#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klg s ASP 2 N 0.00 5.28 0.00 1.61 2.15 -1.26 -4.91 116.67 119.54 1klg s ASP 2 Ca 0.00 -1.75 0.06 0.00 0.43 0.00 0.00 52.55 51.29 1klg s ASP 2 Cb 0.00 -1.85 0.13 0.00 -0.30 0.00 0.00 42.92 40.90 1klg s ASP 2 CO 0.00 -0.49 0.97 0.35 -0.17 0.00 0.00 175.17 175.83 1klg n THR 3 N 4.68 0.59 -1.64 1.71 -2.24 -1.26 -5.04 114.28 111.09 1klg n THR 3 Ca -0.06 -0.79 -0.40 0.00 -2.27 0.00 0.00 64.05 60.52 1klg n THR 3 Cb 0.42 0.76 0.02 0.00 -2.10 0.00 0.00 70.33 69.44 1klg n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1klg n ARG 4 N 0.21 1.39 -2.30 -0.78 1.74 -1.26 -4.94 116.66 110.72 1klg n ARG 4 Ca 0.06 0.51 -0.34 0.00 -0.77 0.00 0.00 57.85 57.31 1klg n ARG 4 Cb 0.28 -2.18 -0.01 0.00 -1.02 0.00 0.00 32.46 29.53 1klg n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1klg s PRO 5 N -2.28 3.55 0.16 5.56 0.04 -1.26 -5.05 135.00 135.71 1klg s PRO 5 Ca 0.66 1.32 0.07 0.00 0.04 0.00 0.00 61.00 63.09 1klg s PRO 5 Cb -0.50 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1klg s PRO 5 CO 0.54 -0.64 0.01 1.03 0.04 0.00 0.00 177.00 177.99 1klg s ARG 6 N -3.59 2.49 -0.17 4.56 1.81 -1.26 -5.11 118.95 117.68 1klg s ARG 6 Ca 0.66 -1.03 -0.04 0.00 -1.72 0.00 0.00 55.73 53.61 1klg s ARG 6 Cb -0.17 -2.42 0.06 0.00 -0.45 0.00 0.00 34.95 31.96 1klg s ARG 6 CO 0.28 0.47 0.06 -0.06 -0.68 0.00 0.00 175.30 175.37 1klg s PHE 7 N -1.65 0.57 0.11 -0.53 0.08 -1.26 -5.11 117.98 110.19 1klg s PHE 7 Ca 0.27 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.84 1klg s PHE 7 Cb -0.10 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 1klg s PHE 7 CO 0.19 -0.53 0.15 -1.17 -0.10 0.00 0.00 175.22 173.76 1klg s LEU 8 N 2.01 4.00 -0.08 -0.37 2.96 -1.26 -5.08 118.68 120.86 1klg s LEU 8 Ca 0.01 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1klg s LEU 8 Cb -0.16 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.94 1klg s LEU 8 CO -0.08 0.13 0.17 0.86 -1.32 0.00 0.00 176.35 176.11 1klg s TRP 9 N -1.55 -0.20 -0.01 5.38 -0.11 -1.20 -3.78 118.94 117.46 1klg s TRP 9 Ca 0.32 0.58 0.06 0.00 1.22 0.00 0.00 56.10 58.28 1klg s TRP 9 Cb -0.12 -0.12 -0.02 0.00 -1.50 0.00 0.00 33.47 31.72 1klg s TRP 9 CO 0.25 -0.21 -0.20 -0.65 -4.62 0.00 0.00 176.95 171.51 1klg s GLN 10 N 1.57 1.60 -0.12 5.86 -0.21 -0.36 -4.99 119.66 123.01 1klg s GLN 10 Ca -0.05 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.60 1klg s GLN 10 Cb -0.12 -1.57 0.01 0.00 1.00 0.00 0.00 33.01 32.34 1klg s GLN 10 CO -0.06 0.43 -0.16 -1.17 -2.12 0.00 0.00 175.29 172.20 1klg s LEU 11 N -0.55 1.77 -0.06 2.90 2.96 -1.26 -1.27 118.68 123.18 1klg s LEU 11 Ca 0.08 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1klg s LEU 11 Cb -0.08 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.48 1klg s LEU 11 CO -0.00 0.02 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.42 1klg s LYS 12 N 1.00 1.32 -0.34 1.98 1.02 -0.36 -5.00 119.74 119.36 1klg s LYS 12 Ca -0.06 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.62 1klg s LYS 12 Cb -0.15 -1.16 0.07 0.00 -0.52 0.00 0.00 37.83 36.07 1klg s LYS 12 CO -0.02 -0.02 0.08 -0.06 -0.92 0.00 0.00 175.35 174.41 1klg s PHE 13 N 0.76 3.37 -0.25 3.18 0.40 -1.26 -0.48 117.98 123.70 1klg s PHE 13 Ca -0.13 -1.96 -0.10 0.00 -0.60 0.00 0.00 56.93 54.14 1klg s PHE 13 Cb -0.15 -2.49 -0.05 0.00 0.51 0.00 0.00 43.02 40.84 1klg s PHE 13 CO 0.02 -0.84 0.15 -1.21 0.70 0.00 0.00 175.22 174.04 1klg s GLU 14 N 1.24 3.98 -0.36 0.44 2.02 0.57 -4.96 118.70 121.63 1klg s GLU 14 Ca -0.00 -0.32 -0.10 0.00 0.02 0.00 0.00 54.97 54.57 1klg s GLU 14 Cb -0.21 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.53 1klg s GLU 14 CO -0.01 -0.02 0.19 0.00 0.02 0.00 0.00 175.26 175.44 1klg s HIS 16 N 1.55 3.30 -0.11 0.00 3.76 0.35 -4.97 115.29 119.17 1klg s HIS 16 Ca 0.02 0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 1klg s HIS 16 Cb -0.19 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.15 1klg s HIS 16 CO 0.06 -0.00 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.74 1klg s PHE 17 N 1.28 2.74 -0.03 1.40 0.08 -1.26 -1.59 117.98 120.60 1klg s PHE 17 Ca 0.09 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1klg s PHE 17 Cb -0.14 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1klg s PHE 17 CO 0.06 -0.15 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.85 1klg s PHE 18 N 0.10 1.23 -1.20 0.36 0.40 -1.02 -4.79 117.98 113.06 1klg s PHE 18 Ca -0.07 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1klg s PHE 18 Cb -0.15 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1klg s PHE 18 CO 0.05 -0.13 0.87 -1.71 0.70 0.00 0.00 175.22 174.99 1klg n ASN 19 N 3.27 -2.94 0.00 1.36 2.85 -1.26 -2.97 115.26 115.57 1klg n ASN 19 Ca -0.18 -0.74 0.00 0.00 -0.11 0.00 0.00 54.58 53.55 1klg n ASN 19 Cb 0.54 -4.65 0.00 0.00 1.24 0.00 0.00 39.78 36.91 1klg n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1klg n GLY 20 N -1.34 2.28 1.38 8.20 0.00 -1.26 -2.12 105.19 112.33 1klg n GLY 20 Ca -0.23 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.46 1klg n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1klg n THR 21 N 0.00 2.58 0.00 2.61 -2.24 -1.26 -4.67 114.28 111.30 1klg n THR 21 Ca 0.00 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1klg n THR 21 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1klg n THR 21 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1klg n GLU 22 N -0.34 0.00 -4.36 -0.78 2.13 -0.90 -4.63 120.64 111.75 1klg n GLU 22 Ca 0.29 0.42 -0.34 0.00 0.66 0.00 0.00 57.16 58.19 1klg n GLU 22 Cb 1.10 -1.42 -0.10 0.00 0.27 0.00 0.00 31.44 31.28 1klg n GLU 22 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1klg s ARG 23 N -2.69 3.27 -0.01 5.31 1.70 -1.16 -5.05 118.95 120.33 1klg s ARG 23 Ca 0.00 -0.44 0.01 0.00 -0.47 0.00 0.00 55.73 54.83 1klg s ARG 23 Cb 0.00 -2.86 0.00 0.00 -0.57 0.00 0.00 34.95 31.52 1klg s ARG 23 CO 0.00 0.52 -0.04 0.08 -1.08 0.00 0.00 175.30 174.78 1klg s VAL 24 N -0.38 0.32 -0.03 4.99 1.01 -1.26 -2.43 120.40 122.62 1klg s VAL 24 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1klg s VAL 24 Cb -0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1klg s VAL 24 CO 0.02 0.10 -0.16 -0.60 0.00 0.00 0.00 175.10 174.47 1klg s ARG 25 N 0.04 1.51 -0.17 2.72 3.52 -0.62 -4.98 118.95 120.98 1klg s ARG 25 Ca -0.00 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1klg s ARG 25 Cb -0.03 -1.36 -0.01 0.00 -1.56 0.00 0.00 34.95 31.99 1klg s ARG 25 CO -0.00 0.25 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.47 1klg s LEU 26 N -0.06 2.73 -0.25 -0.88 2.96 -1.26 -0.50 118.68 121.41 1klg s LEU 26 Ca -0.01 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1klg s LEU 26 Cb -0.09 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 45.01 1klg s LEU 26 CO 0.01 0.08 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.80 1klg s LEU 27 N 0.88 3.25 -0.25 -0.68 2.96 0.23 -0.17 118.68 124.89 1klg s LEU 27 Ca -0.03 -1.35 -0.10 0.00 -0.22 0.00 0.00 54.13 52.43 1klg s LEU 27 Cb -0.15 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1klg s LEU 27 CO 0.00 -0.20 0.16 -0.70 -1.32 0.00 0.00 176.35 174.29 1klg s GLU 28 N 1.17 3.99 0.02 1.98 2.12 0.62 -0.32 118.70 128.27 1klg s GLU 28 Ca -0.08 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 54.96 1klg s GLU 28 Cb -0.20 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 1klg s GLU 28 CO -0.05 -0.05 -0.07 -0.98 -0.54 0.00 0.00 175.26 173.57 1klg s ARG 29 N 1.36 0.52 -0.06 4.30 1.70 0.36 0.13 118.95 127.25 1klg s ARG 29 Ca 0.07 -0.47 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 1klg s ARG 29 Cb -0.15 -0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 33.80 1klg s ARG 29 CO 0.07 0.10 -0.13 0.00 -1.08 0.00 0.00 175.30 174.26 1klg s ILE 31 N -0.57 0.70 0.00 0.00 -1.09 -0.39 -0.91 121.20 118.93 1klg s ILE 31 Ca 0.08 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1klg s ILE 31 Cb -0.11 -0.76 0.00 0.00 -1.58 0.00 0.00 42.46 40.00 1klg s ILE 31 CO 0.01 0.30 0.02 0.00 -1.23 0.00 0.00 174.94 174.05 1klg n TYR 32 N 4.79 0.00 0.00 3.97 9.36 -0.16 -1.23 117.16 133.90 1klg n TYR 32 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 1klg n TYR 32 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1klg n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1klg n ASN 33 N -0.06 0.00 0.00 2.98 3.02 -1.25 -3.28 115.26 116.68 1klg n ASN 33 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1klg n ASN 33 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1klg n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1klg n GLN 34 N -1.78 2.48 -3.80 3.52 7.27 -1.26 -4.89 117.38 118.92 1klg n GLN 34 Ca 0.00 -1.35 -0.36 0.00 0.07 0.00 0.00 57.00 55.36 1klg n GLN 34 Cb 0.00 -0.97 -0.13 0.00 2.41 0.00 0.00 30.24 31.55 1klg n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1klg s GLU 35 N -0.85 3.37 0.07 3.69 2.12 -1.26 -5.07 118.70 120.76 1klg s GLU 35 Ca 0.00 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 54.36 1klg s GLU 35 Cb 0.00 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.07 1klg s GLU 35 CO 0.00 -0.28 1.43 -2.00 -0.54 0.00 0.00 175.26 173.87 1klg s GLU 36 N 1.53 4.29 -0.14 4.30 2.12 -1.26 -0.99 118.70 128.55 1klg s GLU 36 Ca 0.05 2.07 -0.01 0.00 0.36 0.00 0.00 54.97 57.44 1klg s GLU 36 Cb -0.16 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.74 1klg s GLU 36 CO 0.01 -0.53 -0.14 -1.13 -0.54 0.00 0.00 175.26 172.93 1klg n SER 37 N 4.68 2.38 -4.21 -1.70 3.41 -0.09 -4.32 113.62 113.76 1klg n SER 37 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1klg n SER 37 Cb 0.42 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1klg n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1klg s VAL 38 N -2.27 1.00 0.05 -3.33 1.01 -1.23 0.20 120.40 115.83 1klg s VAL 38 Ca -0.19 -1.95 -0.27 0.00 0.00 0.00 0.00 61.98 59.58 1klg s VAL 38 Cb 0.06 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.80 1klg s VAL 38 CO 0.30 -0.75 0.70 0.00 0.00 0.00 0.00 175.10 175.35 1klg s ARG 39 N -3.59 1.10 -0.20 2.72 1.70 -0.98 -1.01 118.95 118.68 1klg s ARG 39 Ca 0.13 -0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.20 1klg s ARG 39 Cb 0.02 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.96 1klg s ARG 39 CO -0.01 -0.44 -0.10 0.12 -1.08 0.00 0.00 175.30 173.80 1klg s PHE 40 N -2.76 2.43 -0.28 5.89 2.19 0.34 -1.18 117.98 124.60 1klg s PHE 40 Ca -0.02 -1.63 -0.10 0.00 0.33 0.00 0.00 56.93 55.52 1klg s PHE 40 Cb -0.01 -1.63 -0.03 0.00 -1.31 0.00 0.00 43.02 40.04 1klg s PHE 40 CO -0.05 -0.75 0.14 0.34 1.83 0.00 0.00 175.22 176.73 1klg s ASP 41 N 1.39 5.60 0.61 6.13 -1.08 -1.25 -0.28 116.67 127.79 1klg s ASP 41 Ca -0.02 -0.25 0.33 0.00 -0.52 0.00 0.00 52.55 52.09 1klg s ASP 41 Cb -0.17 -2.02 1.97 0.00 -1.46 0.00 0.00 42.92 41.24 1klg s ASP 41 CO -0.08 -0.10 2.28 0.77 0.52 0.00 0.00 175.17 178.56 1klg h SER 42 N 8.33 0.00 1.18 -0.34 4.64 -0.93 0.51 113.55 126.95 1klg h SER 42 Ca -0.35 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.90 1klg h SER 42 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1klg h SER 42 CO 0.58 0.00 -0.32 0.44 -0.87 0.00 0.00 176.83 176.67 1klg h ASP 43 N 0.00 0.00 0.16 4.97 3.32 -1.93 -3.20 116.42 119.75 1klg h ASP 43 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1klg h ASP 43 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1klg h ASP 43 CO 0.00 0.32 -1.80 0.58 -1.72 0.00 0.00 179.24 176.62 1klg h VAL 44 N 0.00 0.84 0.00 -1.35 2.07 -0.54 -3.49 116.25 113.79 1klg h VAL 44 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1klg h VAL 44 Cb 0.99 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1klg h VAL 44 CO 0.04 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.09 1klg n GLY 45 N 1.89 0.75 3.54 2.17 0.00 0.60 -5.03 105.19 109.11 1klg n GLY 45 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1klg n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1klg s GLU 46 N -0.86 1.45 0.68 1.61 -1.05 -1.26 -4.90 118.70 114.37 1klg s GLU 46 Ca 0.00 -1.16 -0.13 0.00 -0.15 0.00 0.00 54.97 53.53 1klg s GLU 46 Cb 0.00 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.17 1klg s GLU 46 CO 0.00 -0.60 1.09 0.71 0.95 0.00 0.00 175.26 177.41 1klg s TYR 47 N -3.98 2.76 -0.15 4.83 2.02 -1.26 -3.97 117.35 117.60 1klg s TYR 47 Ca 0.19 1.52 -0.08 0.00 -0.37 0.00 0.00 57.07 58.33 1klg s TYR 47 Cb -0.00 -3.06 0.06 0.00 -0.40 0.00 0.00 41.96 38.56 1klg s TYR 47 CO 0.05 -1.53 0.35 1.03 -1.57 0.00 0.00 175.55 173.89 1klg s ARG 48 N -4.44 0.32 0.37 -0.62 1.81 -0.33 -4.97 118.95 111.09 1klg s ARG 48 Ca 0.63 0.72 -0.27 0.00 -1.72 0.00 0.00 55.73 55.10 1klg s ARG 48 Cb -0.18 -0.03 -0.09 0.00 -0.45 0.00 0.00 34.95 34.20 1klg s ARG 48 CO 0.46 -0.17 1.23 0.00 -0.68 0.00 0.00 175.30 176.15 1klg s ALA 49 N 1.48 3.31 -0.08 2.13 0.00 -1.26 -2.32 121.76 125.02 1klg s ALA 49 Ca -0.09 1.11 0.20 0.00 0.00 0.00 0.00 51.96 53.19 1klg s ALA 49 Cb -0.09 -3.43 -0.31 0.00 0.00 0.00 0.00 23.12 19.29 1klg s ALA 49 CO -0.11 -0.59 0.47 0.28 0.00 0.00 0.00 175.76 175.80 1klg n VAL 50 N 0.44 0.00 -3.92 0.00 0.31 0.54 -4.94 118.33 110.77 1klg n VAL 50 Ca 0.02 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 1klg n VAL 50 Cb 0.44 0.09 -0.06 0.00 -0.91 0.00 0.00 33.84 33.40 1klg n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1klg s THR 51 N -3.37 0.06 0.53 2.52 -4.23 -1.11 -4.95 115.64 105.09 1klg s THR 51 Ca -0.07 -1.28 0.20 0.00 -1.18 0.00 0.00 61.69 59.37 1klg s THR 51 Cb 0.13 -1.77 0.32 0.00 1.34 0.00 0.00 72.50 72.52 1klg s THR 51 CO 0.84 -0.29 2.10 -0.33 -0.54 0.00 0.00 174.62 176.40 1klg h GLU 52 N 2.50 0.00 -0.76 3.99 4.39 -1.93 -1.56 114.58 121.20 1klg h GLU 52 Ca -0.31 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.51 1klg h GLU 52 Cb 1.23 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 1klg h GLU 52 CO 0.47 0.00 0.50 1.25 -1.16 0.00 0.00 179.01 180.07 1klg h LEU 53 N 0.00 0.52 0.00 1.33 6.46 -1.96 -2.15 115.31 119.52 1klg h LEU 53 Ca 0.09 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1klg h LEU 53 Cb 0.36 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1klg h LEU 53 CO -0.00 0.29 -0.50 0.61 -0.62 0.00 0.00 178.44 178.22 1klg n GLY 54 N -1.48 -1.41 0.36 3.75 0.00 -0.59 -4.43 105.19 101.40 1klg n GLY 54 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1klg n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1klg h ARG 55 N 0.00 -0.04 -0.71 1.61 3.08 -1.39 -0.22 114.38 116.71 1klg h ARG 55 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1klg h ARG 55 Cb 0.67 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 1klg h ARG 55 CO 0.00 -0.03 0.19 -1.35 -1.07 0.00 0.00 179.97 177.71 1klg h PRO 56 N -0.04 0.29 -0.14 0.04 0.11 -1.79 -1.59 132.00 128.88 1klg h PRO 56 Ca 0.34 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1klg h PRO 56 Cb 0.60 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1klg h PRO 56 CO -0.90 0.19 -0.01 -0.44 -0.21 0.00 0.00 178.00 176.64 1klg h ASP 57 N 0.30 0.25 -0.59 -2.05 3.32 -1.35 -0.95 116.42 115.34 1klg h ASP 57 Ca 0.39 -0.33 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1klg h ASP 57 Cb 0.63 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1klg h ASP 57 CO -0.47 0.51 0.29 0.00 -1.72 0.00 0.00 179.24 177.85 1klg h ALA 58 N 0.74 0.78 -0.46 3.45 0.00 -1.08 0.35 119.26 123.04 1klg h ALA 58 Ca 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1klg h ALA 58 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1klg h ALA 58 CO 0.01 -0.07 0.16 0.93 0.00 0.00 0.00 179.25 180.27 1klg h GLU 59 N 0.54 0.71 -0.36 0.00 5.08 -1.20 -0.26 114.58 119.08 1klg h GLU 59 Ca 0.28 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 1klg h GLU 59 Cb 0.23 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1klg h GLU 59 CO -0.21 0.67 -0.43 -0.92 -1.00 0.00 0.00 179.01 177.11 1klg h TYR 60 N 0.60 1.12 -0.25 4.33 3.20 -0.58 -3.02 116.97 122.37 1klg h TYR 60 Ca 0.15 -0.36 -0.16 0.00 3.14 0.00 0.00 58.73 61.50 1klg h TYR 60 Cb 0.25 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1klg h TYR 60 CO 0.01 1.19 -0.51 -1.49 -1.64 0.00 0.00 178.16 175.72 1klg h TRP 61 N 0.74 0.86 0.00 -3.82 6.55 -0.21 -2.84 115.95 117.23 1klg h TRP 61 Ca 0.05 -0.29 0.00 0.00 0.95 0.00 0.00 58.89 59.60 1klg h TRP 61 Cb 1.03 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 29.16 1klg h TRP 61 CO 0.07 1.06 0.00 0.09 -1.05 0.00 0.00 178.44 178.61 1klg n ASN 62 N -3.99 0.43 -0.33 -3.49 3.02 -0.12 -1.86 115.26 108.91 1klg n ASN 62 Ca -0.03 0.61 0.13 0.00 -0.03 0.00 0.00 54.58 55.27 1klg n ASN 62 Cb 0.59 -0.70 0.60 0.00 -0.61 0.00 0.00 39.78 39.66 1klg n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1klg n SER 63 N -1.99 1.03 -4.13 6.41 3.41 -1.07 -4.59 113.62 112.70 1klg n SER 63 Ca 0.02 -1.41 -0.38 0.00 -0.26 0.00 0.00 58.87 56.85 1klg n SER 63 Cb 0.20 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.03 1klg n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1klg s GLN 64 N -1.96 2.53 0.21 4.33 -0.21 -0.78 -4.95 119.66 118.83 1klg s GLN 64 Ca 0.39 -2.32 -0.10 0.00 0.02 0.00 0.00 55.36 53.34 1klg s GLN 64 Cb 0.20 -3.78 0.29 0.00 1.00 0.00 0.00 33.01 30.73 1klg s GLN 64 CO 0.32 -1.17 1.70 0.87 -2.12 0.00 0.00 175.29 174.89 1klg h LYS 65 N 7.41 0.24 -0.94 2.91 6.56 -1.84 -0.43 116.57 130.46 1klg h LYS 65 Ca -0.05 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.57 1klg h LYS 65 Cb 0.99 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.54 1klg h LYS 65 CO 0.73 0.16 0.62 0.38 -2.06 0.00 0.00 179.45 179.27 1klg h ASP 66 N 0.24 1.02 -0.23 0.86 2.03 -1.96 0.17 116.42 118.57 1klg h ASP 66 Ca 0.31 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.59 1klg h ASP 66 Cb 0.47 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1klg h ASP 66 CO -0.41 0.70 0.09 0.25 -1.03 0.00 0.00 179.24 178.84 1klg h LEU 67 N 1.19 0.32 -0.73 0.15 5.85 -1.46 -1.64 115.31 118.99 1klg h LEU 67 Ca 0.37 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1klg h LEU 67 Cb 0.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1klg h LEU 67 CO -0.11 0.39 0.28 -0.07 -0.34 0.00 0.00 178.44 178.58 1klg h LEU 68 N 0.22 1.02 -0.09 2.25 4.07 -0.54 0.20 115.31 122.44 1klg h LEU 68 Ca 0.08 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1klg h LEU 68 Cb 0.17 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1klg h LEU 68 CO -0.01 0.93 0.04 -0.33 -1.08 0.00 0.00 178.44 177.99 1klg h GLU 69 N 1.06 0.13 -0.67 1.13 5.08 -0.53 0.21 114.58 120.99 1klg h GLU 69 Ca 0.24 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1klg h GLU 69 Cb 0.23 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1klg h GLU 69 CO -0.02 0.23 0.14 -0.56 -1.00 0.00 0.00 179.01 177.80 1klg h GLN 70 N 0.00 1.08 -0.45 2.33 -0.00 -1.16 -1.91 115.11 115.00 1klg h GLN 70 Ca 0.03 -0.27 -0.03 0.00 -0.00 0.00 0.00 58.65 58.38 1klg h GLN 70 Cb 0.15 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 27.47 1klg h GLN 70 CO -0.00 0.97 0.16 -0.09 -0.00 0.00 0.00 178.83 179.86 1klg h ARG 71 N 1.02 0.68 -0.72 0.06 9.65 -0.70 -1.39 114.38 122.99 1klg h ARG 71 Ca 0.21 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1klg h ARG 71 Cb 0.39 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 1klg h ARG 71 CO 0.01 0.64 0.44 0.00 2.80 0.00 0.00 179.97 183.86 1klg h ARG 72 N 0.58 0.96 -0.00 0.20 3.08 -0.33 -2.08 114.38 116.79 1klg h ARG 72 Ca 0.15 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1klg h ARG 72 Cb 0.23 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1klg h ARG 72 CO -0.01 0.67 -0.11 0.00 -1.07 0.00 0.00 179.97 179.45 1klg n ALA 73 N -2.43 2.75 0.23 0.04 0.00 -0.74 -3.95 120.51 116.41 1klg n ALA 73 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1klg n ALA 73 Cb 0.06 -1.34 0.52 0.00 0.00 0.00 0.00 19.45 18.69 1klg n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1klg h ALA 74 N 3.57 1.68 -0.22 0.00 0.00 -0.52 -0.41 119.26 123.37 1klg h ALA 74 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1klg h ALA 74 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1klg h ALA 74 CO 0.00 0.21 0.18 -0.39 0.00 0.00 0.00 179.25 179.25 1klg h VAL 75 N 0.00 0.74 0.00 0.00 -1.51 -1.74 0.34 116.25 114.08 1klg h VAL 75 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 1klg h VAL 75 Cb 0.31 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1klg h VAL 75 CO 0.02 0.00 -0.96 0.47 -1.23 0.00 0.00 177.57 175.87 1klg n ASP 76 N -4.24 1.86 0.24 4.19 8.00 -0.53 -1.41 116.55 124.66 1klg n ASP 76 Ca 0.02 0.51 0.16 0.00 0.71 0.00 0.00 54.79 56.19 1klg n ASP 76 Cb 0.32 -0.87 0.62 0.00 -0.02 0.00 0.00 41.12 41.17 1klg n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1klg h THR 77 N -1.00 0.00 0.00 -3.53 1.35 -1.04 -2.51 112.91 106.18 1klg h THR 77 Ca -0.15 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1klg h THR 77 Cb 0.88 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1klg h THR 77 CO -0.09 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.03 1klg n TYR 78 N -2.86 0.00 0.00 4.73 9.36 0.11 -4.56 117.16 123.94 1klg n TYR 78 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1klg n TYR 78 Cb 0.30 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1klg n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1klg h ARG 80 N 0.00 0.52 0.32 0.00 3.08 -1.31 0.42 114.38 117.40 1klg h ARG 80 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1klg h ARG 80 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1klg h ARG 80 CO 0.00 0.34 -0.15 1.25 -1.07 0.00 0.00 179.97 180.34 1klg h HIS 81 N 0.53 -0.40 0.00 3.04 2.76 -1.39 -1.90 115.15 117.80 1klg h HIS 81 Ca 0.38 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.49 1klg h HIS 81 Cb 0.71 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 1klg h HIS 81 CO -0.00 -0.19 -0.25 -0.91 -1.30 0.00 0.00 177.93 175.28 1klg h ASN 82 N -0.52 0.00 -0.49 3.26 2.35 0.21 -2.23 115.58 118.17 1klg h ASN 82 Ca -0.04 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1klg h ASN 82 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1klg h ASN 82 CO 0.07 0.25 0.01 0.22 -1.65 0.00 0.00 177.43 176.33 1klg h TYR 83 N 0.00 0.93 -0.12 1.19 5.03 -0.75 -1.28 116.97 121.98 1klg h TYR 83 Ca -0.00 -0.16 -0.06 0.00 2.58 0.00 0.00 58.73 61.08 1klg h TYR 83 Cb 0.48 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1klg h TYR 83 CO 0.00 0.88 -0.22 0.78 -1.32 0.00 0.00 178.16 178.28 1klg h GLY 84 N 0.71 0.22 0.62 1.82 0.00 -0.81 0.10 103.07 105.73 1klg h GLY 84 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1klg h GLY 84 CO 0.02 0.14 -0.28 -2.08 0.00 0.00 0.00 176.54 174.35 1klg h VAL 85 N 0.19 1.45 -0.01 4.60 2.07 -1.05 -3.36 116.25 120.14 1klg h VAL 85 Ca 0.03 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1klg h VAL 85 Cb 0.50 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1klg h VAL 85 CO 0.03 0.49 -0.61 0.61 0.02 0.00 0.00 177.57 178.12 1klg n GLY 86 N 0.74 -0.71 0.28 2.17 0.00 -0.51 -4.49 105.19 102.66 1klg n GLY 86 Ca -0.09 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.48 1klg n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1klg h GLU 87 N 0.87 0.19 -0.86 1.61 4.81 -0.94 -1.52 114.58 118.73 1klg h GLU 87 Ca 0.00 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 1klg h GLU 87 Cb 0.57 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 1klg h GLU 87 CO 0.00 0.13 0.56 0.66 -0.73 0.00 0.00 179.01 179.63 1klg h SER 88 N 0.19 0.55 -0.26 1.04 4.64 -1.83 -2.33 113.55 115.55 1klg h SER 88 Ca 0.44 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1klg h SER 88 Cb 0.79 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1klg h SER 88 CO -0.59 0.27 0.00 2.22 -0.87 0.00 0.00 176.83 177.86 1klg n PHE 89 N -4.54 0.58 0.00 4.77 -1.74 -0.63 -4.28 117.46 111.63 1klg n PHE 89 Ca 0.17 -0.68 0.00 0.00 -0.56 0.00 0.00 57.45 56.38 1klg n PHE 89 Cb 0.52 -0.15 0.00 0.00 1.52 0.00 0.00 39.48 41.37 1klg n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1klg n THR 90 N -0.09 0.00 -0.18 1.97 -2.24 -0.88 -4.45 114.28 108.41 1klg n THR 90 Ca 0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 1klg n THR 90 Cb 0.61 -0.43 0.36 0.00 -2.10 0.00 0.00 70.33 68.76 1klg n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1klg h VAL 91 N 0.00 1.02 -0.01 2.28 2.07 -1.67 -2.52 116.25 117.41 1klg h VAL 91 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1klg h VAL 91 Cb 0.00 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1klg h VAL 91 CO 0.00 0.14 -0.48 0.00 0.02 0.00 0.00 177.57 177.25 1klg n GLN 92 N -4.48 0.91 -1.70 1.57 6.02 -0.91 -4.96 117.38 113.83 1klg n GLN 92 Ca 0.11 -0.70 -0.42 0.00 -0.01 0.00 0.00 57.00 55.98 1klg n GLN 92 Cb 0.23 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1klg n GLN 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1klg n ARG 93 N -0.43 2.10 -3.68 -1.09 0.63 -0.95 -4.98 116.66 108.26 1klg n ARG 93 Ca 0.09 0.74 -0.09 0.00 -0.92 0.00 0.00 57.85 57.67 1klg n ARG 93 Cb 0.41 -2.37 -0.10 0.00 0.45 0.00 0.00 32.46 30.86 1klg n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1klg s ARG 94 N -2.00 0.41 -0.09 -0.14 0.52 -1.26 -4.19 118.95 112.20 1klg s ARG 94 Ca 0.57 0.93 -0.00 0.00 -0.52 0.00 0.00 55.73 56.71 1klg s ARG 94 Cb -0.54 0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.08 1klg s ARG 94 CO 0.61 -0.19 -0.06 0.08 0.02 0.00 0.00 175.30 175.76 1klg s VAL 95 N 1.84 0.84 0.35 3.52 1.01 -0.17 -4.96 120.40 122.83 1klg s VAL 95 Ca -0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1klg s VAL 95 Cb -0.09 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.32 1klg s VAL 95 CO -0.14 0.33 1.25 -0.70 0.00 0.00 0.00 175.10 175.84 1klg s GLU 96 N 1.51 4.29 0.39 2.72 2.12 -1.26 -1.86 118.70 126.62 1klg s GLU 96 Ca 0.00 2.07 -0.24 0.00 0.36 0.00 0.00 54.97 57.17 1klg s GLU 96 Cb -0.13 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 31.19 1klg s GLU 96 CO -0.05 -0.19 1.01 -1.25 -0.54 0.00 0.00 175.26 174.25 1klg s PRO 97 N -1.89 4.24 -0.30 4.30 0.04 -1.26 -4.52 135.00 135.61 1klg s PRO 97 Ca 0.51 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 1klg s PRO 97 Cb -0.37 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1klg s PRO 97 CO 0.48 -0.06 0.54 0.21 0.04 0.00 0.00 177.00 178.21 1klg s LYS 98 N -2.55 3.90 -0.11 4.56 2.36 0.37 -4.88 119.74 123.38 1klg s LYS 98 Ca 0.57 0.17 -0.00 0.00 -2.55 0.00 0.00 55.97 54.16 1klg s LYS 98 Cb -0.19 -3.72 -0.02 0.00 -1.05 0.00 0.00 37.83 32.85 1klg s LYS 98 CO 0.24 -0.49 -0.10 0.08 1.55 0.00 0.00 175.35 176.64 1klg s VAL 99 N 2.40 3.39 -0.04 4.02 1.01 -1.26 -1.50 120.40 128.41 1klg s VAL 99 Ca 0.21 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1klg s VAL 99 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1klg s VAL 99 CO 0.11 0.54 0.23 0.28 0.00 0.00 0.00 175.10 176.26 1klg s THR 100 N -0.02 0.04 -0.06 3.92 -1.32 -0.75 -5.00 115.64 112.44 1klg s THR 100 Ca -0.02 -0.36 0.05 0.00 -1.21 0.00 0.00 61.69 60.15 1klg s THR 100 Cb -0.14 -0.45 -0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1klg s THR 100 CO 0.03 -0.20 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.34 1klg s VAL 101 N -0.78 1.80 0.14 5.08 1.01 -1.26 -0.62 120.40 125.78 1klg s VAL 101 Ca -0.09 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1klg s VAL 101 Cb -0.05 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.85 1klg s VAL 101 CO 0.02 0.51 0.57 -0.72 0.00 0.00 0.00 175.10 175.48 1klg s TYR 102 N 0.06 -0.49 0.34 5.22 1.13 -0.76 -5.00 117.35 117.84 1klg s TYR 102 Ca -0.08 0.30 -0.26 0.00 -1.41 0.00 0.00 57.07 55.63 1klg s TYR 102 Cb -0.14 0.51 -0.10 0.00 -1.10 0.00 0.00 41.96 41.13 1klg s TYR 102 CO 0.04 -0.81 0.97 -1.25 -2.51 0.00 0.00 175.55 171.99 1klg s PRO 103 N -3.62 4.49 0.72 -3.49 0.04 -1.26 -0.18 135.00 131.70 1klg s PRO 103 Ca 0.01 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1klg s PRO 103 Cb -0.01 -2.74 0.03 0.00 0.04 0.00 0.00 34.50 31.82 1klg s PRO 103 CO -0.12 0.18 1.09 0.45 0.04 0.00 0.00 177.00 178.64 1klg s SER 104 N -1.59 4.83 -1.28 6.66 0.15 0.14 -4.83 113.70 117.77 1klg s SER 104 Ca 0.52 1.85 -0.06 0.00 0.70 0.00 0.00 55.95 58.96 1klg s SER 104 Cb -0.20 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 61.74 1klg s SER 104 CO 0.25 -1.82 2.21 0.29 1.20 0.00 0.00 173.24 175.38 1klg n LYS 105 N -3.10 4.49 0.10 5.44 4.01 -1.26 -4.44 118.16 123.41 1klg n LYS 105 Ca 0.09 -3.61 0.00 0.00 -0.51 0.00 0.00 58.31 54.28 1klg n LYS 105 Cb 0.53 -2.67 0.00 0.00 -0.51 0.00 0.00 35.03 32.38 1klg n LYS 105 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1klg n THR 106 N 1.86 0.17 -0.01 -0.18 -1.04 -1.26 -5.22 114.28 108.58 1klg n THR 106 Ca 0.56 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 1klg n THR 106 Cb 0.27 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1klg n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1klg n GLN 107 N -3.28 0.00 0.00 -2.82 3.00 -1.26 -5.11 117.38 107.91 1klg n GLN 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1klg n GLN 107 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 30.24 30.23 1klg n GLN 107 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1klg n HIS 111 N -0.31 0.00 -4.11 1.08 -0.00 -1.26 -5.10 115.22 105.52 1klg n HIS 111 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1klg n HIS 111 Cb 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.20 1klg n HIS 111 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1klg s HIS 112 N 0.00 3.08 -0.25 1.57 3.76 -1.26 -4.82 115.29 117.37 1klg s HIS 112 Ca 0.00 -0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1klg s HIS 112 Cb 0.00 -1.48 0.04 0.00 1.11 0.00 0.00 32.58 32.24 1klg s HIS 112 CO 0.00 0.52 -0.08 1.21 -0.85 0.00 0.00 174.74 175.54 1klg s ASN 113 N -3.05 4.28 -0.33 1.40 3.04 0.11 -4.93 114.94 115.47 1klg s ASN 113 Ca 0.30 -1.00 -0.26 0.00 0.04 0.00 0.00 52.86 51.94 1klg s ASN 113 Cb -0.10 -1.63 0.01 0.00 -1.54 0.00 0.00 41.25 37.99 1klg s ASN 113 CO 0.22 -0.14 0.93 -0.22 -3.04 0.00 0.00 177.10 174.85 1klg s LEU 114 N 1.27 4.01 0.02 3.21 0.20 -1.26 -2.24 118.68 123.88 1klg s LEU 114 Ca -0.02 0.78 -0.05 0.00 0.69 0.00 0.00 54.13 55.53 1klg s LEU 114 Cb -0.17 -3.29 -0.05 0.00 -0.43 0.00 0.00 46.19 42.25 1klg s LEU 114 CO -0.05 -0.77 0.26 -0.76 -0.29 0.00 0.00 176.35 174.73 1klg s LEU 115 N 3.34 4.36 -0.10 -0.68 1.43 -0.96 -0.69 118.68 125.38 1klg s LEU 115 Ca 0.39 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 1klg s LEU 115 Cb -0.13 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1klg s LEU 115 CO 0.15 0.23 -0.22 -0.69 0.23 0.00 0.00 176.35 176.05 1klg s VAL 116 N -1.35 1.95 -0.35 -1.59 1.01 0.75 -1.21 120.40 119.60 1klg s VAL 116 Ca 0.29 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1klg s VAL 116 Cb -0.13 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.61 1klg s VAL 116 CO 0.18 0.53 0.11 0.00 0.00 0.00 0.00 175.10 175.93 1klg s SER 118 N 1.54 6.49 -0.24 0.00 0.15 0.21 -1.57 113.70 120.29 1klg s SER 118 Ca -0.00 0.51 0.02 0.00 0.70 0.00 0.00 55.95 57.18 1klg s SER 118 Cb -0.21 -2.32 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1klg s SER 118 CO 0.00 -0.40 -0.11 -0.69 1.20 0.00 0.00 173.24 173.24 1klg s VAL 119 N 2.49 2.02 0.27 4.45 1.01 -0.25 -1.82 120.40 128.57 1klg s VAL 119 Ca 0.24 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1klg s VAL 119 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1klg s VAL 119 CO 0.10 0.06 0.16 -0.94 0.00 0.00 0.00 175.10 174.47 1klg s SER 120 N 1.19 1.03 -1.64 3.32 1.04 -0.56 -0.79 113.70 117.28 1klg s SER 120 Ca -0.06 -1.50 -0.01 0.00 0.48 0.00 0.00 55.95 54.86 1klg s SER 120 Cb -0.19 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1klg s SER 120 CO -0.07 -0.87 0.13 0.61 0.98 0.00 0.00 173.24 174.03 1klg n GLY 121 N -0.46 -0.50 3.72 7.32 0.00 -0.46 -0.48 105.19 114.33 1klg n GLY 121 Ca 0.02 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1klg n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1klg s PHE 122 N -3.02 2.90 -0.18 1.61 -0.71 -1.09 -4.62 117.98 112.87 1klg s PHE 122 Ca 0.07 -0.15 -0.16 0.00 -1.04 0.00 0.00 56.93 55.64 1klg s PHE 122 Cb -0.03 -1.32 0.05 0.00 -1.21 0.00 0.00 43.02 40.51 1klg s PHE 122 CO 0.09 0.56 0.48 -0.47 -1.34 0.00 0.00 175.22 174.54 1klg s TYR 123 N -2.12 -0.54 0.56 3.49 6.14 -0.78 -0.75 117.35 123.36 1klg s TYR 123 Ca 0.31 1.29 -0.09 0.00 0.64 0.00 0.00 57.07 59.22 1klg s TYR 123 Cb -0.08 0.19 0.14 0.00 0.42 0.00 0.00 41.96 42.63 1klg s TYR 123 CO 0.22 -0.26 0.48 -2.30 0.64 0.00 0.00 175.55 174.32 1klg n PRO 124 N 2.91 -2.12 0.12 4.97 -0.02 -1.26 -1.00 135.00 138.59 1klg n PRO 124 Ca -0.14 -0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 60.57 1klg n PRO 124 Cb 0.57 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 1klg n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1klg h GLY 125 N -1.57 0.00 -4.78 -1.23 0.00 -1.98 -3.45 103.07 90.06 1klg h GLY 125 Ca -0.18 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.61 1klg h GLY 125 CO 0.12 0.00 0.86 -1.35 0.00 0.00 0.00 176.54 176.17 1klg s SER 126 N -6.55 6.75 0.04 0.19 1.04 -1.26 -4.95 113.70 108.95 1klg s SER 126 Ca 0.03 2.33 -0.25 0.00 0.48 0.00 0.00 55.95 58.53 1klg s SER 126 Cb 0.09 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.70 1klg s SER 126 CO 0.77 -0.76 0.59 -0.51 0.98 0.00 0.00 173.24 174.30 1klg s ILE 127 N 2.02 0.01 -0.12 -1.02 -1.16 -1.26 -4.55 121.20 115.12 1klg s ILE 127 Ca 0.68 -0.11 -0.01 0.00 -0.51 0.00 0.00 60.65 60.69 1klg s ILE 127 Cb -0.36 -0.99 0.03 0.00 0.61 0.00 0.00 42.46 41.75 1klg s ILE 127 CO 0.30 -0.06 -0.03 -0.70 -2.81 0.00 0.00 174.94 171.63 1klg s GLU 128 N -2.37 1.09 -0.12 3.50 2.12 -0.18 -5.00 118.70 117.75 1klg s GLU 128 Ca -0.06 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.11 1klg s GLU 128 Cb -0.01 -1.51 0.00 0.00 0.26 0.00 0.00 34.13 32.88 1klg s GLU 128 CO -0.01 -0.35 -0.23 0.14 -0.54 0.00 0.00 175.26 174.27 1klg s VAL 129 N 1.80 2.05 0.13 3.70 -7.23 -1.26 -0.44 120.40 119.16 1klg s VAL 129 Ca 0.04 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 1klg s VAL 129 Cb -0.13 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1klg s VAL 129 CO -0.07 0.55 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.03 1klg s ARG 130 N 0.54 1.02 -0.02 4.82 0.52 0.80 -4.95 118.95 121.67 1klg s ARG 130 Ca -0.14 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 53.75 1klg s ARG 130 Cb -0.17 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 1klg s ARG 130 CO 0.04 0.10 -0.06 -1.58 0.02 0.00 0.00 175.30 173.83 1klg s TRP 131 N -2.84 2.93 -0.04 -0.53 0.52 -1.26 0.48 118.94 118.20 1klg s TRP 131 Ca 0.13 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1klg s TRP 131 Cb -0.01 -1.65 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1klg s TRP 131 CO 0.01 0.37 -0.04 -0.06 0.02 0.00 0.00 176.95 177.25 1klg s PHE 132 N -0.95 0.69 -0.38 -1.98 0.40 0.11 -0.92 117.98 114.95 1klg s PHE 132 Ca 0.16 -0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 56.23 1klg s PHE 132 Cb -0.11 -0.62 0.06 0.00 0.51 0.00 0.00 43.02 42.86 1klg s PHE 132 CO 0.06 -0.17 0.19 0.50 0.70 0.00 0.00 175.22 176.50 1klg s ARG 133 N 0.87 2.59 -0.95 0.44 3.52 -0.89 0.66 118.95 125.19 1klg s ARG 133 Ca -0.11 -1.35 -0.06 0.00 -0.13 0.00 0.00 55.73 54.08 1klg s ARG 133 Cb -0.14 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1klg s ARG 133 CO 0.00 -0.83 0.74 0.09 -0.81 0.00 0.00 175.30 174.48 1klg n ASN 134 N 4.86 -4.93 0.00 -2.12 3.02 -0.51 -3.10 115.26 112.47 1klg n ASN 134 Ca -0.11 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1klg n ASN 134 Cb 0.44 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.04 1klg n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1klg n GLY 135 N -1.48 0.51 2.95 7.41 0.00 -1.26 -5.04 105.19 108.28 1klg n GLY 135 Ca -0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1klg n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1klg s GLN 136 N -0.13 1.38 0.23 1.61 -2.07 -1.18 -5.07 119.66 114.44 1klg s GLN 136 Ca 0.00 -0.27 -0.23 0.00 -1.82 0.00 0.00 55.36 53.04 1klg s GLN 136 Cb 0.00 -1.28 -0.15 0.00 -1.09 0.00 0.00 33.01 30.50 1klg s GLN 136 CO 0.00 -0.08 0.34 -1.91 -1.32 0.00 0.00 175.29 172.32 1klg n GLU 137 N 4.18 0.00 -3.86 9.60 4.07 -1.26 -2.09 120.64 131.28 1klg n GLU 137 Ca -0.20 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.54 1klg n GLU 137 Cb 0.51 -0.89 -0.14 0.00 -0.06 0.00 0.00 31.44 30.87 1klg n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1klg s GLU 138 N -0.89 3.08 -0.14 5.31 0.41 -0.09 -4.78 118.70 121.60 1klg s GLU 138 Ca 0.55 -0.84 -0.10 0.00 -0.41 0.00 0.00 54.97 54.18 1klg s GLU 138 Cb -0.74 -3.15 -0.04 0.00 -1.78 0.00 0.00 34.13 28.42 1klg s GLU 138 CO 0.51 -0.37 -0.17 1.63 -0.49 0.00 0.00 175.26 176.38 1klg n LYS 139 N 4.78 0.46 -1.63 1.61 4.76 -1.26 -4.67 118.16 122.21 1klg n LYS 139 Ca -0.16 0.53 -0.30 0.00 -2.87 0.00 0.00 58.31 55.51 1klg n LYS 139 Cb 0.48 -1.69 0.08 0.00 -1.84 0.00 0.00 35.03 32.06 1klg n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1klg s ALA 140 N -2.72 2.37 0.00 7.82 0.00 -1.26 -3.94 121.76 124.02 1klg s ALA 140 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1klg s ALA 140 Cb 0.02 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1klg s ALA 140 CO 0.24 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1klg n GLY 141 N -2.33 2.58 3.75 0.00 0.00 -1.26 -4.92 105.19 103.00 1klg n GLY 141 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1klg n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1klg s VAL 142 N -1.52 3.97 -0.09 1.61 1.01 -1.25 -2.53 120.40 121.59 1klg s VAL 142 Ca 0.00 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.79 1klg s VAL 142 Cb 0.00 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1klg s VAL 142 CO 0.00 0.38 0.17 -0.69 0.00 0.00 0.00 175.10 174.96 1klg s VAL 143 N -0.74 -0.27 0.15 2.92 1.01 -0.80 -5.01 120.40 117.65 1klg s VAL 143 Ca 0.45 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.80 1klg s VAL 143 Cb -0.28 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1klg s VAL 143 CO 0.34 0.13 0.13 -0.55 0.00 0.00 0.00 175.10 175.15 1klg s SER 144 N 2.30 5.54 0.16 3.32 0.15 -1.26 -0.95 113.70 122.97 1klg s SER 144 Ca 0.03 -0.10 0.24 0.00 0.70 0.00 0.00 55.95 56.82 1klg s SER 144 Cb -0.12 -1.46 0.35 0.00 -1.71 0.00 0.00 66.02 63.08 1klg s SER 144 CO -0.06 0.09 1.35 0.00 1.20 0.00 0.00 173.24 175.81 1klg h THR 145 N 2.12 0.00 0.00 6.45 1.03 -1.78 -3.50 112.91 117.24 1klg h THR 145 Ca -0.47 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.34 1klg h THR 145 Cb 1.19 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1klg h THR 145 CO 0.64 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.76 1klg n GLY 146 N 1.30 0.92 3.68 2.99 0.00 -1.26 -4.92 105.19 107.89 1klg n GLY 146 Ca 0.03 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1klg n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1klg s LEU 147 N -1.03 4.33 -0.22 0.99 2.96 -1.26 -4.60 118.68 119.84 1klg s LEU 147 Ca 0.00 2.27 -0.06 0.00 -0.22 0.00 0.00 54.13 56.12 1klg s LEU 147 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1klg s LEU 147 CO 0.00 -0.85 0.04 -0.63 -1.32 0.00 0.00 176.35 173.59 1klg s ILE 148 N 3.09 4.20 -0.32 6.68 -1.09 0.50 -4.97 121.20 129.28 1klg s ILE 148 Ca 0.70 -0.22 -0.17 0.00 -2.23 0.00 0.00 60.65 58.73 1klg s ILE 148 Cb -0.35 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1klg s ILE 148 CO 0.29 0.39 0.47 -1.58 -1.23 0.00 0.00 174.94 173.27 1klg s GLN 149 N 1.25 3.74 0.00 2.79 0.74 -1.26 -1.01 119.66 125.90 1klg s GLN 149 Ca 0.04 -0.10 0.25 0.00 0.05 0.00 0.00 55.36 55.60 1klg s GLN 149 Cb -0.15 -3.76 1.20 0.00 1.10 0.00 0.00 33.01 31.40 1klg s GLN 149 CO 0.02 -0.52 1.83 0.09 -0.55 0.00 0.00 175.29 176.17 1klg n ASN 150 N 5.59 0.00 0.00 6.67 3.02 0.09 -4.89 115.26 125.74 1klg n ASN 150 Ca -0.06 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1klg n ASN 150 Cb 0.49 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1klg n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1klg n GLY 151 N 0.95 0.93 0.67 7.41 0.00 -1.26 -4.86 105.19 109.03 1klg n GLY 151 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1klg n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1klg n ASP 152 N 0.00 1.65 -2.20 1.61 5.75 -1.26 -4.93 116.55 117.17 1klg n ASP 152 Ca 0.00 -3.57 -0.15 0.00 -0.01 0.00 0.00 54.79 51.07 1klg n ASP 152 Cb 0.00 -0.49 0.03 0.00 -1.03 0.00 0.00 41.12 39.64 1klg n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1klg n TRP 153 N -0.92 -1.48 -3.95 2.11 7.02 -1.26 -5.02 117.44 113.94 1klg n TRP 153 Ca 0.17 0.45 -0.10 0.00 -1.02 0.00 0.00 57.50 57.00 1klg n TRP 153 Cb 0.74 -3.40 -0.10 0.00 -2.42 0.00 0.00 31.31 26.14 1klg n TRP 153 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1klg s THR 154 N -3.04 0.12 0.25 -0.99 2.01 -1.26 -4.65 115.64 108.08 1klg s THR 154 Ca 0.26 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1klg s THR 154 Cb -0.11 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1klg s THR 154 CO 0.32 -0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 173.39 1klg s PHE 155 N -1.96 1.61 0.15 4.92 0.40 0.07 -0.73 117.98 122.44 1klg s PHE 155 Ca -0.11 -1.01 -0.20 0.00 -0.60 0.00 0.00 56.93 55.02 1klg s PHE 155 Cb -0.05 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.57 1klg s PHE 155 CO -0.02 -0.13 0.51 1.14 0.70 0.00 0.00 175.22 177.42 1klg s GLN 156 N -3.92 1.19 -0.11 0.44 -2.07 -0.18 -1.36 119.66 113.65 1klg s GLN 156 Ca 0.32 -0.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.97 1klg s GLN 156 Cb 0.07 0.53 0.12 0.00 -1.09 0.00 0.00 33.01 32.64 1klg s GLN 156 CO 0.11 -0.50 0.94 -0.08 -1.32 0.00 0.00 175.29 174.44 1klg s THR 157 N -3.78 0.00 -0.06 3.63 -1.32 0.03 -0.37 115.64 113.76 1klg s THR 157 Ca 0.02 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.54 1klg s THR 157 Cb 0.00 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1klg s THR 157 CO -0.12 0.00 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.34 1klg s LEU 158 N -1.47 1.92 -0.28 9.08 1.43 -1.26 -1.09 118.68 127.01 1klg s LEU 158 Ca -0.01 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1klg s LEU 158 Cb -0.01 -1.10 0.09 0.00 0.03 0.00 0.00 46.19 45.20 1klg s LEU 158 CO -0.00 0.14 0.05 -0.69 0.23 0.00 0.00 176.35 176.08 1klg s VAL 159 N 0.21 1.22 0.58 -1.59 1.01 -0.61 -1.87 120.40 119.35 1klg s VAL 159 Ca -0.10 -1.40 -0.10 0.00 0.00 0.00 0.00 61.98 60.38 1klg s VAL 159 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1klg s VAL 159 CO 0.04 -0.47 0.97 -0.04 0.00 0.00 0.00 175.10 175.61 1klg s MET 160 N 1.48 3.61 -0.26 2.72 -1.94 -0.12 -2.43 119.30 122.36 1klg s MET 160 Ca 0.05 0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 54.65 1klg s MET 160 Cb -0.18 -2.15 0.10 0.00 2.01 0.00 0.00 34.83 34.62 1klg s MET 160 CO -0.16 -0.47 0.17 -1.17 -0.01 0.00 0.00 175.02 173.39 1klg s LEU 161 N -5.00 0.26 0.19 -0.03 2.96 -0.35 -1.90 118.68 114.81 1klg s LEU 161 Ca 0.54 -0.96 -0.31 0.00 -0.22 0.00 0.00 54.13 53.18 1klg s LEU 161 Cb -0.11 -0.06 -0.09 0.00 0.50 0.00 0.00 46.19 46.43 1klg s LEU 161 CO 0.50 -0.40 1.39 -0.70 -1.32 0.00 0.00 176.35 175.82 1klg s GLU 162 N 2.19 4.32 0.07 1.98 2.56 -1.05 -2.27 118.70 126.50 1klg s GLU 162 Ca 0.08 2.15 -0.07 0.00 0.00 0.00 0.00 54.97 57.13 1klg s GLU 162 Cb -0.15 -3.18 -0.01 0.00 2.00 0.00 0.00 34.13 32.79 1klg s GLU 162 CO -0.29 -0.38 0.15 0.95 -0.56 0.00 0.00 175.26 175.12 1klg s THR 163 N 0.45 0.15 -0.71 -1.70 -4.23 -0.95 -4.86 115.64 103.79 1klg s THR 163 Ca 0.61 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1klg s THR 163 Cb -0.39 -1.26 0.18 0.00 1.34 0.00 0.00 72.50 72.37 1klg s THR 163 CO 0.37 -0.68 0.53 -0.69 -0.54 0.00 0.00 174.62 173.61 1klg s VAL 164 N -3.56 3.62 0.28 2.29 1.01 -1.26 0.05 120.40 122.82 1klg s VAL 164 Ca 0.03 -3.54 -0.30 0.00 0.00 0.00 0.00 61.98 58.16 1klg s VAL 164 Cb 0.04 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 1klg s VAL 164 CO -0.09 -0.96 1.57 -2.16 0.00 0.00 0.00 175.10 173.46 1klg s PRO 165 N -0.76 4.15 -0.15 2.72 0.04 -1.26 -5.03 135.00 134.70 1klg s PRO 165 Ca 0.22 2.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.78 1klg s PRO 165 Cb -0.14 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.39 1klg s PRO 165 CO -0.08 -0.60 -0.06 1.03 0.04 0.00 0.00 177.00 177.32 1klg s ARG 166 N -0.34 1.49 -0.11 4.56 0.52 -1.26 -5.09 118.95 118.73 1klg s ARG 166 Ca 0.63 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 55.11 1klg s ARG 166 Cb -0.47 -1.89 -0.14 0.00 0.52 0.00 0.00 34.95 32.97 1klg s ARG 166 CO 0.46 -0.38 0.84 0.45 0.02 0.00 0.00 175.30 176.69 1klg n SER 167 N 4.89 0.26 0.00 0.23 2.88 -1.26 -1.12 113.62 119.50 1klg n SER 167 Ca -0.12 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1klg n SER 167 Cb 0.48 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1klg n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1klg n GLY 168 N 1.56 3.18 3.76 0.46 0.00 -1.26 -5.03 105.19 107.86 1klg n GLY 168 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1klg n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1klg s GLU 169 N -0.70 3.21 -0.32 1.61 2.02 -0.27 -4.79 118.70 119.46 1klg s GLU 169 Ca 0.00 1.79 0.03 0.00 0.02 0.00 0.00 54.97 56.81 1klg s GLU 169 Cb 0.00 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.28 1klg s GLU 169 CO 0.00 -1.01 0.04 0.08 0.02 0.00 0.00 175.26 174.40 1klg s VAL 170 N -1.61 1.93 -0.42 2.63 1.01 -1.26 -1.09 120.40 121.58 1klg s VAL 170 Ca 0.74 -2.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 1klg s VAL 170 Cb -0.29 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1klg s VAL 170 CO 0.33 -0.54 0.68 -0.31 0.00 0.00 0.00 175.10 175.25 1klg s TYR 171 N 1.10 3.07 -0.15 5.22 2.02 -0.65 -1.43 117.35 126.52 1klg s TYR 171 Ca 0.08 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.80 1klg s TYR 171 Cb -0.19 -3.38 -0.04 0.00 -0.40 0.00 0.00 41.96 37.95 1klg s TYR 171 CO -0.11 -0.85 0.08 0.99 -1.57 0.00 0.00 175.55 174.09 1klg s THR 172 N 2.91 4.99 -0.24 -0.71 2.01 0.21 -0.43 115.64 124.37 1klg s THR 172 Ca 0.25 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1klg s THR 172 Cb -0.14 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1klg s THR 172 CO 0.19 0.53 0.14 0.00 -0.69 0.00 0.00 174.62 174.79 1klg s GLN 174 N 1.20 3.09 -0.11 0.00 0.74 0.18 -2.16 119.66 122.60 1klg s GLN 174 Ca 0.07 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.79 1klg s GLN 174 Cb -0.14 -2.54 0.02 0.00 1.10 0.00 0.00 33.01 31.45 1klg s GLN 174 CO 0.05 0.35 -0.10 0.08 -0.55 0.00 0.00 175.29 175.12 1klg s VAL 175 N -0.00 1.17 -0.12 1.34 1.01 0.17 -0.14 120.40 123.83 1klg s VAL 175 Ca -0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1klg s VAL 175 Cb -0.14 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1klg s VAL 175 CO 0.04 0.39 -0.12 -1.61 0.00 0.00 0.00 175.10 173.80 1klg s GLU 176 N 1.41 3.27 -0.15 2.72 2.02 0.41 -0.45 118.70 127.95 1klg s GLU 176 Ca 0.00 -0.66 -0.22 0.00 0.02 0.00 0.00 54.97 54.11 1klg s GLU 176 Cb -0.13 -2.63 0.06 0.00 0.10 0.00 0.00 34.13 31.52 1klg s GLU 176 CO -0.06 0.30 0.57 -1.58 0.02 0.00 0.00 175.26 174.51 1klg s HIS 177 N 0.15 -0.58 0.59 1.61 2.46 -1.26 -1.01 115.29 117.24 1klg s HIS 177 Ca -0.06 1.26 0.33 0.00 0.47 0.00 0.00 55.06 57.06 1klg s HIS 177 Cb -0.15 0.25 1.30 0.00 -0.13 0.00 0.00 32.58 33.86 1klg s HIS 177 CO 0.04 -0.40 1.58 -1.35 -2.47 0.00 0.00 174.74 172.15 1klg h PRO 178 N 4.45 0.00 0.00 2.88 0.11 -1.93 0.34 132.00 137.84 1klg h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1klg h PRO 178 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1klg h PRO 178 CO 0.24 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.69 1klg h SER 179 N 0.00 0.00 -3.75 -2.05 4.64 -1.88 -3.44 113.55 107.07 1klg h SER 179 Ca 0.51 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.52 1klg h SER 179 Cb 2.51 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 64.31 1klg h SER 179 CO -0.01 0.00 -0.74 0.68 -0.87 0.00 0.00 176.83 175.89 1klg s VAL 180 N -3.36 0.26 0.06 0.95 -7.23 0.11 -4.88 120.40 106.31 1klg s VAL 180 Ca 0.04 -0.09 -0.24 0.00 -1.81 0.00 0.00 61.98 59.87 1klg s VAL 180 Cb 0.09 -0.26 -0.16 0.00 0.56 0.00 0.00 36.38 36.61 1klg s VAL 180 CO 0.45 0.10 1.62 0.71 -0.31 0.00 0.00 175.10 177.67 1klg h THR 181 N 5.37 1.00 -3.19 5.32 1.35 -1.85 -3.41 112.91 117.49 1klg h THR 181 Ca -0.31 -0.24 -0.66 0.00 -0.55 0.00 0.00 66.41 64.66 1klg h THR 181 Cb 1.18 1.15 -0.11 0.00 -1.73 0.00 0.00 68.15 68.64 1klg h THR 181 CO 0.50 0.06 -0.60 -0.94 -0.25 0.00 0.00 175.52 174.29 1klg s SER 182 N -5.21 5.48 0.76 5.36 1.04 -1.26 -5.04 113.70 114.83 1klg s SER 182 Ca -0.14 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.23 1klg s SER 182 Cb 0.05 -1.52 0.01 0.00 0.10 0.00 0.00 66.02 64.65 1klg s SER 182 CO 0.65 0.28 0.78 -0.81 0.98 0.00 0.00 173.24 175.12 1klg n PRO 183 N 1.27 0.28 -3.74 4.02 -0.04 -1.26 -4.96 135.00 130.57 1klg n PRO 183 Ca -0.14 0.15 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 1klg n PRO 183 Cb 0.53 -2.07 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1klg n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1klg s LEU 184 N -2.25 4.28 0.01 1.53 1.43 0.41 -4.93 118.68 119.17 1klg s LEU 184 Ca 0.69 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1klg s LEU 184 Cb -0.32 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1klg s LEU 184 CO 0.55 0.25 -0.16 0.42 0.23 0.00 0.00 176.35 177.64 1klg s THR 185 N -0.13 1.26 -0.08 5.49 -4.23 -1.26 -0.65 115.64 116.04 1klg s THR 185 Ca 0.12 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1klg s THR 185 Cb -0.12 -1.09 0.04 0.00 1.34 0.00 0.00 72.50 72.68 1klg s THR 185 CO 0.01 0.22 0.10 -0.69 -0.54 0.00 0.00 174.62 173.73 1klg s VAL 186 N -0.58 -0.17 0.04 2.29 1.01 -0.92 -4.98 120.40 117.10 1klg s VAL 186 Ca 0.05 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1klg s VAL 186 Cb -0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1klg s VAL 186 CO 0.00 0.10 0.23 -1.61 0.00 0.00 0.00 175.10 173.82 1klg s GLU 187 N 2.21 3.48 -0.18 2.72 2.02 -1.26 -1.32 118.70 126.37 1klg s GLU 187 Ca 0.04 -0.32 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 1klg s GLU 187 Cb -0.13 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 1klg s GLU 187 CO -0.05 0.62 -0.09 -0.46 0.02 0.00 0.00 175.26 175.29 1klg s TRP 188 N -1.45 2.89 -0.35 1.61 -0.11 0.43 -4.99 118.94 116.97 1klg s TRP 188 Ca 0.32 -0.94 -0.14 0.00 1.22 0.00 0.00 56.10 56.56 1klg s TRP 188 Cb -0.13 -1.99 -0.01 0.00 -1.50 0.00 0.00 33.47 29.84 1klg s TRP 188 CO 0.23 -0.47 0.31 1.03 -4.62 0.00 0.00 176.95 173.44 1klg s ARG 189 N 1.07 3.45 0.00 5.86 1.81 -1.26 -1.64 118.95 128.24 1klg s ARG 189 Ca 0.00 -0.59 0.20 0.00 -1.72 0.00 0.00 55.73 53.62 1klg s ARG 189 Cb -0.15 -3.83 1.17 0.00 -0.45 0.00 0.00 34.95 31.70 1klg s ARG 189 CO -0.02 -0.53 1.56 0.00 -0.68 0.00 0.00 175.30 175.63