#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2d s HIS 6 N 0.00 2.85 0.01 -1.55 3.76 -1.26 -5.12 115.29 113.99 1k2d s HIS 6 Ca 0.00 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 1k2d s HIS 6 Cb 0.00 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 1k2d s HIS 6 CO 0.00 0.26 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.04 1k2d s PHE 7 N -0.73 0.42 0.08 1.40 0.08 -1.26 -5.11 117.98 112.86 1k2d s PHE 7 Ca 0.11 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 56.85 1k2d s PHE 7 Cb -0.11 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.06 1k2d s PHE 7 CO 0.01 -0.06 0.10 0.08 -0.10 0.00 0.00 175.22 175.25 1k2d s VAL 8 N -0.68 0.17 0.13 -0.44 1.01 -1.26 -4.99 120.40 114.35 1k2d s VAL 8 Ca -0.05 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.52 1k2d s VAL 8 Cb -0.05 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1k2d s VAL 8 CO -0.00 -0.79 -0.14 0.68 0.00 0.00 0.00 175.10 174.86 1k2d s VAL 9 N -3.89 1.37 -0.05 2.92 -7.23 -1.26 0.17 120.40 112.43 1k2d s VAL 9 Ca 0.07 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1k2d s VAL 9 Cb 0.06 -1.62 0.02 0.00 0.56 0.00 0.00 36.38 35.39 1k2d s VAL 9 CO -0.10 -0.46 0.13 -1.10 -0.31 0.00 0.00 175.10 173.26 1k2d s GLN 10 N -2.87 0.14 -0.32 4.82 -0.21 -0.45 -4.85 119.66 115.91 1k2d s GLN 10 Ca 0.11 0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.73 1k2d s GLN 10 Cb -0.04 0.03 0.10 0.00 1.00 0.00 0.00 33.01 34.10 1k2d s GLN 10 CO 0.03 -0.04 0.04 0.12 -2.12 0.00 0.00 175.29 173.33 1k2d s PHE 11 N 0.24 3.30 -0.44 0.91 5.36 -1.26 -0.56 117.98 125.53 1k2d s PHE 11 Ca -0.01 -2.68 -0.07 0.00 -0.96 0.00 0.00 56.93 53.21 1k2d s PHE 11 Cb -0.03 -2.59 0.11 0.00 -0.34 0.00 0.00 43.02 40.18 1k2d s PHE 11 CO -0.01 -0.92 0.27 -0.65 -1.46 0.00 0.00 175.22 172.45 1k2d s GLN 12 N 1.07 2.34 -0.09 10.12 -0.21 -1.12 -4.98 119.66 126.79 1k2d s GLN 12 Ca 0.09 -1.71 -0.21 0.00 0.02 0.00 0.00 55.36 53.55 1k2d s GLN 12 Cb -0.19 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 1k2d s GLN 12 CO -0.11 -1.09 0.59 -1.25 -2.12 0.00 0.00 175.29 171.31 1k2d s PRO 13 N 1.30 4.39 -0.12 2.91 0.04 -1.26 -1.48 135.00 140.77 1k2d s PRO 13 Ca 0.06 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1k2d s PRO 13 Cb -0.24 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 30.87 1k2d s PRO 13 CO -0.01 0.10 -0.11 -0.06 0.04 0.00 0.00 177.00 176.96 1k2d s PHE 14 N 0.75 1.73 -0.49 0.56 0.08 -0.75 -5.00 117.98 114.86 1k2d s PHE 14 Ca 0.32 -0.87 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 1k2d s PHE 14 Cb -0.16 -1.33 0.12 0.00 -0.57 0.00 0.00 43.02 41.07 1k2d s PHE 14 CO 0.14 -0.52 0.38 0.00 -0.10 0.00 0.00 175.22 175.13 1k2d s TYR 16 N 1.43 3.19 0.08 0.00 2.02 -1.01 -4.95 117.35 118.12 1k2d s TYR 16 Ca 0.05 0.69 0.03 0.00 -0.37 0.00 0.00 57.07 57.47 1k2d s TYR 16 Cb -0.27 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.08 1k2d s TYR 16 CO 0.01 -0.56 0.10 -0.06 -1.57 0.00 0.00 175.55 173.46 1k2d s PHE 17 N 2.86 3.22 -0.18 2.71 0.08 -1.26 -1.31 117.98 124.10 1k2d s PHE 17 Ca 0.30 0.09 -0.05 0.00 0.12 0.00 0.00 56.93 57.38 1k2d s PHE 17 Cb -0.14 -1.63 0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1k2d s PHE 17 CO 0.13 0.53 0.35 0.99 -0.10 0.00 0.00 175.22 177.12 1k2d s THR 18 N -1.43 -0.55 -0.83 0.64 2.01 -1.24 -4.93 115.64 109.31 1k2d s THR 18 Ca 0.30 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.44 1k2d s THR 18 Cb -0.12 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 1k2d s THR 18 CO 0.23 0.05 0.74 0.59 -0.69 0.00 0.00 174.62 175.54 1k2d n ASN 19 N 5.37 -7.14 0.00 3.53 3.02 -1.26 -2.53 115.26 116.25 1k2d n ASN 19 Ca -0.07 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1k2d n ASN 19 Cb 0.50 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 1k2d n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2d n GLY 20 N -1.65 1.70 2.67 7.41 0.00 -1.26 -2.89 105.19 111.18 1k2d n GLY 20 Ca -0.05 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1k2d n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k2d n THR 21 N 0.00 3.45 0.00 2.61 -2.24 -1.26 -4.57 114.28 112.27 1k2d n THR 21 Ca 0.00 -3.55 0.00 0.00 -2.27 0.00 0.00 64.05 58.23 1k2d n THR 21 Cb 0.00 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1k2d n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2d n GLN 22 N 0.29 0.00 -2.57 -0.78 6.02 -1.14 -4.73 117.38 114.46 1k2d n GLN 22 Ca 0.51 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 57.13 1k2d n GLN 22 Cb 0.42 -0.48 0.01 0.00 1.02 0.00 0.00 30.24 31.20 1k2d n GLN 22 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1k2d n ARG 23 N -2.25 4.06 -2.70 -1.09 0.63 -1.05 -4.99 116.66 109.28 1k2d n ARG 23 Ca 0.00 -3.94 -0.42 0.00 -0.92 0.00 0.00 57.85 52.57 1k2d n ARG 23 Cb 0.00 -2.74 -0.03 0.00 0.45 0.00 0.00 32.46 30.14 1k2d n ARG 23 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1k2d s ILE 24 N -1.05 4.83 -0.39 5.15 1.01 -1.26 -3.64 121.20 125.86 1k2d s ILE 24 Ca 0.37 2.05 0.02 0.00 0.00 0.00 0.00 60.65 63.09 1k2d s ILE 24 Cb 0.09 -4.31 0.11 0.00 0.01 0.00 0.00 42.46 38.36 1k2d s ILE 24 CO 0.03 0.11 0.15 -0.60 0.00 0.00 0.00 174.94 174.64 1k2d s ARG 25 N 1.31 1.35 -0.20 2.79 3.52 -0.43 -4.96 118.95 122.33 1k2d s ARG 25 Ca 0.51 -1.87 -0.28 0.00 -0.13 0.00 0.00 55.73 53.96 1k2d s ARG 25 Cb -0.20 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1k2d s ARG 25 CO 0.25 -1.04 0.99 -0.47 -0.81 0.00 0.00 175.30 174.22 1k2d s TYR 26 N 0.70 3.38 0.27 5.12 6.04 -1.26 -2.41 117.35 129.19 1k2d s TYR 26 Ca 0.13 1.43 0.07 0.00 0.04 0.00 0.00 57.07 58.74 1k2d s TYR 26 Cb -0.21 -3.20 -0.06 0.00 -1.04 0.00 0.00 41.96 37.45 1k2d s TYR 26 CO -0.09 -0.40 -0.06 0.08 -1.54 0.00 0.00 175.55 173.54 1k2d s VAL 27 N 2.83 1.61 -0.28 3.14 1.01 -0.47 0.90 120.40 129.14 1k2d s VAL 27 Ca 0.43 -2.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 1k2d s VAL 27 Cb -0.16 -2.39 0.17 0.00 0.00 0.00 0.00 36.38 34.00 1k2d s VAL 27 CO 0.09 -0.34 0.53 -0.89 0.00 0.00 0.00 175.10 174.49 1k2d s THR 28 N -3.03 -0.87 0.22 3.92 2.01 -0.59 -1.82 115.64 115.48 1k2d s THR 28 Ca 0.29 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1k2d s THR 28 Cb 0.03 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 1k2d s THR 28 CO 0.11 -0.05 0.47 -0.13 -0.69 0.00 0.00 174.62 174.34 1k2d s ARG 29 N 2.75 3.65 -0.15 4.92 0.52 -0.55 -1.57 118.95 128.52 1k2d s ARG 29 Ca 0.17 -0.02 -0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1k2d s ARG 29 Cb -0.15 -2.74 0.03 0.00 0.52 0.00 0.00 34.95 32.62 1k2d s ARG 29 CO -0.20 0.34 -0.08 0.71 0.02 0.00 0.00 175.30 176.09 1k2d s TYR 30 N -1.86 1.79 0.16 -0.53 1.51 -0.44 -2.80 117.35 115.18 1k2d s TYR 30 Ca 0.43 -1.07 0.11 0.00 -1.01 0.00 0.00 57.07 55.53 1k2d s TYR 30 Cb -0.11 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1k2d s TYR 30 CO 0.26 -0.61 -0.24 0.42 -1.11 0.00 0.00 175.55 174.27 1k2d s ILE 31 N 1.61 2.22 -0.14 2.71 1.09 0.28 -0.54 121.20 128.43 1k2d s ILE 31 Ca 0.02 -1.89 -0.01 0.00 -1.10 0.00 0.00 60.65 57.67 1k2d s ILE 31 Cb -0.14 -2.01 0.03 0.00 -1.06 0.00 0.00 42.46 39.28 1k2d s ILE 31 CO -0.08 -0.06 -0.05 -0.47 -0.10 0.00 0.00 174.94 174.17 1k2d s TYR 32 N -1.46 1.46 0.00 3.97 5.04 -0.17 -1.34 117.35 124.85 1k2d s TYR 32 Ca 0.17 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 1k2d s TYR 32 Cb -0.09 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 41.01 1k2d s TYR 32 CO 0.08 -0.54 0.00 0.09 -1.34 0.00 0.00 175.55 173.83 1k2d n ASN 33 N 4.94 0.00 -2.59 4.32 3.02 0.45 -1.96 115.26 123.44 1k2d n ASN 33 Ca -0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.14 1k2d n ASN 33 Cb 0.49 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1k2d n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1k2d n ARG 34 N 13.99 3.28 -3.67 3.52 0.63 -1.26 -4.72 116.66 128.42 1k2d n ARG 34 Ca 0.00 -4.29 -0.11 0.00 -0.92 0.00 0.00 57.85 52.53 1k2d n ARG 34 Cb 0.00 -2.26 -0.12 0.00 0.45 0.00 0.00 32.46 30.54 1k2d n ARG 34 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1k2d s GLU 35 N -3.66 0.25 0.42 -0.14 2.12 -0.83 -5.16 118.70 111.70 1k2d s GLU 35 Ca 0.49 0.83 -0.22 0.00 0.36 0.00 0.00 54.97 56.43 1k2d s GLU 35 Cb 0.41 0.09 -0.10 0.00 0.26 0.00 0.00 34.13 34.78 1k2d s GLU 35 CO -0.24 -0.24 0.99 -1.83 -0.54 0.00 0.00 175.26 173.39 1k2d s GLU 36 N 2.23 4.19 0.00 4.30 -1.05 -1.26 -1.00 118.70 126.10 1k2d s GLU 36 Ca -0.02 1.28 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 1k2d s GLU 36 Cb -0.11 -2.33 0.00 0.00 -0.44 0.00 0.00 34.13 31.25 1k2d s GLU 36 CO -0.11 -0.08 0.00 2.48 0.95 0.00 0.00 175.26 178.50 1k2d n TYR 37 N -0.41 0.00 -3.89 4.83 4.11 0.30 -4.23 117.16 117.87 1k2d n TYR 37 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.86 1k2d n TYR 37 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.77 1k2d n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 1k2d s LEU 38 N 0.00 1.64 -0.22 -3.48 2.96 -1.19 -2.08 118.68 116.32 1k2d s LEU 38 Ca 0.00 -0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.32 1k2d s LEU 38 Cb 0.00 0.66 0.07 0.00 0.50 0.00 0.00 46.19 47.42 1k2d s LEU 38 CO 0.00 -0.43 0.71 -0.60 -1.32 0.00 0.00 176.35 174.71 1k2d s ARG 39 N -1.86 0.89 -0.30 1.98 3.52 -0.97 -1.33 118.95 120.87 1k2d s ARG 39 Ca -0.11 0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 56.29 1k2d s ARG 39 Cb -0.05 0.43 0.05 0.00 -1.56 0.00 0.00 34.95 33.82 1k2d s ARG 39 CO -0.01 -0.15 -0.00 0.12 -0.81 0.00 0.00 175.30 174.45 1k2d s PHE 40 N -0.00 3.27 -0.25 5.12 5.36 -0.61 -2.22 117.98 128.65 1k2d s PHE 40 Ca -0.03 -1.91 -0.04 0.00 -0.96 0.00 0.00 56.93 54.00 1k2d s PHE 40 Cb -0.04 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1k2d s PHE 40 CO 0.03 -0.81 -0.02 0.34 -1.46 0.00 0.00 175.22 173.30 1k2d s ASP 41 N 1.26 4.50 0.47 6.13 -1.08 -1.25 -1.53 116.67 125.16 1k2d s ASP 41 Ca -0.05 -0.69 0.30 0.00 -0.52 0.00 0.00 52.55 51.59 1k2d s ASP 41 Cb -0.20 -1.74 1.39 0.00 -1.46 0.00 0.00 42.92 40.92 1k2d s ASP 41 CO -0.01 -0.11 1.72 -1.28 0.52 0.00 0.00 175.17 176.01 1k2d h SER 42 N 8.10 0.21 0.18 -0.34 0.87 0.18 1.00 113.55 123.75 1k2d h SER 42 Ca -0.35 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 1k2d h SER 42 Cb 1.13 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1k2d h SER 42 CO 0.59 -0.02 -0.38 0.44 -0.53 0.00 0.00 176.83 176.93 1k2d h ASP 43 N 0.15 0.29 -0.01 6.23 5.19 -1.93 -2.75 116.42 123.59 1k2d h ASP 43 Ca 0.68 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1k2d h ASP 43 Cb 2.26 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 41.69 1k2d h ASP 43 CO -0.21 0.65 -0.64 0.52 -3.12 0.00 0.00 179.24 176.44 1k2d n VAL 44 N -4.05 0.00 -1.41 -1.35 0.31 0.17 -4.97 118.33 107.03 1k2d n VAL 44 Ca -0.01 -0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 1k2d n VAL 44 Cb 0.46 1.16 -0.04 0.00 -0.91 0.00 0.00 33.84 34.51 1k2d n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k2d n GLY 45 N 1.41 0.91 3.46 2.92 0.00 0.29 -4.89 105.19 109.29 1k2d n GLY 45 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1k2d n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k2d s GLU 46 N -3.09 1.18 0.54 1.61 2.12 -1.25 -4.99 118.70 114.82 1k2d s GLU 46 Ca 0.00 -0.20 -0.19 0.00 0.36 0.00 0.00 54.97 54.94 1k2d s GLU 46 Cb 0.00 0.55 -0.06 0.00 0.26 0.00 0.00 34.13 34.88 1k2d s GLU 46 CO 0.00 -0.47 1.09 0.71 -0.54 0.00 0.00 175.26 176.05 1k2d s TYR 47 N -2.80 2.82 -0.02 5.30 2.02 -1.26 -3.83 117.35 119.58 1k2d s TYR 47 Ca -0.03 1.55 -0.20 0.00 -0.37 0.00 0.00 57.07 58.02 1k2d s TYR 47 Cb -0.01 -3.16 0.04 0.00 -0.40 0.00 0.00 41.96 38.43 1k2d s TYR 47 CO -0.05 -1.27 0.44 1.03 -1.57 0.00 0.00 175.55 174.13 1k2d s ARG 48 N -3.44 0.81 -0.08 -0.62 1.81 -0.94 -5.00 118.95 111.48 1k2d s ARG 48 Ca 0.69 -0.06 -0.16 0.00 -1.72 0.00 0.00 55.73 54.49 1k2d s ARG 48 Cb -0.20 0.37 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 1k2d s ARG 48 CO 0.27 -0.24 0.40 0.00 -0.68 0.00 0.00 175.30 175.05 1k2d s ALA 49 N -1.36 3.59 -0.11 2.13 0.00 -1.26 -2.30 121.76 122.46 1k2d s ALA 49 Ca -0.12 -0.27 0.13 0.00 0.00 0.00 0.00 51.96 51.70 1k2d s ALA 49 Cb -0.03 -2.48 -0.24 0.00 0.00 0.00 0.00 23.12 20.37 1k2d s ALA 49 CO 0.06 0.21 0.42 0.28 0.00 0.00 0.00 175.76 176.73 1k2d n VAL 50 N 2.92 1.54 -4.12 0.00 0.31 -0.88 -4.97 118.33 113.12 1k2d n VAL 50 Ca -0.11 -0.81 -0.11 0.00 -0.01 0.00 0.00 64.34 63.31 1k2d n VAL 50 Cb 0.52 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.48 1k2d n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1k2d s THR 51 N -2.56 0.04 0.29 2.52 -4.23 -1.26 -4.97 115.64 105.48 1k2d s THR 51 Ca -0.08 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1k2d s THR 51 Cb 0.07 -2.23 0.33 0.00 1.34 0.00 0.00 72.50 72.01 1k2d s THR 51 CO 0.82 -0.19 1.63 -0.08 -0.54 0.00 0.00 174.62 176.26 1k2d h GLU 52 N 2.64 0.14 0.00 3.99 4.81 -1.94 0.16 114.58 124.38 1k2d h GLU 52 Ca -0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1k2d h GLU 52 Cb 1.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1k2d h GLU 52 CO 0.52 0.09 0.29 1.28 -0.73 0.00 0.00 179.01 180.46 1k2d n LEU 53 N -5.31 0.32 -0.01 1.64 4.77 -1.26 -1.51 117.00 115.63 1k2d n LEU 53 Ca 0.21 0.54 0.01 0.00 -0.03 0.00 0.00 56.01 56.74 1k2d n LEU 53 Cb 0.68 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 1k2d n LEU 53 CO 0.03 -0.65 -0.67 0.61 -1.33 0.00 0.00 177.39 175.39 1k2d n GLY 54 N -1.28 -1.10 0.31 -0.72 0.00 0.57 -4.47 105.19 98.51 1k2d n GLY 54 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 1k2d n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k2d h ARG 55 N 0.00 -0.14 0.00 1.61 2.43 -1.37 0.46 114.38 117.37 1k2d h ARG 55 Ca -0.22 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1k2d h ARG 55 Cb 1.57 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1k2d h ARG 55 CO 0.02 -0.10 0.11 -2.30 -1.51 0.00 0.00 179.97 176.20 1k2d n PRO 56 N -5.43 0.00 -0.01 0.20 -0.02 -1.26 -2.52 135.00 125.95 1k2d n PRO 56 Ca 0.04 0.32 -0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1k2d n PRO 56 Cb 0.34 -1.61 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 1k2d n PRO 56 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k2d n ASP 57 N -1.30 3.91 0.00 2.55 8.00 0.12 -4.83 116.55 125.00 1k2d n ASP 57 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k2d n ASP 57 Cb 0.11 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 1k2d n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k2d n ALA 58 N -1.97 0.00 -0.41 2.24 0.00 -0.97 -1.60 120.51 117.80 1k2d n ALA 58 Ca -0.05 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.72 1k2d n ALA 58 Cb 0.44 0.01 0.61 0.00 0.00 0.00 0.00 19.45 20.52 1k2d n ALA 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1k2d h GLU 59 N 0.00 0.17 -0.18 0.00 4.81 -1.91 -1.62 114.58 115.85 1k2d h GLU 59 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1k2d h GLU 59 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1k2d h GLU 59 CO 0.00 0.11 0.11 -0.92 -0.73 0.00 0.00 179.01 177.58 1k2d h TYR 60 N 0.17 0.22 -0.48 0.92 3.20 -1.62 -2.20 116.97 117.18 1k2d h TYR 60 Ca 0.75 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.52 1k2d h TYR 60 Cb 2.26 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.45 1k2d h TYR 60 CO -0.00 0.14 -0.11 1.88 -1.64 0.00 0.00 178.16 178.42 1k2d h TYR 61 N 0.23 1.03 -0.29 -3.82 0.99 -0.76 -0.83 116.97 113.52 1k2d h TYR 61 Ca 0.07 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.58 1k2d h TYR 61 Cb -0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 37.44 1k2d h TYR 61 CO -0.07 1.00 0.20 -0.91 -0.00 0.00 0.00 178.16 178.38 1k2d h ASN 62 N 0.77 0.33 0.51 3.88 2.35 -1.43 -1.72 115.58 120.26 1k2d h ASN 62 Ca 0.12 -0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.57 1k2d h ASN 62 Cb 0.66 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1k2d h ASN 62 CO 0.05 0.24 -1.50 0.11 -1.65 0.00 0.00 177.43 174.67 1k2d h LYS 63 N 0.39 0.19 0.20 0.81 1.57 -1.21 -3.33 116.57 115.20 1k2d h LYS 63 Ca 0.11 -0.33 -0.33 0.00 -1.87 0.00 0.00 60.65 58.23 1k2d h LYS 63 Cb -0.03 0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1k2d h LYS 63 CO -0.02 1.03 -1.52 0.37 -0.57 0.00 0.00 179.45 178.74 1k2d h GLN 64 N 0.05 0.43 -0.06 3.15 5.75 -0.86 -3.44 115.11 120.14 1k2d h GLN 64 Ca -0.22 -0.74 -0.17 0.00 -0.15 0.00 0.00 58.65 57.37 1k2d h GLN 64 Cb 1.99 0.27 -0.25 0.00 1.07 0.00 0.00 27.48 30.56 1k2d h GLN 64 CO 0.15 1.34 -0.62 2.48 -2.65 0.00 0.00 178.83 179.53 1k2d n TYR 67 N -3.62 -0.19 -0.13 3.99 0.18 -0.67 -4.92 117.16 111.79 1k2d n TYR 67 Ca -0.17 -0.92 -0.11 0.00 1.88 0.00 0.00 57.90 58.57 1k2d n TYR 67 Cb 1.08 0.39 0.01 0.00 -0.38 0.00 0.00 39.34 40.45 1k2d n TYR 67 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 1k2d h LEU 68 N 0.81 0.97 -1.62 -3.48 6.46 -1.66 -0.39 115.31 116.40 1k2d h LEU 68 Ca -0.39 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 56.96 1k2d h LEU 68 Cb 1.52 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 1k2d h LEU 68 CO -0.09 1.17 -0.00 -0.08 -0.62 0.00 0.00 178.44 178.82 1k2d h GLU 69 N 0.79 0.23 0.13 1.25 4.81 -1.91 -1.42 114.58 118.46 1k2d h GLU 69 Ca 0.09 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 59.00 1k2d h GLU 69 Cb 0.85 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.21 1k2d h GLU 69 CO 0.07 0.26 -1.25 0.00 -0.73 0.00 0.00 179.01 177.37 1k2d h ARG 70 N 0.23 0.51 0.19 1.92 2.47 -1.80 -3.07 114.38 114.84 1k2d h ARG 70 Ca 0.06 -0.72 -0.01 0.00 -1.26 0.00 0.00 59.98 58.04 1k2d h ARG 70 Cb 0.17 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1k2d h ARG 70 CO 0.00 1.32 -0.09 1.15 0.56 0.00 0.00 179.97 182.91 1k2d h THR 71 N 0.21 0.91 -0.99 2.04 2.02 -0.72 -2.76 112.91 113.62 1k2d h THR 71 Ca -0.17 -0.74 0.14 0.00 0.77 0.00 0.00 66.41 66.40 1k2d h THR 71 Cb 1.93 1.34 -0.09 0.00 -1.74 0.00 0.00 68.15 69.58 1k2d h THR 71 CO 0.23 0.16 0.61 0.03 0.37 0.00 0.00 175.52 176.92 1k2d h ARG 72 N -0.63 0.89 -0.87 6.66 3.08 -1.41 -1.16 114.38 120.93 1k2d h ARG 72 Ca -0.03 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.07 1k2d h ARG 72 Cb 0.46 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1k2d h ARG 72 CO 0.04 0.59 0.56 0.00 -1.07 0.00 0.00 179.97 180.09 1k2d h ALA 73 N 1.56 1.66 0.00 0.04 0.00 -1.41 -2.37 119.26 118.74 1k2d h ALA 73 Ca 0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1k2d h ALA 73 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1k2d h ALA 73 CO -0.30 0.16 -0.20 0.93 0.00 0.00 0.00 179.25 179.85 1k2d h GLU 74 N 0.85 0.00 0.00 0.00 5.08 -0.92 -1.86 114.58 117.73 1k2d h GLU 74 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1k2d h GLU 74 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1k2d h GLU 74 CO -0.17 0.20 0.15 -0.11 -1.00 0.00 0.00 179.01 178.08 1k2d n LEU 75 N -4.01 0.22 0.00 1.33 0.00 -0.89 0.14 117.00 113.78 1k2d n LEU 75 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 56.01 56.50 1k2d n LEU 75 Cb 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 43.42 43.19 1k2d n LEU 75 CO 0.34 -0.58 -0.45 0.47 0.00 0.00 0.00 177.39 177.17 1k2d n ASP 76 N -1.76 4.49 0.03 1.96 10.43 -0.87 -2.64 116.55 128.20 1k2d n ASP 76 Ca -0.01 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.47 1k2d n ASP 76 Cb 0.17 0.47 0.22 0.00 1.84 0.00 0.00 41.12 43.82 1k2d n ASP 76 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1k2d n THR 77 N -1.83 0.17 0.00 -3.53 -2.24 -0.60 -2.39 114.28 103.87 1k2d n THR 77 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1k2d n THR 77 Cb 0.43 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1k2d n THR 77 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k2d n VAL 78 N -1.80 0.00 0.00 2.28 0.31 0.36 -4.69 118.33 114.79 1k2d n VAL 78 Ca 0.04 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1k2d n VAL 78 Cb 0.39 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1k2d n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k2d h ARG 80 N 0.00 0.03 0.30 0.00 2.43 -1.70 -0.18 114.38 115.26 1k2d h ARG 80 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1k2d h ARG 80 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1k2d h ARG 80 CO 0.00 0.02 -0.14 -0.92 -1.51 0.00 0.00 179.97 177.42 1k2d h TYR 81 N 0.03 -0.37 -0.09 2.20 3.20 -1.43 -3.17 116.97 117.35 1k2d h TYR 81 Ca 0.58 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.48 1k2d h TYR 81 Cb 1.18 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 1k2d h TYR 81 CO -0.47 -0.20 -0.15 -0.91 -1.64 0.00 0.00 178.16 174.78 1k2d h ASN 82 N -0.44 -0.47 0.00 -2.11 2.35 0.16 1.13 115.58 116.20 1k2d h ASN 82 Ca -0.04 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1k2d h ASN 82 Cb 0.33 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1k2d h ASN 82 CO 0.07 -0.20 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 1k2d n TYR 83 N -5.29 0.00 0.00 1.19 4.19 -0.40 0.24 117.16 117.09 1k2d n TYR 83 Ca -0.04 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.17 1k2d n TYR 83 Cb 0.21 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.04 1k2d n TYR 83 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1k2d n GLU 84 N -0.63 0.00 -0.03 2.98 4.07 0.39 -1.11 120.64 126.31 1k2d n GLU 84 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 1k2d n GLU 84 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1k2d n GLU 84 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1k2d n THR 85 N 0.00 0.38 -0.04 6.31 -2.24 0.66 -4.74 114.28 114.61 1k2d n THR 85 Ca 0.00 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1k2d n THR 85 Cb 0.00 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.32 1k2d n THR 85 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k2d h GLU 86 N 0.00 0.03 -0.92 -0.78 4.39 -0.32 -3.17 114.58 113.82 1k2d h GLU 86 Ca -0.15 -0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.73 1k2d h GLU 86 Cb 1.29 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.77 1k2d h GLU 86 CO -0.01 0.74 -0.15 0.28 -1.16 0.00 0.00 179.01 178.71 1k2d n VAL 87 N -4.71 -0.38 1.46 3.13 0.31 -0.27 0.83 118.33 118.70 1k2d n VAL 87 Ca -0.09 2.07 0.14 0.00 -0.01 0.00 0.00 64.34 66.44 1k2d n VAL 87 Cb 0.37 -2.91 0.50 0.00 -0.91 0.00 0.00 33.84 30.89 1k2d n VAL 87 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1k2d n PRO 88 N -5.44 1.69 0.00 5.55 -0.04 -1.25 -3.62 135.00 131.89 1k2d n PRO 88 Ca 0.17 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1k2d n PRO 88 Cb 0.54 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1k2d n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1k2d n THR 89 N 0.22 0.00 -0.30 0.52 -2.24 0.24 -4.74 114.28 107.99 1k2d n THR 89 Ca 0.19 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.14 1k2d n THR 89 Cb 0.36 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.02 1k2d n THR 89 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1k2d h SER 90 N 0.00 0.56 1.34 3.42 0.02 -1.72 -1.05 113.55 116.12 1k2d h SER 90 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1k2d h SER 90 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1k2d h SER 90 CO 0.00 0.21 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.61 1k2d h LEU 91 N 0.55 0.00 0.03 5.07 3.38 -1.66 -3.29 115.31 119.39 1k2d h LEU 91 Ca 0.52 -0.06 -0.34 0.00 0.09 0.00 0.00 57.88 58.10 1k2d h LEU 91 Cb 1.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1k2d h LEU 91 CO -0.26 0.03 -2.01 -1.14 0.09 0.00 0.00 178.44 175.15 1k2d n ARG 92 N -2.32 0.68 -1.65 1.13 0.63 -0.54 -4.98 116.66 109.60 1k2d n ARG 92 Ca 0.05 0.21 -0.56 0.00 -0.92 0.00 0.00 57.85 56.62 1k2d n ARG 92 Cb 0.45 -1.68 -0.07 0.00 0.45 0.00 0.00 32.46 31.60 1k2d n ARG 92 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1k2d n ARG 93 N -3.10 1.01 -4.47 -0.14 0.63 -0.51 -4.99 116.66 105.09 1k2d n ARG 93 Ca -0.27 0.37 -0.22 0.00 -0.92 0.00 0.00 57.85 56.80 1k2d n ARG 93 Cb 1.07 -2.01 -0.16 0.00 0.45 0.00 0.00 32.46 31.80 1k2d n ARG 93 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1k2d s LEU 94 N 2.02 1.66 -0.11 6.15 1.43 -1.26 -4.22 118.68 124.36 1k2d s LEU 94 Ca 0.93 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1k2d s LEU 94 Cb -1.06 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1k2d s LEU 94 CO 0.58 0.04 -0.01 -1.61 0.23 0.00 0.00 176.35 175.58 1k2d s GLU 95 N 0.49 0.90 0.27 1.70 0.41 -0.64 -4.95 118.70 116.88 1k2d s GLU 95 Ca -0.09 -0.13 -0.29 0.00 -0.41 0.00 0.00 54.97 54.04 1k2d s GLU 95 Cb -0.13 -1.42 -0.09 0.00 -1.78 0.00 0.00 34.13 30.71 1k2d s GLU 95 CO 0.02 -0.37 1.16 -0.65 -0.49 0.00 0.00 175.26 174.93 1k2d s GLN 96 N 1.86 4.55 0.59 1.61 -0.21 -1.26 -2.02 119.66 124.78 1k2d s GLN 96 Ca 0.03 1.91 -0.15 0.00 0.02 0.00 0.00 55.36 57.17 1k2d s GLN 96 Cb -0.13 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 1k2d s GLN 96 CO -0.07 0.06 1.05 -1.25 -2.12 0.00 0.00 175.29 172.97 1k2d s PRO 97 N -1.27 3.34 -0.18 2.91 0.04 -1.26 -4.45 135.00 134.14 1k2d s PRO 97 Ca 0.47 1.17 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 1k2d s PRO 97 Cb -0.34 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1k2d s PRO 97 CO 0.43 -0.79 0.09 -0.80 0.04 0.00 0.00 177.00 175.97 1k2d s ASN 98 N -2.88 5.90 -0.16 6.66 0.01 0.18 -4.90 114.94 119.74 1k2d s ASN 98 Ca 0.63 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.97 1k2d s ASN 98 Cb -0.15 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.52 1k2d s ASN 98 CO 0.38 0.21 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.28 1k2d s VAL 99 N 0.18 2.02 0.03 1.60 1.01 -1.26 -0.86 120.40 123.13 1k2d s VAL 99 Ca 0.06 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1k2d s VAL 99 Cb -0.12 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1k2d s VAL 99 CO -0.00 0.54 -0.11 0.68 0.00 0.00 0.00 175.10 176.20 1k2d s VAL 100 N 1.10 0.85 -0.05 2.92 -7.23 -0.56 -4.98 120.40 112.45 1k2d s VAL 100 Ca -0.00 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1k2d s VAL 100 Cb -0.14 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1k2d s VAL 100 CO -0.08 -0.06 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.90 1k2d s ILE 101 N -0.84 3.30 0.08 -0.62 1.01 -1.26 -0.81 121.20 122.06 1k2d s ILE 101 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1k2d s ILE 101 Cb -0.07 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1k2d s ILE 101 CO 0.01 0.58 0.11 -0.94 0.00 0.00 0.00 174.94 174.70 1k2d s SER 102 N -0.82 0.25 -0.13 3.58 1.04 -0.67 -4.98 113.70 111.98 1k2d s SER 102 Ca 0.12 -0.81 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 1k2d s SER 102 Cb -0.11 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1k2d s SER 102 CO 0.01 -0.70 -0.03 -0.22 0.98 0.00 0.00 173.24 173.28 1k2d s LEU 103 N -2.90 3.31 0.20 2.42 2.96 -1.26 -0.23 118.68 123.18 1k2d s LEU 103 Ca 0.07 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 1k2d s LEU 103 Cb 0.06 -1.78 0.15 0.00 0.50 0.00 0.00 46.19 45.12 1k2d s LEU 103 CO -0.09 0.24 1.85 0.28 -1.32 0.00 0.00 176.35 177.31 1k2d h SER 104 N 6.19 0.89 -1.93 3.68 0.02 -1.53 -3.45 113.55 117.42 1k2d h SER 104 Ca -0.38 -0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 59.94 1k2d h SER 104 Cb 1.19 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 1k2d h SER 104 CO 0.60 0.68 -0.61 -0.13 -1.14 0.00 0.00 176.83 176.23 1k2d s ARG 105 N -6.00 2.13 0.49 3.45 0.52 -1.26 -5.03 118.95 113.25 1k2d s ARG 105 Ca -0.13 -1.70 -0.24 0.00 -0.52 0.00 0.00 55.73 53.14 1k2d s ARG 105 Cb 0.15 -1.98 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 1k2d s ARG 105 CO 0.79 0.15 1.37 2.41 0.02 0.00 0.00 175.30 180.04 1k2d n THR 106 N -0.98 3.21 -1.63 0.02 -1.04 -1.26 -4.91 114.28 107.68 1k2d n THR 106 Ca -0.04 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.09 1k2d n THR 106 Cb 0.62 -1.72 0.05 0.00 -1.82 0.00 0.00 70.33 67.45 1k2d n THR 106 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1k2d n GLU 107 N -0.51 1.02 -3.81 -2.82 4.07 -1.26 -5.02 120.64 112.30 1k2d n GLU 107 Ca 0.08 0.39 -0.05 0.00 -0.06 0.00 0.00 57.16 57.51 1k2d n GLU 107 Cb 0.43 -2.22 -0.01 0.00 -0.06 0.00 0.00 31.44 29.58 1k2d n GLU 107 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k2d s ALA 108 N -1.47 -1.38 -2.68 4.31 0.00 -1.26 -5.10 121.76 114.18 1k2d s ALA 108 Ca 0.75 -0.17 0.25 0.00 0.00 0.00 0.00 51.96 52.78 1k2d s ALA 108 Cb -0.43 0.74 0.38 0.00 0.00 0.00 0.00 23.12 23.82 1k2d s ALA 108 CO 0.48 -1.04 1.36 1.28 0.00 0.00 0.00 175.76 177.84 1k2d n LEU 109 N -0.49 2.41 0.00 0.00 4.77 -1.26 -4.62 117.00 117.82 1k2d n LEU 109 Ca -0.05 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1k2d n LEU 109 Cb 0.60 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1k2d n LEU 109 CO 0.16 0.41 0.00 -3.20 -1.33 0.00 0.00 177.39 173.43 1k2d n ASN 110 N 0.77 0.00 -4.73 -1.43 4.05 -1.23 -4.45 115.26 108.25 1k2d n ASN 110 Ca 0.14 -0.71 -0.41 0.00 0.45 0.00 0.00 54.58 54.06 1k2d n ASN 110 Cb 0.51 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.48 1k2d n ASN 110 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1k2d s HIS 111 N 0.00 3.80 0.01 1.20 3.76 -1.26 -4.88 115.29 117.92 1k2d s HIS 111 Ca 0.00 1.74 -0.30 0.00 -0.15 0.00 0.00 55.06 56.34 1k2d s HIS 111 Cb 0.00 -3.01 -0.06 0.00 1.11 0.00 0.00 32.58 30.62 1k2d s HIS 111 CO 0.00 0.22 1.41 -1.58 -0.85 0.00 0.00 174.74 173.94 1k2d s HIS 112 N -0.01 2.85 0.00 1.40 2.46 -1.26 -4.02 115.29 116.72 1k2d s HIS 112 Ca 0.45 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.79 1k2d s HIS 112 Cb -0.23 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 1k2d s HIS 112 CO 0.28 -2.50 0.00 -1.71 -2.47 0.00 0.00 174.74 168.34 1k2d n ASN 113 N 5.31 1.18 -3.62 9.88 2.85 -0.01 -4.98 115.26 125.87 1k2d n ASN 113 Ca 0.13 -0.47 -0.19 0.00 -0.11 0.00 0.00 54.58 53.95 1k2d n ASN 113 Cb 0.43 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.30 1k2d n ASN 113 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1k2d s THR 114 N -0.56 -0.23 0.22 -0.44 2.01 -1.26 -2.42 115.64 112.96 1k2d s THR 114 Ca 0.00 0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.90 1k2d s THR 114 Cb 0.00 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1k2d s THR 114 CO 0.00 0.01 0.90 -0.76 -0.69 0.00 0.00 174.62 174.09 1k2d s LEU 115 N 2.26 4.63 -0.16 4.42 1.43 -0.71 -1.20 118.68 129.36 1k2d s LEU 115 Ca 0.04 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1k2d s LEU 115 Cb -0.13 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.58 1k2d s LEU 115 CO -0.07 0.16 -0.11 -0.69 0.23 0.00 0.00 176.35 175.87 1k2d s VAL 116 N -1.14 1.46 -0.55 -1.59 1.01 0.68 -0.73 120.40 119.53 1k2d s VAL 116 Ca 0.40 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1k2d s VAL 116 Cb -0.25 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 34.76 1k2d s VAL 116 CO 0.31 0.33 0.62 0.00 0.00 0.00 0.00 175.10 176.35 1k2d s SER 118 N 3.31 6.69 -0.38 0.00 0.01 0.01 -2.09 113.70 121.24 1k2d s SER 118 Ca 0.10 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.93 1k2d s SER 118 Cb -0.24 -2.47 0.09 0.00 0.21 0.00 0.00 66.02 63.61 1k2d s SER 118 CO 0.07 -0.87 0.16 -0.69 0.41 0.00 0.00 173.24 172.32 1k2d s VAL 119 N 3.52 3.35 0.37 3.43 1.01 -0.42 -1.50 120.40 130.17 1k2d s VAL 119 Ca 0.39 -1.80 0.06 0.00 0.00 0.00 0.00 61.98 60.62 1k2d s VAL 119 Cb -0.12 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1k2d s VAL 119 CO 0.19 -0.53 0.03 0.42 0.00 0.00 0.00 175.10 175.21 1k2d s THR 120 N 1.21 1.66 -1.53 3.92 -4.23 -0.04 -1.19 115.64 115.45 1k2d s THR 120 Ca 0.04 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 1k2d s THR 120 Cb -0.22 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 70.80 1k2d s THR 120 CO -0.03 -0.00 0.88 0.47 -0.54 0.00 0.00 174.62 175.41 1k2d n ASP 121 N -0.85 -4.59 -4.88 3.99 8.00 -0.56 -0.64 116.55 117.01 1k2d n ASP 121 Ca -0.04 -0.73 -0.21 0.00 0.71 0.00 0.00 54.79 54.52 1k2d n ASP 121 Cb 0.67 -3.69 -0.03 0.00 -0.02 0.00 0.00 41.12 38.05 1k2d n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1k2d s PHE 122 N -3.24 2.96 -0.28 1.24 -0.71 -0.92 -4.43 117.98 112.60 1k2d s PHE 122 Ca 0.63 -0.27 -0.20 0.00 -1.04 0.00 0.00 56.93 56.04 1k2d s PHE 122 Cb -0.32 -1.81 0.11 0.00 -1.21 0.00 0.00 43.02 39.79 1k2d s PHE 122 CO 0.78 0.17 0.89 -0.47 -1.34 0.00 0.00 175.22 175.24 1k2d s TYR 123 N -2.27 -0.69 1.24 3.49 6.14 -0.86 0.11 117.35 124.52 1k2d s TYR 123 Ca 0.41 1.50 -0.21 0.00 0.64 0.00 0.00 57.07 59.41 1k2d s TYR 123 Cb -0.07 0.40 0.31 0.00 0.42 0.00 0.00 41.96 43.03 1k2d s TYR 123 CO 0.27 -0.34 1.10 -0.35 0.64 0.00 0.00 175.55 176.87 1k2d n PRO 124 N 3.21 -3.20 0.30 4.97 -0.04 -1.26 -1.63 135.00 137.35 1k2d n PRO 124 Ca -0.16 -1.76 0.19 0.00 -0.04 0.00 0.00 63.50 61.73 1k2d n PRO 124 Cb 0.57 -1.65 0.86 0.00 -0.04 0.00 0.00 33.50 33.24 1k2d n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2d h ALA 125 N -2.77 1.00 -2.34 0.55 0.00 -2.00 -3.44 119.26 110.27 1k2d h ALA 125 Ca -0.41 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 1k2d h ALA 125 Cb 1.27 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.07 1k2d h ALA 125 CO 0.27 0.00 1.25 0.21 0.00 0.00 0.00 179.25 180.98 1k2d s LYS 126 N -3.83 4.09 0.06 0.00 2.36 -1.26 -4.95 119.74 116.20 1k2d s LYS 126 Ca -0.01 2.59 -0.21 0.00 -2.55 0.00 0.00 55.97 55.79 1k2d s LYS 126 Cb 0.10 -4.18 0.05 0.00 -1.05 0.00 0.00 37.83 32.75 1k2d s LYS 126 CO 0.50 -1.02 0.50 -1.50 1.55 0.00 0.00 175.35 175.38 1k2d s ILE 127 N 4.67 0.04 -0.05 5.43 2.07 -1.26 -4.39 121.20 127.71 1k2d s ILE 127 Ca 0.89 -0.30 -0.02 0.00 -1.41 0.00 0.00 60.65 59.82 1k2d s ILE 127 Cb -0.42 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 41.21 1k2d s ILE 127 CO 0.41 -0.16 0.05 -0.75 -1.91 0.00 0.00 174.94 172.58 1k2d s LYS 128 N -2.62 0.07 -0.08 3.50 2.20 -0.67 -4.99 119.74 117.16 1k2d s LYS 128 Ca -0.04 0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.92 1k2d s LYS 128 Cb -0.00 -0.65 -0.01 0.00 -1.51 0.00 0.00 37.83 35.65 1k2d s LYS 128 CO -0.03 -0.34 -0.24 0.08 -0.36 0.00 0.00 175.35 174.46 1k2d s VAL 129 N 2.13 2.10 0.01 4.02 1.01 -1.26 -0.88 120.40 127.52 1k2d s VAL 129 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1k2d s VAL 129 Cb -0.12 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1k2d s VAL 129 CO -0.04 0.56 -0.02 -0.13 0.00 0.00 0.00 175.10 175.48 1k2d s ARG 130 N 0.10 0.19 -0.02 2.72 0.52 0.14 -4.96 118.95 117.64 1k2d s ARG 130 Ca -0.12 -0.22 -0.05 0.00 -0.52 0.00 0.00 55.73 54.82 1k2d s ARG 130 Cb -0.16 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.19 1k2d s ARG 130 CO 0.06 0.01 0.22 -1.58 0.02 0.00 0.00 175.30 174.04 1k2d s TRP 131 N -0.44 3.57 -0.01 -0.53 0.52 -1.26 0.74 118.94 121.53 1k2d s TRP 131 Ca -0.04 0.50 0.02 0.00 0.02 0.00 0.00 56.10 56.60 1k2d s TRP 131 Cb -0.03 -1.93 -0.00 0.00 -1.15 0.00 0.00 33.47 30.35 1k2d s TRP 131 CO -0.00 0.64 -0.06 -0.06 0.02 0.00 0.00 176.95 177.49 1k2d s PHE 132 N -1.26 0.52 -0.18 -1.98 0.40 0.12 -1.68 117.98 113.92 1k2d s PHE 132 Ca 0.25 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1k2d s PHE 132 Cb -0.13 -0.34 -0.00 0.00 0.51 0.00 0.00 43.02 43.06 1k2d s PHE 132 CO 0.15 -0.02 -0.13 0.50 0.70 0.00 0.00 175.22 176.43 1k2d s ARG 133 N -0.09 3.24 -0.78 0.44 3.52 0.14 -0.45 118.95 124.98 1k2d s ARG 133 Ca 0.02 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.85 1k2d s ARG 133 Cb -0.03 -2.73 0.04 0.00 -1.56 0.00 0.00 34.95 30.68 1k2d s ARG 133 CO -0.00 -0.06 0.18 0.09 -0.81 0.00 0.00 175.30 174.69 1k2d n ASN 134 N 4.30 -2.53 0.00 -2.12 3.02 0.28 -1.09 115.26 117.12 1k2d n ASN 134 Ca -0.19 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1k2d n ASN 134 Cb 0.51 -2.20 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 1k2d n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2d n GLY 135 N -0.80 0.88 3.46 7.41 0.00 -1.26 -5.00 105.19 109.87 1k2d n GLY 135 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1k2d n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k2d s GLN 136 N -0.84 2.13 -0.20 1.61 -1.52 -0.25 -5.04 119.66 115.55 1k2d s GLN 136 Ca 0.00 -0.94 -0.28 0.00 -1.95 0.00 0.00 55.36 52.18 1k2d s GLN 136 Cb 0.00 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.53 1k2d s GLN 136 CO 0.00 0.55 2.09 -1.83 -0.25 0.00 0.00 175.29 175.85 1k2d s GLU 137 N -1.37 3.32 0.00 2.91 1.03 -1.26 -0.68 118.70 122.65 1k2d s GLU 137 Ca 0.14 1.99 -0.30 0.00 0.03 0.00 0.00 54.97 56.84 1k2d s GLU 137 Cb -0.11 -4.30 -0.07 0.00 -0.80 0.00 0.00 34.13 28.85 1k2d s GLU 137 CO 0.05 -1.88 1.80 -1.21 -1.33 0.00 0.00 175.26 172.68 1k2d s GLU 138 N 5.92 4.16 -0.45 -4.83 0.41 -0.68 -4.89 118.70 118.35 1k2d s GLU 138 Ca 0.94 2.40 0.09 0.00 -0.41 0.00 0.00 54.97 57.99 1k2d s GLU 138 Cb -0.32 -4.03 0.37 0.00 -1.78 0.00 0.00 34.13 28.38 1k2d s GLU 138 CO 0.35 -0.89 0.91 0.25 -0.49 0.00 0.00 175.26 175.40 1k2d n THR 139 N 5.44 1.63 0.00 3.63 -2.24 -1.26 -4.79 114.28 116.69 1k2d n THR 139 Ca 0.18 -4.79 0.00 0.00 -2.27 0.00 0.00 64.05 57.18 1k2d n THR 139 Cb 0.42 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1k2d n THR 139 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k2d n VAL 140 N -0.09 0.00 -1.85 2.28 0.31 -1.26 -4.99 118.33 112.73 1k2d n VAL 140 Ca 0.27 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.26 1k2d n VAL 140 Cb 0.59 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.56 1k2d n VAL 140 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k2d n GLY 141 N 0.90 5.84 3.90 2.92 0.00 -1.26 -4.98 105.19 112.51 1k2d n GLY 141 Ca 0.00 -2.50 -0.33 0.00 0.00 0.00 0.00 46.02 43.19 1k2d n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k2d s VAL 142 N -5.01 5.38 0.15 1.61 1.01 -1.26 -0.20 120.40 122.08 1k2d s VAL 142 Ca 0.55 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1k2d s VAL 142 Cb 0.45 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 33.33 1k2d s VAL 142 CO -0.19 0.27 0.50 -0.94 0.00 0.00 0.00 175.10 174.74 1k2d s SER 143 N -2.10 -0.37 0.11 3.32 1.04 -0.50 -5.01 113.70 110.19 1k2d s SER 143 Ca 0.29 -0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 1k2d s SER 143 Cb -0.13 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1k2d s SER 143 CO 0.21 -0.93 0.35 -0.94 0.98 0.00 0.00 173.24 172.92 1k2d s SER 144 N -2.79 -0.16 0.73 7.02 1.04 -1.26 0.45 113.70 118.73 1k2d s SER 144 Ca 0.03 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 1k2d s SER 144 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1k2d s SER 144 CO -0.11 -0.81 1.07 0.42 0.98 0.00 0.00 173.24 174.80 1k2d s THR 145 N -3.69 3.71 0.91 2.02 -4.23 -0.12 -5.01 115.64 109.23 1k2d s THR 145 Ca 0.03 0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1k2d s THR 145 Cb 0.02 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.69 1k2d s THR 145 CO -0.11 -0.72 1.09 -1.10 -0.54 0.00 0.00 174.62 173.24 1k2d s GLN 146 N -5.10 1.14 0.19 3.99 -1.52 -1.26 -4.68 119.66 112.43 1k2d s GLN 146 Ca 0.59 0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 54.60 1k2d s GLN 146 Cb -0.14 -1.79 -0.10 0.00 -0.22 0.00 0.00 33.01 30.76 1k2d s GLN 146 CO 0.55 -2.35 1.54 -1.17 -0.25 0.00 0.00 175.29 173.61 1k2d s LEU 147 N -6.31 4.37 -0.14 2.90 2.96 -1.26 -4.79 118.68 116.41 1k2d s LEU 147 Ca 0.64 2.63 -0.05 0.00 -0.22 0.00 0.00 54.13 57.14 1k2d s LEU 147 Cb -0.19 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1k2d s LEU 147 CO 0.58 -0.80 0.03 -0.63 -1.32 0.00 0.00 176.35 174.20 1k2d s ILE 148 N 0.84 4.49 -0.28 6.68 1.01 0.27 -4.99 121.20 129.22 1k2d s ILE 148 Ca 0.67 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 1k2d s ILE 148 Cb -0.43 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1k2d s ILE 148 CO 0.35 0.53 0.17 -0.60 0.00 0.00 0.00 174.94 175.39 1k2d s ARG 149 N -0.18 3.83 0.08 2.79 3.52 -1.26 -1.42 118.95 126.31 1k2d s ARG 149 Ca 0.06 -0.40 0.25 0.00 -0.13 0.00 0.00 55.73 55.51 1k2d s ARG 149 Cb -0.12 -3.61 0.99 0.00 -1.56 0.00 0.00 34.95 30.64 1k2d s ARG 149 CO 0.02 -0.22 1.78 0.09 -0.81 0.00 0.00 175.30 176.16 1k2d n ASN 150 N 5.04 0.29 0.00 -2.12 5.03 -0.73 -4.90 115.26 117.86 1k2d n ASN 150 Ca -0.14 0.54 0.00 0.00 0.87 0.00 0.00 54.58 55.85 1k2d n ASN 150 Cb 0.52 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1k2d n ASN 150 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k2d n GLY 151 N 1.01 0.84 0.31 7.41 0.00 -1.26 -4.87 105.19 108.63 1k2d n GLY 151 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1k2d n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k2d n ASP 152 N 0.00 1.94 -0.39 1.61 3.85 -1.26 -4.96 116.55 117.34 1k2d n ASP 152 Ca 0.00 -3.22 -0.03 0.00 -0.71 0.00 0.00 54.79 50.82 1k2d n ASP 152 Cb 0.00 -0.44 -0.00 0.00 -1.35 0.00 0.00 41.12 39.33 1k2d n ASP 152 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1k2d n TRP 153 N -1.17 -0.15 -3.98 2.11 7.02 -1.26 -5.05 117.44 114.96 1k2d n TRP 153 Ca 0.15 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.55 1k2d n TRP 153 Cb 0.68 -1.45 -0.10 0.00 -2.42 0.00 0.00 31.31 28.01 1k2d n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1k2d s THR 154 N -2.17 0.14 0.32 -0.99 -4.23 -1.26 -4.72 115.64 102.73 1k2d s THR 154 Ca 0.00 -1.19 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1k2d s THR 154 Cb 0.00 -0.84 -0.06 0.00 1.34 0.00 0.00 72.50 72.94 1k2d s THR 154 CO 0.00 -0.66 -0.08 -0.36 -0.54 0.00 0.00 174.62 172.99 1k2d s PHE 155 N -2.54 2.21 0.04 3.99 0.40 0.12 -1.77 117.98 120.42 1k2d s PHE 155 Ca -0.06 -0.59 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 1k2d s PHE 155 Cb -0.02 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.25 1k2d s PHE 155 CO -0.05 0.45 0.21 1.14 0.70 0.00 0.00 175.22 177.67 1k2d s GLN 156 N -3.66 0.70 -0.17 0.44 -2.07 -0.51 -1.50 119.66 112.89 1k2d s GLN 156 Ca 0.31 -0.61 -0.15 0.00 -1.82 0.00 0.00 55.36 53.09 1k2d s GLN 156 Cb 0.03 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.29 1k2d s GLN 156 CO 0.15 -0.21 0.46 0.54 -1.32 0.00 0.00 175.29 174.91 1k2d s VAL 157 N -2.55 -0.00 -0.16 3.63 0.11 -0.33 -0.57 120.40 120.53 1k2d s VAL 157 Ca -0.05 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1k2d s VAL 157 Cb -0.01 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1k2d s VAL 157 CO -0.04 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.88 1k2d s LEU 158 N 0.40 2.82 -0.24 2.54 1.43 -1.26 -1.30 118.68 123.06 1k2d s LEU 158 Ca -0.01 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1k2d s LEU 158 Cb -0.04 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1k2d s LEU 158 CO -0.01 0.11 -0.13 -0.69 0.23 0.00 0.00 176.35 175.86 1k2d s VAL 159 N 0.71 2.17 0.17 -1.59 1.01 -0.89 -0.94 120.40 121.05 1k2d s VAL 159 Ca -0.05 -1.49 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 1k2d s VAL 159 Cb -0.15 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 1k2d s VAL 159 CO 0.02 0.09 0.46 -0.04 0.00 0.00 0.00 175.10 175.62 1k2d s MET 160 N 1.14 3.72 -0.08 2.72 -1.94 0.17 -1.11 119.30 123.93 1k2d s MET 160 Ca -0.06 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 1k2d s MET 160 Cb -0.19 -2.78 0.02 0.00 2.01 0.00 0.00 34.83 33.90 1k2d s MET 160 CO -0.07 0.41 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.14 1k2d s LEU 161 N -2.63 1.12 -0.01 -0.03 2.96 0.09 -1.41 118.68 118.76 1k2d s LEU 161 Ca 0.43 -0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 1k2d s LEU 161 Cb -0.12 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 1k2d s LEU 161 CO 0.22 -0.10 1.02 -1.61 -1.32 0.00 0.00 176.35 174.57 1k2d s GLU 162 N 1.42 4.51 0.11 1.98 0.41 0.72 -1.73 118.70 126.12 1k2d s GLU 162 Ca -0.02 1.47 -0.05 0.00 -0.41 0.00 0.00 54.97 55.96 1k2d s GLU 162 Cb -0.13 -3.46 0.02 0.00 -1.78 0.00 0.00 34.13 28.77 1k2d s GLU 162 CO -0.03 -0.15 0.27 0.00 -0.49 0.00 0.00 175.26 174.86 1k2d n MET 163 N 4.17 0.32 -3.52 1.61 0.00 -1.01 -4.72 117.12 113.97 1k2d n MET 163 Ca 0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 57.70 56.96 1k2d n MET 163 Cb 0.50 0.82 -0.12 0.00 0.00 0.00 0.00 33.22 34.42 1k2d n MET 163 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1k2d s THR 164 N -2.64 -0.37 0.31 3.17 2.01 -1.26 -0.83 115.64 116.02 1k2d s THR 164 Ca 0.06 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1k2d s THR 164 Cb -0.01 -0.63 -0.12 0.00 0.01 0.00 0.00 72.50 71.75 1k2d s THR 164 CO 0.03 -0.12 1.52 -0.81 -0.69 0.00 0.00 174.62 174.55 1k2d n PRO 165 N 5.33 2.55 -3.73 4.92 -0.04 -1.26 -4.95 135.00 137.83 1k2d n PRO 165 Ca -0.05 0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1k2d n PRO 165 Cb 0.50 -2.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.20 1k2d n PRO 165 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1k2d s ARG 166 N -1.00 0.28 0.46 0.54 0.52 -1.26 -3.49 118.95 114.99 1k2d s ARG 166 Ca 0.61 0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 56.16 1k2d s ARG 166 Cb -0.52 -0.04 -0.10 0.00 0.52 0.00 0.00 34.95 34.81 1k2d s ARG 166 CO 0.54 -0.14 0.93 0.54 0.02 0.00 0.00 175.30 177.18 1k2d n ARG 167 N 3.98 1.14 0.00 3.54 1.74 -1.26 -2.11 116.66 123.69 1k2d n ARG 167 Ca -0.22 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1k2d n ARG 167 Cb 0.55 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1k2d n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k2d n GLY 168 N 1.30 2.62 3.76 -0.13 0.00 -1.26 -5.01 105.19 106.46 1k2d n GLY 168 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1k2d n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k2d s GLU 169 N -0.27 4.46 -0.17 1.61 2.02 -0.90 -5.03 118.70 120.42 1k2d s GLU 169 Ca 0.00 1.00 0.01 0.00 0.02 0.00 0.00 54.97 56.00 1k2d s GLU 169 Cb 0.00 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.90 1k2d s GLU 169 CO 0.00 0.35 -0.20 0.08 0.02 0.00 0.00 175.26 175.52 1k2d s VAL 170 N -0.27 2.15 -0.14 2.63 1.01 -1.26 -3.28 120.40 121.24 1k2d s VAL 170 Ca 0.36 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1k2d s VAL 170 Cb -0.20 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1k2d s VAL 170 CO 0.22 0.54 -0.00 -0.31 0.00 0.00 0.00 175.10 175.55 1k2d s TYR 171 N 1.11 3.13 -0.04 5.22 2.02 0.24 0.10 117.35 129.13 1k2d s TYR 171 Ca 0.00 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.73 1k2d s TYR 171 Cb -0.14 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1k2d s TYR 171 CO -0.08 0.19 -0.21 0.99 -1.57 0.00 0.00 175.55 174.87 1k2d s THR 172 N -0.09 1.71 -0.26 -0.71 2.01 0.41 -0.60 115.64 118.11 1k2d s THR 172 Ca 0.04 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 1k2d s THR 172 Cb -0.13 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1k2d s THR 172 CO 0.02 0.48 0.17 0.00 -0.69 0.00 0.00 174.62 174.60 1k2d s HIS 174 N 1.50 3.03 -0.03 0.00 5.04 0.23 -1.45 115.29 123.60 1k2d s HIS 174 Ca 0.07 -0.23 -0.00 0.00 -1.54 0.00 0.00 55.06 53.36 1k2d s HIS 174 Cb -0.15 -1.92 0.03 0.00 0.04 0.00 0.00 32.58 30.57 1k2d s HIS 174 CO 0.08 0.04 0.03 0.08 -2.34 0.00 0.00 174.74 172.63 1k2d s VAL 175 N 0.16 0.02 -0.06 0.89 1.01 -0.06 0.24 120.40 122.60 1k2d s VAL 175 Ca -0.01 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1k2d s VAL 175 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1k2d s VAL 175 CO 0.03 0.13 -0.25 -1.61 0.00 0.00 0.00 175.10 173.40 1k2d s GLU 176 N 1.33 2.57 -0.00 2.72 2.02 -0.06 -1.00 118.70 126.28 1k2d s GLU 176 Ca -0.06 -0.90 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1k2d s GLU 176 Cb -0.13 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 31.96 1k2d s GLU 176 CO -0.03 0.36 0.26 -1.58 0.02 0.00 0.00 175.26 174.29 1k2d s HIS 177 N -0.12 -0.10 0.52 1.61 2.46 -1.26 -1.67 115.29 116.72 1k2d s HIS 177 Ca -0.05 0.12 0.22 0.00 0.47 0.00 0.00 55.06 55.82 1k2d s HIS 177 Cb -0.14 0.05 1.33 0.00 -0.13 0.00 0.00 32.58 33.69 1k2d s HIS 177 CO 0.04 -0.37 2.03 -1.35 -2.47 0.00 0.00 174.74 172.62 1k2d h PRO 178 N 3.93 0.05 0.00 2.88 0.11 -1.94 0.21 132.00 137.23 1k2d h PRO 178 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1k2d h PRO 178 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k2d h PRO 178 CO 0.41 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 1k2d n SER 179 N -4.43 0.71 -4.70 -2.05 3.41 -1.26 -4.75 113.62 100.55 1k2d n SER 179 Ca 0.07 0.67 -0.37 0.00 -0.26 0.00 0.00 58.87 58.98 1k2d n SER 179 Cb 0.46 -0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 1k2d n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k2d s LEU 180 N -4.54 4.20 0.01 1.04 1.43 0.74 -4.91 118.68 116.64 1k2d s LEU 180 Ca 0.04 0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 1k2d s LEU 180 Cb 0.09 -2.36 -0.17 0.00 0.03 0.00 0.00 46.19 43.78 1k2d s LEU 180 CO 0.41 0.04 1.27 0.11 0.23 0.00 0.00 176.35 178.42 1k2d h LYS 181 N 7.02 0.25 -5.21 1.70 1.57 -1.85 -3.44 116.57 116.61 1k2d h LYS 181 Ca -0.39 -0.15 -0.50 0.00 -1.87 0.00 0.00 60.65 57.74 1k2d h LYS 181 Cb 1.16 0.01 -0.30 0.00 0.08 0.00 0.00 32.23 33.19 1k2d h LYS 181 CO 0.73 0.72 -0.82 0.45 -0.57 0.00 0.00 179.45 179.96 1k2d s SER 182 N -6.07 1.74 0.97 0.86 0.15 -1.26 -5.13 113.70 104.97 1k2d s SER 182 Ca -0.15 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.08 1k2d s SER 182 Cb 0.04 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 1k2d s SER 182 CO 0.73 0.15 -0.07 -2.65 1.20 0.00 0.00 173.24 172.60 1k2d n PRO 183 N 2.93 -0.22 -4.20 5.44 -0.02 -1.26 -4.99 135.00 132.69 1k2d n PRO 183 Ca -0.16 -0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 60.93 1k2d n PRO 183 Cb 0.54 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.41 1k2d n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1k2d s ILE 184 N -2.24 4.68 -0.04 4.25 -1.09 -0.17 -4.95 121.20 121.64 1k2d s ILE 184 Ca 0.50 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1k2d s ILE 184 Cb -0.19 -3.03 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 1k2d s ILE 184 CO 0.73 0.55 -0.05 0.42 -1.23 0.00 0.00 174.94 175.36 1k2d s THR 185 N -0.99 0.55 -0.10 2.92 -4.23 -1.26 -0.88 115.64 111.65 1k2d s THR 185 Ca 0.16 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1k2d s THR 185 Cb -0.12 -0.55 0.02 0.00 1.34 0.00 0.00 72.50 73.19 1k2d s THR 185 CO 0.05 0.21 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.52 1k2d s VAL 186 N 0.72 1.33 0.22 2.29 1.01 -0.53 -4.95 120.40 120.49 1k2d s VAL 186 Ca -0.10 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1k2d s VAL 186 Cb -0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1k2d s VAL 186 CO 0.00 0.41 0.38 -1.61 0.00 0.00 0.00 175.10 174.28 1k2d s GLU 187 N 1.01 3.47 -0.09 2.72 2.02 -1.26 -0.94 118.70 125.62 1k2d s GLU 187 Ca -0.07 -0.52 -0.07 0.00 0.02 0.00 0.00 54.97 54.33 1k2d s GLU 187 Cb -0.15 -2.86 0.03 0.00 0.10 0.00 0.00 34.13 31.26 1k2d s GLU 187 CO -0.01 0.40 0.24 -0.46 0.02 0.00 0.00 175.26 175.44 1k2d s TRP 188 N -1.94 -0.28 0.00 1.61 -0.00 0.23 -4.96 118.94 113.61 1k2d s TRP 188 Ca 0.36 0.67 0.04 0.00 -0.00 0.00 0.00 56.10 57.17 1k2d s TRP 188 Cb -0.10 0.07 -0.01 0.00 -0.00 0.00 0.00 33.47 33.43 1k2d s TRP 188 CO 0.30 -0.16 -0.11 1.03 -0.00 0.00 0.00 176.95 178.01 1k2d s ARG 189 N 0.47 0.86 0.00 5.86 0.52 -1.26 -0.59 118.95 124.80 1k2d s ARG 189 Ca -0.03 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1k2d s ARG 189 Cb -0.04 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1k2d s ARG 189 CO -0.02 0.22 0.00 0.00 0.02 0.00 0.00 175.30 175.52