26 0.54 -2.79 0.00 0.00 177.10 174.58 2k5u s VAL 53 N 1.33 2.14 0.06 -5.21 0.11 -1.07 -4.96 120.40 112.80 2k5u s VAL 53 Ca 0.03 -1.34 0.04 0.00 -2.93 0.00 0.00 61.98 57.79 2k5u s VAL 53 Cb -0.15 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 2k5u s VAL 53 CO -0.08 0.40 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.35 2k5u s GLU 54 N -1.13 2.51 -0.05 1.54 2.12 -1.12 -2.65 118.70 119.93 2k5u s GLU 54 Ca 0.11 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 2k5u s GLU 54 Cb -0.10 -2.51 0.04 0.00 0.26 0.00 0.00 34.13 31.82 2k5u s GLU 54 CO 0.02 0.56 0.11 0.99 -0.54 0.00 0.00 175.26 176.40 2k5u s THR 55 N -1.18 -0.06 -0.02 -1.70 2.01 -0.92 0.34 115.64 114.11 2k5u s THR 55 Ca 0.22 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.47 2k5u s THR 55 Cb -0.11 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 2k5u s THR 55 CO 0.13 0.08 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.30 2k5u s VAL 56 N 1.22 1.24 -0.25 3.82 1.01 -0.28 -2.09 120.40 125.07 2k5u s VAL 56 Ca -0.08 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2k5u s VAL 56 Cb -0.12 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.25 2k5u s VAL 56 CO -0.05 0.35 -0.09 -1.58 0.00 0.00 0.00 175.10 173.74 2k5u s GLN 57 N -0.28 2.66 -0.45 2.72 2.00 -1.26 -1.18 119.66 123.87 2k5u s GLN 57 Ca 0.04 -1.09 -0.09 0.00 -2.00 0.00 0.00 55.36 52.23 2k5u s GLN 57 Cb -0.07 -2.92 0.10 0.00 0.80 0.00 0.00 33.01 30.92 2k5u s GLN 57 CO -0.00 -0.44 0.31 0.71 -0.50 0.00 0.00 175.29 175.37 2k5u s TYR 58 N 1.25 3.40 0.00 1.67 2.02 -0.88 -4.91 117.35 119.90 2k5u s TYR 58 Ca -0.02 -1.76 0.00 0.00 -0.37 0.00 0.00 57.07 54.92 2k5u s TYR 58 Cb -0.17 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.10 2k5u s TYR 58 CO -0.05 -0.94 0.00 1.63 -1.57 0.00 0.00 175.55 174.62 2k5u n LYS 59 N 4.90 0.00 0.00 -0.62 4.01 -1.26 -1.65 118.16 123.55 2k5u n LYS 59 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 2k5u n LYS 59 Cb 0.42 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 2k5u n LYS 59 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2k5u n ASN 60 N 1.65 2.54 -4.77 4.39 3.02 -1.26 -5.07 115.26 115.77 2k5u n ASN 60 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2k5u n ASN 60 Cb 0.00 0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 2k5u n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k5u s ILE 61 N -1.56 2.59 0.02 2.41 1.01 -0.66 -5.00 121.20 120.02 2k5u s ILE 61 Ca 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 2k5u s ILE 61 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2k5u s ILE 61 CO 0.00 0.10 0.16 -0.55 0.00 0.00 0.00 174.94 174.65 2k5u s SER 62 N -0.64 6.16 -0.04 3.58 0.15 -1.13 -2.08 113.70 119.71 2k5u s SER 62 Ca 0.55 0.25 -0.00 0.00 0.70 0.00 0.00 55.95 57.45 2k5u s SER 62 Cb -0.39 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2k5u s SER 62 CO 0.51 0.23 -0.00 0.12 1.20 0.00 0.00 173.24 175.30 2k5u s PHE 63 N -1.36 0.42 -0.04 3.44 2.19 -0.32 -1.58 117.98 120.71 2k5u s PHE 63 Ca 0.29 -0.04 0.05 0.00 0.33 0.00 0.00 56.93 57.57 2k5u s PHE 63 Cb -0.13 -0.52 -0.02 0.00 -1.31 0.00 0.00 43.02 41.04 2k5u s PHE 63 CO 0.21 -0.18 -0.20 0.95 1.83 0.00 0.00 175.22 177.83 2k5u s THR 64 N 1.29 2.59 -0.16 0.12 -4.23 -0.96 -1.13 115.64 113.17 2k5u s THR 64 Ca -0.06 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 2k5u s THR 64 Cb -0.13 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 2k5u s THR 64 CO -0.02 0.58 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.83 2k5u s VAL 65 N -0.56 2.96 -0.30 2.29 1.01 0.15 0.22 120.40 126.18 2k5u s VAL 65 Ca 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2k5u s VAL 65 Cb -0.11 -2.27 0.17 0.00 0.00 0.00 0.00 36.38 34.17 2k5u s VAL 65 CO 0.01 0.50 0.61 0.86 0.00 0.00 0.00 175.10 177.08 2k5u s TRP 66 N 0.79 -1.53 0.50 5.22 -0.00 -0.64 -2.78 118.94 120.51 2k5u s TRP 66 Ca -0.04 1.89 0.06 0.00 -0.00 0.00 0.00 56.10 58.01 2k5u s TRP 66 Cb -0.15 0.64 0.04 0.00 -0.00 0.00 0.00 33.47 33.99 2k5u s TRP 66 CO 0.01 -0.82 0.68 -0.51 -0.00 0.00 0.00 176.95 176.31 2k5u s ASP 67 N 2.87 5.39 0.11 5.86 1.11 -1.26 -3.84 116.67 126.91 2k5u s ASP 67 Ca 0.13 -0.41 -0.30 0.00 0.18 0.00 0.00 52.55 52.15 2k5u s ASP 67 Cb -0.14 -0.48 -0.06 0.00 1.07 0.00 0.00 42.92 43.31 2k5u s ASP 67 CO -0.20 -1.02 0.96 0.68 1.18 0.00 0.00 175.17 176.77 2k5u s VAL 68 N -2.55 4.49 -0.31 -1.27 -7.23 -0.56 -4.88 120.40 108.08 2k5u s VAL 68 Ca 0.58 2.07 0.08 0.00 -1.81 0.00 0.00 61.98 62.90 2k5u s VAL 68 Cb -0.09 -4.32 0.54 0.00 0.56 0.00 0.00 36.38 33.07 2k5u s VAL 68 CO 0.36 0.32 1.54 0.61 -0.31 0.00 0.00 175.10 177.62 2k5u n GLY 69 N 2.24 4.78 4.61 2.32 0.00 -1.26 -4.30 105.19 113.58 2k5u n GLY 69 Ca 0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2k5u n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5u n GLY 70 N -1.09 1.14 0.00 -0.02 0.00 -1.26 -2.86 105.19 101.11 2k5u n GLY 70 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2k5u n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5u n GLN 71 N -1.26 0.00 -1.46 1.61 10.64 -1.26 -5.10 117.38 120.55 2k5u n GLN 71 Ca 0.00 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.73 2k5u n GLN 71 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 2k5u n GLN 71 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2k5u n ASP 72 N -0.11 0.81 -4.04 2.61 9.92 -1.13 -4.87 116.55 119.73 2k5u n ASP 72 Ca 0.00 0.17 -0.08 0.00 -0.53 0.00 0.00 54.79 54.36 2k5u n ASP 72 Cb 0.00 -1.04 -0.09 0.00 -0.64 0.00 0.00 41.12 39.34 2k5u n ASP 72 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2k5u s ARG 73 N 8.22 0.69 0.31 -1.24 3.00 -1.26 -4.60 118.95 124.07 2k5u s ARG 73 Ca 1.26 -1.18 0.06 0.00 -1.00 0.00 0.00 55.73 54.86 2k5u s ARG 73 Cb -1.10 0.24 -0.03 0.00 0.00 0.00 0.00 34.95 34.06 2k5u s ARG 73 CO 0.48 -0.16 0.24 0.96 0.00 0.00 0.00 175.30 176.83 2k5u s ILE 74 N -3.92 0.03 -0.43 4.11 -5.25 -1.26 -5.13 121.20 109.36 2k5u s ILE 74 Ca 0.08 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 57.76 2k5u s ILE 74 Cb 0.07 -2.49 0.15 0.00 2.95 0.00 0.00 42.46 43.14 2k5u s ILE 74 CO -0.09 0.00 0.30 -0.60 -1.79 0.00 0.00 174.94 172.76 2k5u s ARG 75 N -3.59 1.05 0.00 0.37 3.52 -1.26 -4.78 118.95 114.26 2k5u s ARG 75 Ca 0.40 -2.00 0.00 0.00 -0.13 0.00 0.00 55.73 53.99 2k5u s ARG 75 Cb 0.03 -1.78 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 2k5u s ARG 75 CO 0.24 -1.28 0.00 -1.13 -0.81 0.00 0.00 175.30 172.32 2k5u n SER 76 N 3.22 0.00 0.02 -2.12 3.41 -1.26 -4.96 113.62 111.94 2k5u n SER 76 Ca 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.78 2k5u n SER 76 Cb 0.41 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.59 2k5u n SER 76 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k5u h LEU 77 N 0.00 0.45 -1.73 1.04 6.46 -1.97 -2.70 115.31 116.86 2k5u h LEU 77 Ca 0.00 -0.14 0.15 0.00 -0.12 0.00 0.00 57.88 57.77 2k5u h LEU 77 Cb 0.00 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 2k5u h LEU 77 CO 0.00 0.67 0.46 -0.25 -0.62 0.00 0.00 178.44 178.70 2k5u h TRP 78 N 0.41 0.31 0.00 1.25 2.91 -1.93 0.23 115.95 119.14 2k5u h TRP 78 Ca 0.07 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2k5u h TRP 78 Cb 0.59 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2k5u h TRP 78 CO 0.02 0.12 -0.10 0.00 -1.03 0.00 0.00 178.44 177.44 2k5u h ARG 79 N 0.27 0.00 0.00 2.65 3.08 -1.87 -2.49 114.38 116.02 2k5u h ARG 79 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2k5u h ARG 79 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k5u h ARG 79 CO -0.07 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.55 2k5u n HIS 80 N -3.42 0.22 -0.04 3.04 8.25 -1.10 -2.48 115.22 119.68 2k5u n HIS 80 Ca -0.01 0.11 -0.07 0.00 -0.26 0.00 0.00 57.72 57.48 2k5u n HIS 80 Cb 0.05 -0.68 -0.02 0.00 1.12 0.00 0.00 29.99 30.46 2k5u n HIS 80 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2k5u n TYR 81 N -1.72 0.00 -0.14 4.41 9.36 0.81 -4.50 117.16 125.38 2k5u n TYR 81 Ca -0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 2k5u n TYR 81 Cb 0.02 -0.35 0.44 0.00 -0.63 0.00 0.00 39.34 38.82 2k5u n TYR 81 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 2k5u h TYR 82 N -0.61 0.59 -0.11 2.98 5.03 -1.48 -2.39 116.97 120.98 2k5u h TYR 82 Ca -0.06 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 2k5u h TYR 82 Cb 0.72 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.81 2k5u h TYR 82 CO -0.23 0.28 0.04 0.00 -1.32 0.00 0.00 178.16 176.93 2k5u h ARG 83 N 0.56 0.17 -0.34 1.82 3.08 -1.66 -2.73 114.38 115.28 2k5u h ARG 83 Ca 0.31 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.42 2k5u h ARG 83 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2k5u h ARG 83 CO -0.10 0.30 0.29 -0.91 -1.07 0.00 0.00 179.97 178.49 2k5u h ASN 84 N 0.01 0.00 -4.04 7.04 4.21 -1.66 -3.42 115.58 117.71 2k5u h ASN 84 Ca 0.04 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.00 2k5u h ASN 84 Cb 0.20 0.00 0.13 0.00 -1.12 0.00 0.00 38.32 37.53 2k5u h ASN 84 CO -0.00 0.00 0.60 0.42 -1.29 0.00 0.00 177.43 177.16 2k5u s THR 85 N -4.81 2.16 -0.17 2.81 -4.23 -1.03 -4.86 115.64 105.50 2k5u s THR 85 Ca -0.05 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 2k5u s THR 85 Cb 0.17 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.98 2k5u s THR 85 CO 0.63 -0.00 0.78 -0.62 -0.54 0.00 0.00 174.62 174.86 2k5u n GLU 86 N -0.96 0.96 -3.93 3.99 4.71 -0.84 -4.84 120.64 119.73 2k5u n GLU 86 Ca 0.10 -1.05 -0.10 0.00 -0.01 0.00 0.00 57.16 56.10 2k5u n GLU 86 Cb 0.45 -1.03 -0.11 0.00 -1.01 0.00 0.00 31.44 29.74 2k5u n GLU 86 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2k5u s GLY 87 N -0.53 0.14 -0.19 0.62 0.00 0.54 -4.12 107.32 103.78 2k5u s GLY 87 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 2k5u s GLY 87 CO 0.02 -0.44 0.30 0.14 0.00 0.00 0.00 173.10 173.12 2k5u s VAL 88 N -1.27 -0.47 -0.25 1.40 1.01 -1.08 -1.67 120.40 118.06 2k5u s VAL 88 Ca -0.14 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2k5u s VAL 88 Cb -0.08 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.73 2k5u s VAL 88 CO -0.00 -0.04 -0.09 -0.51 0.00 0.00 0.00 175.10 174.46 2k5u s ILE 89 N 2.45 1.92 -0.10 2.22 2.07 -0.87 -2.13 121.20 126.76 2k5u s ILE 89 Ca 0.05 -1.45 -0.22 0.00 -1.41 0.00 0.00 60.65 57.62 2k5u s ILE 89 Cb -0.14 -2.08 -0.03 0.00 0.13 0.00 0.00 42.46 40.34 2k5u s ILE 89 CO -0.12 -0.04 0.65 0.12 -1.91 0.00 0.00 174.94 173.64 2k5u s PHE 90 N 1.22 3.53 -0.18 3.50 5.36 0.31 -2.79 117.98 128.93 2k5u s PHE 90 Ca -0.07 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 2k5u s PHE 90 Cb -0.19 -2.76 0.04 0.00 -0.34 0.00 0.00 43.02 39.77 2k5u s PHE 90 CO -0.06 0.05 -0.08 0.08 -1.46 0.00 0.00 175.22 173.76 2k5u s VAL 91 N 0.99 1.35 0.28 3.12 1.01 0.03 0.05 120.40 127.22 2k5u s VAL 91 Ca 0.34 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2k5u s VAL 91 Cb -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2k5u s VAL 91 CO 0.15 0.15 0.08 0.54 0.00 0.00 0.00 175.10 176.02 2k5u s VAL 92 N 1.52 3.65 -0.21 2.92 0.11 -0.88 -3.03 120.40 124.49 2k5u s VAL 92 Ca -0.00 -1.73 -0.26 0.00 -2.93 0.00 0.00 61.98 57.06 2k5u s VAL 92 Cb -0.16 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.66 2k5u s VAL 92 CO -0.08 -0.33 0.87 -0.62 -3.33 0.00 0.00 175.10 171.60 2k5u s ASP 93 N -3.75 6.93 0.00 3.54 -1.08 -1.26 -2.87 116.67 118.18 2k5u s ASP 93 Ca 0.33 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 53.76 2k5u s ASP 93 Cb -0.06 -2.46 1.16 0.00 -1.46 0.00 0.00 42.92 40.10 2k5u s ASP 93 CO 0.22 -0.50 1.82 -1.20 0.52 0.00 0.00 175.17 176.03 2k5u n SER 94 N 5.75 0.00 -0.28 -0.34 7.64 -1.14 -2.77 113.62 122.48 2k5u n SER 94 Ca 0.06 0.22 0.03 0.00 1.01 0.00 0.00 58.87 60.20 2k5u n SER 94 Cb 0.48 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 63.33 2k5u n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k5u n ASN 95 N -1.40 1.85 -3.66 6.43 5.15 -1.26 -0.08 115.26 122.28 2k5u n ASN 95 Ca 0.09 -1.51 -0.34 0.00 -0.60 0.00 0.00 54.58 52.22 2k5u n ASN 95 Cb 0.25 -0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.41 2k5u n ASN 95 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k5u n ASP 96 N 0.25 4.97 -0.18 1.20 -0.08 -1.11 -4.84 116.55 116.75 2k5u n ASP 96 Ca 0.05 -3.44 -0.09 0.00 -1.51 0.00 0.00 54.79 49.80 2k5u n ASP 96 Cb 0.22 -0.93 0.01 0.00 2.34 0.00 0.00 41.12 42.76 2k5u n ASP 96 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2k5u h ARG 97 N 4.69 0.83 -0.29 -0.67 1.12 -1.86 -1.44 114.38 116.76 2k5u h ARG 97 Ca 0.20 -0.19 0.09 0.00 -1.11 0.00 0.00 59.98 58.96 2k5u h ARG 97 Cb 0.63 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 2k5u h ARG 97 CO 1.06 0.78 0.42 0.77 -3.11 0.00 0.00 179.97 179.89 2k5u h SER 98 N 0.73 0.00 -0.05 -3.80 0.02 -1.97 0.18 113.55 108.66 2k5u h SER 98 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2k5u h SER 98 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k5u h SER 98 CO -0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 2k5u n ARG 99 N -3.47 0.60 -0.23 3.45 1.74 -0.96 -4.61 116.66 113.18 2k5u n ARG 99 Ca 0.05 -1.14 0.01 0.00 -0.77 0.00 0.00 57.85 56.00 2k5u n ARG 99 Cb 0.56 -1.16 0.25 0.00 -1.02 0.00 0.00 32.46 31.09 2k5u n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2k5u h ILE 100 N 1.54 1.17 -0.22 0.55 6.09 0.46 0.54 117.51 127.64 2k5u h ILE 100 Ca 0.00 -0.35 -0.18 0.00 -1.37 0.00 0.00 64.86 62.97 2k5u h ILE 100 Cb 0.39 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 37.75 2k5u h ILE 100 CO 0.00 0.18 -0.57 1.23 -3.07 0.00 0.00 178.15 175.92 2k5u h GLY 101 N 1.01 0.76 1.63 8.18 0.00 -1.82 -0.49 103.07 112.35 2k5u h GLY 101 Ca 0.29 -0.91 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 2k5u h GLY 101 CO -0.07 0.82 -0.34 0.83 0.00 0.00 0.00 176.54 177.78 2k5u h GLU 102 N 0.53 0.42 -0.24 4.80 3.07 -1.57 -2.27 114.58 119.31 2k5u h GLU 102 Ca 0.00 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.54 2k5u h GLU 102 Cb 1.15 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2k5u h GLU 102 CO 0.12 0.71 -0.41 0.00 -1.40 0.00 0.00 179.01 178.02 2k5u h ALA 103 N 1.28 0.38 -0.16 3.43 0.00 0.22 -2.86 119.26 121.55 2k5u h ALA 103 Ca 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2k5u h ALA 103 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k5u h ALA 103 CO 0.06 0.49 -0.09 0.07 0.00 0.00 0.00 179.25 179.78 2k5u h ARG 104 N 0.43 0.25 -0.26 0.00 -0.00 -0.90 -1.97 114.38 111.94 2k5u h ARG 104 Ca 0.02 -0.05 -0.16 0.00 -0.00 0.00 0.00 59.98 59.79 2k5u h ARG 104 Cb 1.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.94 2k5u h ARG 104 CO 0.09 0.35 -0.45 1.49 -0.00 0.00 0.00 179.97 181.45 2k5u h GLU 105 N 0.24 0.76 -0.42 0.08 4.22 -1.36 -1.46 114.58 116.65 2k5u h GLU 105 Ca 0.05 -0.47 -0.07 0.00 0.08 0.00 0.00 59.36 58.94 2k5u h GLU 105 Cb 0.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k5u h GLU 105 CO 0.02 1.10 -0.02 0.28 -2.18 0.00 0.00 179.01 178.20 2k5u h VAL 106 N 0.51 1.26 -0.11 0.32 2.07 -1.26 -1.62 116.25 117.42 2k5u h VAL 106 Ca 0.02 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 2k5u h VAL 106 Cb 1.05 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2k5u h VAL 106 CO 0.10 0.36 -0.39 0.00 0.02 0.00 0.00 177.57 177.67 2k5u h MET 107 N 0.59 0.23 -0.34 1.57 -0.00 -1.39 -2.57 114.93 113.02 2k5u h MET 107 Ca 0.12 -0.10 -0.12 0.00 -0.00 0.00 0.00 59.70 59.59 2k5u h MET 107 Cb 0.52 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.11 2k5u h MET 107 CO 0.03 0.59 -0.26 0.37 -0.00 0.00 0.00 176.91 177.64 2k5u h GLN 108 N 0.19 0.77 -0.47 -0.10 5.75 -1.04 -2.02 115.11 118.19 2k5u h GLN 108 Ca 0.02 -0.38 -0.12 0.00 -0.15 0.00 0.00 58.65 58.02 2k5u h GLN 108 Cb 0.78 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 2k5u h GLN 108 CO 0.06 1.00 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.96 2k5u h ARG 109 N 0.54 0.92 -0.48 1.69 9.65 -1.22 -3.03 114.38 122.46 2k5u h ARG 109 Ca 0.06 -0.37 -0.13 0.00 -1.10 0.00 0.00 59.98 58.44 2k5u h ARG 109 Cb 0.82 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 2k5u h ARG 109 CO 0.07 1.02 -0.22 0.00 2.80 0.00 0.00 179.97 183.64 2k5u h MET 110 N 0.80 0.98 0.00 0.20 -0.00 -1.43 -2.75 114.93 112.73 2k5u h MET 110 Ca 0.11 -0.42 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 2k5u h MET 110 Cb 0.74 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2k5u h MET 110 CO 0.06 1.09 0.00 1.47 -0.00 0.00 0.00 176.91 179.53 2k5u n LEU 111 N -4.11 0.13 0.00 -0.10 -0.00 -0.77 -2.45 117.00 109.71 2k5u n LEU 111 Ca 0.00 0.53 0.04 0.00 -0.00 0.00 0.00 56.01 56.59 2k5u n LEU 111 Cb 0.46 -0.52 0.25 0.00 -0.00 0.00 0.00 43.42 43.61 2k5u n LEU 111 CO 0.47 -0.33 0.63 -0.46 -0.00 0.00 0.00 177.39 177.69 2k5u n ASN 112 N -1.65 0.00 -4.60 1.45 2.04 -1.04 -4.65 115.26 106.82 2k5u n ASN 112 Ca 0.03 -1.59 -0.43 0.00 -0.44 0.00 0.00 54.58 52.15 2k5u n ASN 112 Cb 0.17 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.39 2k5u n ASN 112 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2k5u s GLU 113 N -2.00 3.78 0.48 -3.83 2.02 -1.03 -4.91 118.70 113.22 2k5u s GLU 113 Ca 0.13 0.54 0.20 0.00 0.02 0.00 0.00 54.97 55.86 2k5u s GLU 113 Cb 0.06 -3.84 1.21 0.00 0.10 0.00 0.00 34.13 31.66 2k5u s GLU 113 CO 0.10 -1.07 1.97 0.38 0.02 0.00 0.00 175.26 176.66 2k5u h ASP 114 N 8.67 0.20 0.59 -0.19 2.03 -1.92 0.24 116.42 126.04 2k5u h ASP 114 Ca -0.23 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 2k5u h ASP 114 Cb 1.07 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 2k5u h ASP 114 CO 1.02 0.11 0.00 -0.62 -1.03 0.00 0.00 179.24 178.72 2k5u n GLU 115 N -4.43 0.06 -0.07 4.15 4.71 -1.26 -2.78 120.64 121.01 2k5u n GLU 115 Ca 0.11 0.29 0.01 0.00 -0.01 0.00 0.00 57.16 57.56 2k5u n GLU 115 Cb 0.54 -1.61 0.01 0.00 -1.01 0.00 0.00 31.44 29.38 2k5u n GLU 115 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2k5u n LEU 116 N -1.71 0.88 0.25 -4.62 -0.00 0.63 -4.79 117.00 107.63 2k5u n LEU 116 Ca 0.03 -1.09 0.17 0.00 -0.00 0.00 0.00 56.01 55.12 2k5u n LEU 116 Cb 0.20 -0.04 0.87 0.00 -0.00 0.00 0.00 43.42 44.44 2k5u n LEU 116 CO 0.16 0.27 1.00 0.08 -0.00 0.00 0.00 177.39 178.90 2k5u h ARG 117 N 0.00 0.00 -0.13 1.47 0.11 -0.79 -1.40 114.38 113.64 2k5u h ARG 117 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k5u h ARG 117 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 2k5u h ARG 117 CO 0.00 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.34 2k5u n ASN 118 N -2.68 2.22 -4.78 0.08 0.23 -1.26 -5.04 115.26 104.03 2k5u n ASN 118 Ca -0.02 -1.84 -0.34 0.00 -0.53 0.00 0.00 54.58 51.86 2k5u n ASN 118 Cb 0.08 -0.09 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 2k5u n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k5u s ALA 119 N -0.88 2.67 -0.44 -2.53 0.00 -0.53 -4.93 121.76 115.12 2k5u s ALA 119 Ca 0.10 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 2k5u s ALA 119 Cb 0.05 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2k5u s ALA 119 CO 0.07 -0.87 1.80 0.00 0.00 0.00 0.00 175.76 176.76 2k5u s ALA 120 N -2.17 2.62 -0.13 0.00 0.00 -1.26 -4.92 121.76 115.91 2k5u s ALA 120 Ca 0.68 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 2k5u s ALA 120 Cb -0.20 -4.11 -0.05 0.00 0.00 0.00 0.00 23.12 18.77 2k5u s ALA 120 CO 0.33 -3.08 0.22 -1.58 0.00 0.00 0.00 175.76 171.65 2k5u s TRP 121 N 7.61 3.54 -0.02 0.00 0.51 -1.03 -2.64 118.94 126.91 2k5u s TRP 121 Ca 0.74 0.58 0.01 0.00 -2.12 0.00 0.00 56.10 55.31 2k5u s TRP 121 Cb -0.18 -2.14 0.01 0.00 -0.81 0.00 0.00 33.47 30.35 2k5u s TRP 121 CO 0.29 0.50 -0.01 -1.17 -0.51 0.00 0.00 176.95 176.05 2k5u s LEU 122 N -0.36 1.54 -0.20 2.99 1.98 -0.91 -2.73 118.68 120.99 2k5u s LEU 122 Ca 0.15 -0.04 -0.07 0.00 -2.89 0.00 0.00 54.13 51.28 2k5u s LEU 122 Cb -0.13 -0.20 -0.03 0.00 0.66 0.00 0.00 46.19 46.49 2k5u s LEU 122 CO 0.04 -0.04 0.05 -0.69 -1.89 0.00 0.00 176.35 173.82 2k5u s VAL 123 N 0.54 4.48 -0.13 1.68 1.01 0.11 0.11 120.40 128.20 2k5u s VAL 123 Ca -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2k5u s VAL 123 Cb -0.08 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2k5u s VAL 123 CO -0.01 0.43 -0.19 0.12 0.00 0.00 0.00 175.10 175.45 2k5u s PHE 124 N 0.76 2.37 -0.24 5.22 5.36 0.11 -2.44 117.98 129.11 2k5u s PHE 124 Ca 0.02 -1.19 -0.13 0.00 -0.96 0.00 0.00 56.93 54.68 2k5u s PHE 124 Cb -0.14 -1.65 -0.05 0.00 -0.34 0.00 0.00 43.02 40.85 2k5u s PHE 124 CO 0.02 -0.58 0.26 0.00 -1.46 0.00 0.00 175.22 173.46 2k5u s ALA 125 N 0.96 3.57 -0.23 11.12 0.00 -0.67 -2.07 121.76 134.44 2k5u s ALA 125 Ca -0.05 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2k5u s ALA 125 Cb -0.15 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.52 2k5u s ALA 125 CO -0.03 -0.37 -0.13 0.54 0.00 0.00 0.00 175.76 175.77 2k5u s ASN 126 N 1.30 4.01 0.00 0.00 6.03 -1.14 -1.27 114.94 123.87 2k5u s ASN 126 Ca 0.11 -1.08 0.00 0.00 -1.03 0.00 0.00 52.86 50.87 2k5u s ASN 126 Cb -0.15 -1.55 0.00 0.00 -3.03 0.00 0.00 41.25 36.52 2k5u s ASN 126 CO 0.07 -0.12 0.00 0.29 -2.03 0.00 0.00 177.10 175.31 2k5u n LYS 127 N 4.53 0.00 0.10 3.55 4.76 -0.81 -2.86 118.16 127.43 2k5u n LYS 127 Ca -0.17 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.39 2k5u n LYS 127 Cb 0.45 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 34.10 2k5u n LYS 127 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2k5u n GLN 128 N 0.00 0.16 0.21 1.97 1.13 0.51 -2.15 117.38 119.21 2k5u n GLN 128 Ca 0.00 0.36 0.10 0.00 -1.94 0.00 0.00 57.00 55.52 2k5u n GLN 128 Cb 0.00 -1.79 0.30 0.00 0.11 0.00 0.00 30.24 28.86 2k5u n GLN 128 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2k5u h ASP 129 N 0.00 0.00 -3.01 1.08 3.04 -1.93 -3.45 116.42 112.15 2k5u h ASP 129 Ca 0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2k5u h ASP 129 Cb 0.39 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.72 2k5u h ASP 129 CO 0.00 0.19 0.78 -0.22 -2.04 0.00 0.00 179.24 177.95 2k5u s LEU 130 N -6.43 4.38 0.53 0.15 1.98 -0.92 -4.90 118.68 113.47 2k5u s LEU 130 Ca 0.04 2.49 0.25 0.00 -2.89 0.00 0.00 54.13 54.02 2k5u s LEU 130 Cb 0.08 -3.60 1.48 0.00 0.66 0.00 0.00 46.19 44.81 2k5u s LEU 130 CO 0.66 -0.71 2.11 1.55 -1.89 0.00 0.00 176.35 178.07 2k5u h PRO 131 N 6.46 0.00 -0.30 0.98 0.13 -1.89 -2.35 132.00 135.04 2k5u h PRO 131 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2k5u h PRO 131 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2k5u h PRO 131 CO 0.86 0.09 -0.02 -0.85 -0.23 0.00 0.00 178.00 177.86 2k5u n GLU 132 N -3.84 2.33 -3.16 0.86 0.28 -1.26 -5.02 120.64 110.83 2k5u n GLU 132 Ca -0.02 -2.98 -0.36 0.00 -0.16 0.00 0.00 57.16 53.64 2k5u n GLU 132 Cb 0.19 -1.82 -0.06 0.00 1.43 0.00 0.00 31.44 31.18 2k5u n GLU 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k5u s ALA 133 N -3.03 3.45 0.45 -1.84 0.00 -0.89 -4.89 121.76 115.02 2k5u s ALA 133 Ca 0.43 0.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 2k5u s ALA 133 Cb 0.37 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 2k5u s ALA 133 CO 0.05 0.36 1.03 -1.64 0.00 0.00 0.00 175.76 175.55 2k5u s MET 134 N -1.97 3.96 0.43 0.00 -1.94 0.88 -5.00 119.30 115.66 2k5u s MET 134 Ca 0.42 1.38 -0.19 0.00 -1.71 0.00 0.00 55.69 55.58 2k5u s MET 134 Cb -0.16 -2.24 -0.10 0.00 2.01 0.00 0.00 34.83 34.34 2k5u s MET 134 CO 0.20 -0.30 0.92 -1.12 -0.01 0.00 0.00 175.02 174.72 2k5u s SER 135 N -1.88 6.86 0.48 3.03 0.01 -1.26 -4.84 113.70 116.10 2k5u s SER 135 Ca 0.64 1.60 0.19 0.00 1.31 0.00 0.00 55.95 59.69 2k5u s SER 135 Cb -0.17 -2.51 1.20 0.00 0.21 0.00 0.00 66.02 64.75 2k5u s SER 135 CO 0.21 -0.38 1.99 0.00 0.41 0.00 0.00 173.24 175.48 2k5u h ALA 136 N 1.79 2.22 -0.00 1.44 0.00 -1.96 0.37 119.26 123.12 2k5u h ALA 136 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k5u h ALA 136 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k5u h ALA 136 CO 0.62 -0.36 -0.00 0.00 0.00 0.00 0.00 179.25 179.51 2k5u h ALA 137 N 1.73 0.00 -0.13 0.00 0.00 -1.96 0.14 119.26 119.04 2k5u h ALA 137 Ca 0.25 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2k5u h ALA 137 Cb 0.72 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k5u h ALA 137 CO -0.05 -0.28 -0.43 0.93 0.00 0.00 0.00 179.25 179.43 2k5u h GLU 138 N -0.43 0.31 -0.28 0.00 3.07 -1.76 -2.76 114.58 112.74 2k5u h GLU 138 Ca 0.00 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 2k5u h GLU 138 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2k5u h GLU 138 CO 0.00 0.68 -0.04 0.82 -1.40 0.00 0.00 179.01 179.07 2k5u h ILE 139 N 0.25 1.27 -0.82 3.13 2.04 -0.24 -2.18 117.51 120.97 2k5u h ILE 139 Ca 0.02 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.90 2k5u h ILE 139 Cb 0.86 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 2k5u h ILE 139 CO 0.07 0.33 0.53 0.71 0.00 0.00 0.00 178.15 179.79 2k5u h THR 140 N 0.28 1.07 -0.01 -0.27 1.35 -0.56 -0.31 112.91 114.46 2k5u h THR 140 Ca 0.07 -0.32 -0.13 0.00 -0.55 0.00 0.00 66.41 65.49 2k5u h THR 140 Cb 0.50 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2k5u h THR 140 CO 0.02 0.17 -0.59 -0.08 -0.25 0.00 0.00 175.52 174.80 2k5u h GLU 141 N 0.93 0.03 -0.26 4.72 4.22 -1.34 0.31 114.58 123.19 2k5u h GLU 141 Ca 0.34 -0.02 -0.17 0.00 0.08 0.00 0.00 59.36 59.59 2k5u h GLU 141 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k5u h GLU 141 CO -0.12 0.61 -0.52 -0.22 -2.18 0.00 0.00 179.01 176.58 2k5u h LYS 142 N 0.02 0.75 -0.08 1.92 1.63 -0.45 -2.81 116.57 117.55 2k5u h LYS 142 Ca -0.01 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2k5u h LYS 142 Cb 1.04 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2k5u h LYS 142 CO 0.08 1.08 0.00 1.28 -3.45 0.00 0.00 179.45 178.44 2k5u n LEU 143 N -4.00 0.75 -1.24 5.20 4.77 -0.43 -4.88 117.00 117.18 2k5u n LEU 143 Ca -0.03 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.50 2k5u n LEU 143 Cb 0.60 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2k5u n LEU 143 CO 0.49 0.16 -0.15 0.61 -1.33 0.00 0.00 177.39 177.17 2k5u n GLY 144 N 0.93 0.56 0.28 -0.72 0.00 -1.04 -4.86 105.19 100.34 2k5u n GLY 144 Ca 0.14 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2k5u n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k5u h LEU 145 N 0.00 0.00 -0.54 0.99 6.46 -0.63 0.82 115.31 122.41 2k5u h LEU 145 Ca -0.29 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.41 2k5u h LEU 145 Cb 1.05 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 2k5u h LEU 145 CO 0.37 0.07 -0.28 1.12 -0.62 0.00 0.00 178.44 179.10 2k5u h HIS 146 N 0.00 0.00 -0.00 1.25 2.07 -1.88 -3.00 115.15 113.59 2k5u h HIS 146 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2k5u h HIS 146 Cb 0.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.21 2k5u h HIS 146 CO 0.00 0.28 -0.01 0.45 -3.07 0.00 0.00 177.93 175.58 2k5u n SER 147 N -3.27 0.02 -4.88 3.10 2.88 0.28 -4.80 113.62 106.95 2k5u n SER 147 Ca 0.01 0.18 -0.36 0.00 -1.33 0.00 0.00 58.87 57.37 2k5u n SER 147 Cb 0.55 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.57 2k5u n SER 147 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2k5u s ILE 148 N -2.80 5.46 0.29 2.46 2.07 -1.13 -5.04 121.20 122.50 2k5u s ILE 148 Ca 0.21 0.17 -0.26 0.00 -1.41 0.00 0.00 60.65 59.35 2k5u s ILE 148 Cb 0.20 -3.45 -0.15 0.00 0.13 0.00 0.00 42.46 39.18 2k5u s ILE 148 CO 0.50 0.55 0.65 -2.11 -1.91 0.00 0.00 174.94 172.63 2k5u n ARG 149 N 1.73 0.55 -2.56 3.50 1.85 -1.26 -4.87 116.66 115.60 2k5u n ARG 149 Ca -0.17 0.19 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 2k5u n ARG 149 Cb 0.54 -1.37 -0.04 0.00 -1.05 0.00 0.00 32.46 30.54 2k5u n ARG 149 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2k5u s ASN 150 N -0.85 7.34 0.00 2.89 2.20 -1.26 -3.92 114.94 121.34 2k5u s ASN 150 Ca 0.62 2.06 0.00 0.00 -0.94 0.00 0.00 52.86 54.60 2k5u s ASN 150 Cb -0.77 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 35.87 2k5u s ASN 150 CO 0.58 -0.15 0.00 -1.14 -2.94 0.00 0.00 177.10 173.45 2k5u n ARG 151 N 2.18 0.00 -0.07 3.55 3.00 -1.26 -5.00 116.66 119.06 2k5u n ARG 151 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.80 2k5u n ARG 151 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.88 2k5u n ARG 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2k5u h PRO 152 N 0.00 -0.19 -5.66 -0.14 0.11 -1.93 -3.44 132.00 120.75 2k5u h PRO 152 Ca 0.00 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.66 2k5u h PRO 152 Cb 0.00 0.04 -0.16 0.00 0.11 0.00 0.00 31.00 30.99 2k5u h PRO 152 CO 0.00 -0.13 -0.75 1.67 -0.21 0.00 0.00 178.00 178.58 2k5u s TRP 153 N -4.29 1.70 0.20 0.65 -2.14 -1.23 -2.47 118.94 111.36 2k5u s TRP 153 Ca -0.07 -0.54 0.10 0.00 2.66 0.00 0.00 56.10 58.25 2k5u s TRP 153 Cb 0.04 -0.82 -0.04 0.00 -3.10 0.00 0.00 33.47 29.55 2k5u s TRP 153 CO 0.30 0.32 -0.12 0.12 -2.66 0.00 0.00 176.95 174.91 2k5u s PHE 154 N -2.58 2.55 -0.04 1.66 5.36 -1.10 -4.93 117.98 118.89 2k5u s PHE 154 Ca 0.19 -0.26 0.06 0.00 -0.96 0.00 0.00 56.93 55.96 2k5u s PHE 154 Cb -0.03 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.41 2k5u s PHE 154 CO 0.06 0.54 -0.22 -1.50 -1.46 0.00 0.00 175.22 172.64 2k5u s ILE 155 N -1.85 2.37 -0.08 3.12 1.10 -1.26 0.07 121.20 124.67 2k5u s ILE 155 Ca 0.25 -0.97 -0.03 0.00 -0.51 0.00 0.00 60.65 59.39 2k5u s ILE 155 Cb -0.08 -1.87 0.04 0.00 0.15 0.00 0.00 42.46 40.70 2k5u s ILE 155 CO 0.15 0.58 0.17 -1.58 -2.11 0.00 0.00 174.94 172.14 2k5u s GLN 156 N -0.45 0.11 -0.00 3.50 2.00 -1.02 -5.01 119.66 118.78 2k5u s GLN 156 Ca 0.05 0.44 -0.20 0.00 -2.00 0.00 0.00 55.36 53.65 2k5u s GLN 156 Cb -0.12 -0.18 -0.05 0.00 0.80 0.00 0.00 33.01 33.46 2k5u s GLN 156 CO 0.01 -0.19 0.56 0.00 -0.50 0.00 0.00 175.29 175.18 2k5u s ALA 157 N 1.37 3.52 0.31 1.58 0.00 -1.26 -1.67 121.76 125.60 2k5u s ALA 157 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 2k5u s ALA 157 Cb -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2k5u s ALA 157 CO -0.06 0.21 0.49 0.95 0.00 0.00 0.00 175.76 177.35 2k5u s THR 158 N -0.33 0.00 -0.22 0.00 -4.23 -0.40 -4.77 115.64 105.69 2k5u s THR 158 Ca 0.30 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2k5u s THR 158 Cb -0.18 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.21 2k5u s THR 158 CO 0.16 0.00 -0.02 0.00 -0.54 0.00 0.00 174.62 174.22 2k5u h ALA 160 N 8.05 1.81 0.22 0.00 0.00 -1.90 -1.48 119.26 125.95 2k5u h ALA 160 Ca -0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k5u h ALA 160 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2k5u h ALA 160 CO 0.39 0.16 -0.11 1.79 0.00 0.00 0.00 179.25 181.49 2k5u h THR 161 N 0.24 0.75 -0.00 0.00 1.35 -1.96 -3.28 112.91 110.02 2k5u h THR 161 Ca 0.06 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2k5u h THR 161 Cb 0.05 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2k5u h THR 161 CO -0.01 0.17 -0.04 -1.20 -0.25 0.00 0.00 175.52 174.19 2k5u n SER 162 N -5.00 0.05 0.00 5.36 7.64 -1.23 -4.89 113.62 115.56 2k5u n SER 162 Ca -0.08 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2k5u n SER 162 Cb 0.26 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2k5u n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k5u n GLY 163 N 1.47 0.48 3.64 0.23 0.00 -0.57 -4.95 105.19 105.48 2k5u n GLY 163 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2k5u n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5u s GLU 164 N -0.56 3.97 0.00 1.61 2.12 -1.17 -2.57 118.70 122.10 2k5u s GLU 164 Ca 0.00 1.40 0.00 0.00 0.36 0.00 0.00 54.97 56.73 2k5u s GLU 164 Cb 0.00 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.51 2k5u s GLU 164 CO 0.00 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.07 2k5u n GLY 165 N 4.21 3.36 0.22 -1.50 0.00 -1.26 -1.36 105.19 108.86 2k5u n GLY 165 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2k5u n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k5u h LEU 166 N 0.00 0.78 -0.04 0.99 3.38 -1.78 -2.11 115.31 116.54 2k5u h LEU 166 Ca 0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k5u h LEU 166 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k5u h LEU 166 CO 0.00 1.11 0.00 1.88 0.09 0.00 0.00 178.44 181.53 2k5u h TYR 167 N 0.46 0.07 -0.60 1.13 -1.99 -1.92 0.33 116.97 114.45 2k5u h TYR 167 Ca 0.04 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.79 2k5u h TYR 167 Cb 0.92 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.59 2k5u h TYR 167 CO 0.07 0.31 0.37 0.93 -0.00 0.00 0.00 178.16 179.84 2k5u h GLU 168 N -0.20 0.70 -0.00 4.88 5.08 -1.91 0.41 114.58 123.53 2k5u h GLU 168 Ca 0.01 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2k5u h GLU 168 Cb 0.28 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2k5u h GLU 168 CO 0.00 0.46 -0.82 0.78 -1.00 0.00 0.00 179.01 178.43 2k5u h GLY 169 N 0.72 0.15 1.64 -3.84 0.00 -1.34 -1.24 103.07 99.16 2k5u h GLY 169 Ca 0.24 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2k5u h GLY 169 CO -0.10 0.22 -0.82 -2.00 0.00 0.00 0.00 176.54 173.84 2k5u h LEU 170 N 0.08 0.42 0.10 3.11 6.46 0.09 -2.33 115.31 123.24 2k5u h LEU 170 Ca -0.03 -0.31 -0.23 0.00 -0.12 0.00 0.00 57.88 57.19 2k5u h LEU 170 Cb 1.43 -0.13 0.02 0.00 -0.73 0.00 0.00 40.66 41.26 2k5u h LEU 170 CO 0.12 1.07 -0.97 -0.08 -0.62 0.00 0.00 178.44 177.97 2k5u h GLU 171 N 0.21 0.48 -0.88 1.25 4.22 -0.21 -2.87 114.58 116.78 2k5u h GLU 171 Ca -0.05 -0.65 -0.00 0.00 0.08 0.00 0.00 59.36 58.74 2k5u h GLU 171 Cb 1.42 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 2k5u h GLU 171 CO 0.14 1.27 0.54 -1.49 -2.18 0.00 0.00 179.01 177.28 2k5u h TRP 172 N -0.00 1.15 -0.59 0.92 6.55 -1.28 -2.11 115.95 120.60 2k5u h TRP 172 Ca -0.15 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.59 2k5u h TRP 172 Cb 1.69 -0.38 -0.02 0.00 -0.86 0.00 0.00 29.16 29.59 2k5u h TRP 172 CO 0.15 0.76 -0.05 -0.07 -1.05 0.00 0.00 178.44 178.18 2k5u h LEU 173 N 1.21 1.06 -0.86 -4.49 -0.00 -1.48 -2.84 115.31 107.91 2k5u h LEU 173 Ca 0.32 -0.33 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k5u h LEU 173 Cb -0.06 -0.29 -0.04 0.00 -0.00 0.00 0.00 40.66 40.27 2k5u h LEU 173 CO -0.06 1.13 0.53 0.77 -0.00 0.00 0.00 178.44 180.81 2k5u h SER 174 N 0.96 1.03 -0.33 -0.43 4.64 -1.18 -2.57 113.55 115.67 2k5u h SER 174 Ca 0.16 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2k5u h SER 174 Cb 0.62 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2k5u h SER 174 CO 0.04 0.79 0.22 -1.13 -0.87 0.00 0.00 176.83 175.87 2k5u h ASN 175 N 1.19 0.38 -0.33 4.97 -0.73 -1.22 0.16 115.58 119.99 2k5u h ASN 175 Ca 0.31 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.51 2k5u h ASN 175 Cb -0.06 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2k5u h ASN 175 CO -0.06 0.27 0.22 0.77 -0.37 0.00 0.00 177.43 178.27 2k5u h SER 176 N 0.45 0.24 1.29 1.15 4.64 -1.26 0.93 113.55 120.99 2k5u h SER 176 Ca 0.12 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 2k5u h SER 176 Cb -0.05 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2k5u h SER 176 CO -0.03 0.16 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.30 2k5u h LEU 177 N 0.28 0.00 0.00 5.97 3.38 -0.97 -3.39 115.31 120.58 2k5u h LEU 177 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k5u h LEU 177 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2k5u h LEU 177 CO -0.03 0.61 -0.05 0.50 0.09 0.00 0.00 178.44 179.57 2k5u h LYS 178 N 0.00 0.00 0.00 1.13 3.64 0.14 -3.47 116.57 118.01 2k5u h LYS 178 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2k5u h LYS 178 Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2k5u h LYS 178 CO 0.08 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 2k5u n ASN 179 N -2.47 0.00 0.00 4.20 3.02 0.30 -4.39 115.26 115.92 2k5u n ASN 179 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2k5u n ASN 179 Cb 0.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2k5u n ASN 179 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k5u n SER 180 N 2.19 0.00 0.00 6.41 2.88 -1.26 -5.08 113.62 118.76 2k5u n SER 180 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2k5u n SER 180 Cb 0.00 0.02 0.52 0.00 -0.75 0.00 0.00 64.21 64.00 2k5u n SER 180 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22