#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k32 s VAL 2 N 0.00 4.72 -0.52 5.18 1.01 -0.25 -4.94 120.40 125.59 2k32 s VAL 2 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.85 2k32 s VAL 2 Cb 0.00 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.85 2k32 s VAL 2 CO 0.00 -0.35 0.27 -0.63 0.00 0.00 0.00 175.10 174.39 2k32 s ILE 3 N -2.17 2.53 0.56 2.22 1.09 -1.26 -1.34 121.20 122.83 2k32 s ILE 3 Ca 0.53 -3.32 -0.20 0.00 -1.10 0.00 0.00 60.65 56.56 2k32 s ILE 3 Cb -0.10 -2.76 -0.05 0.00 -1.06 0.00 0.00 42.46 38.49 2k32 s ILE 3 CO 0.24 -0.81 1.21 -0.51 -0.10 0.00 0.00 174.94 174.96 2k32 s ILE 4 N -0.31 2.69 0.04 2.92 -1.16 0.34 -4.88 121.20 120.84 2k32 s ILE 4 Ca 0.17 0.45 -0.06 0.00 -0.51 0.00 0.00 60.65 60.71 2k32 s ILE 4 Cb -0.25 -3.20 -0.01 0.00 0.61 0.00 0.00 42.46 39.61 2k32 s ILE 4 CO -0.01 -0.07 0.11 -0.54 -2.81 0.00 0.00 174.94 171.62 2k32 s LYS 5 N -3.18 0.59 0.69 3.50 1.02 -1.26 -1.67 119.74 119.42 2k32 s LYS 5 Ca 0.74 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 2k32 s LYS 5 Cb -0.31 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 2k32 s LYS 5 CO 0.34 -0.15 1.06 -1.25 -0.92 0.00 0.00 175.35 174.43 2k32 s PRO 6 N -2.52 3.00 0.00 -1.68 0.04 -1.22 -4.93 135.00 127.68 2k32 s PRO 6 Ca -0.06 0.89 0.25 0.00 0.04 0.00 0.00 61.00 62.12 2k32 s PRO 6 Cb -0.02 -2.00 0.40 0.00 0.04 0.00 0.00 34.50 32.92 2k32 s PRO 6 CO -0.04 -1.04 1.34 0.00 0.04 0.00 0.00 177.00 177.30 2k32 n GLN 7 N -3.08 0.77 -3.71 4.56 10.64 -1.26 -4.46 117.38 120.84 2k32 n GLN 7 Ca 0.07 -0.54 -0.15 0.00 -1.83 0.00 0.00 57.00 54.56 2k32 n GLN 7 Cb 0.54 -1.49 -0.05 0.00 -0.86 0.00 0.00 30.24 28.38 2k32 n GLN 7 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 2k32 n VAL 8 N -0.64 0.00 -4.31 -0.39 0.24 -1.26 -4.94 118.33 107.02 2k32 n VAL 8 Ca 0.10 -1.81 -0.23 0.00 -2.04 0.00 0.00 64.34 60.35 2k32 n VAL 8 Cb 0.38 0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 33.62 2k32 n VAL 8 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2k32 s SER 9 N -2.83 4.41 0.00 -1.34 1.04 -1.26 -2.49 113.70 111.23 2k32 s SER 9 Ca 0.30 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2k32 s SER 9 Cb 0.01 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2k32 s SER 9 CO 0.21 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2k32 n GLY 10 N -0.87 0.29 3.25 7.32 0.00 0.11 -4.33 105.19 110.97 2k32 n GLY 10 Ca -0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2k32 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k32 s VAL 11 N -0.38 0.03 0.50 1.61 1.01 -1.01 -0.82 120.40 121.34 2k32 s VAL 11 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2k32 s VAL 11 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2k32 s VAL 11 CO 0.00 -0.15 1.34 -0.63 0.00 0.00 0.00 175.10 175.66 2k32 s ILE 12 N -0.74 2.26 0.00 2.22 -1.09 -1.06 -0.93 121.20 121.86 2k32 s ILE 12 Ca -0.08 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 2k32 s ILE 12 Cb -0.04 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 2k32 s ILE 12 CO 0.03 0.01 0.00 0.52 -1.23 0.00 0.00 174.94 174.27 2k32 n VAL 13 N -0.64 0.00 -3.80 2.92 0.31 0.66 -2.36 118.33 115.41 2k32 n VAL 13 Ca 0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.32 2k32 n VAL 13 Cb 0.44 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.82 2k32 n VAL 13 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k32 s ASN 14 N -3.16 0.02 -0.40 4.52 3.84 -1.21 -4.90 114.94 113.65 2k32 s ASN 14 Ca 0.00 -0.52 0.02 0.00 0.21 0.00 0.00 52.86 52.57 2k32 s ASN 14 Cb 0.00 0.36 0.12 0.00 -0.55 0.00 0.00 41.25 41.18 2k32 s ASN 14 CO 0.00 -0.73 0.18 -0.54 -2.79 0.00 0.00 177.10 173.22 2k32 s LYS 15 N -3.61 1.28 0.13 0.43 -0.14 -1.26 -2.28 119.74 114.28 2k32 s LYS 15 Ca 0.03 -1.85 -0.12 0.00 -1.36 0.00 0.00 55.97 52.67 2k32 s LYS 15 Cb 0.03 -2.53 -0.07 0.00 -1.68 0.00 0.00 37.83 33.58 2k32 s LYS 15 CO -0.10 -1.08 1.44 -0.07 -0.76 0.00 0.00 175.35 174.79 2k32 h LEU 16 N 7.17 0.96 0.00 3.17 -0.00 -1.28 -3.46 115.31 121.87 2k32 h LEU 16 Ca -0.06 -0.49 -0.34 0.00 -0.00 0.00 0.00 57.88 56.99 2k32 h LEU 16 Cb 0.96 -0.27 0.09 0.00 -0.00 0.00 0.00 40.66 41.44 2k32 h LEU 16 CO 0.52 1.26 0.17 2.22 -0.00 0.00 0.00 178.44 182.61 2k32 n PHE 17 N -4.07 -3.40 -4.36 1.13 -1.74 -1.20 -4.97 117.46 98.85 2k32 n PHE 17 Ca -0.03 -1.17 -0.19 0.00 -0.56 0.00 0.00 57.45 55.50 2k32 n PHE 17 Cb 0.56 -0.64 -0.15 0.00 1.52 0.00 0.00 39.48 40.78 2k32 n PHE 17 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2k32 s LYS 18 N -4.72 0.72 -0.08 3.97 -0.14 -1.26 -5.10 119.74 113.13 2k32 s LYS 18 Ca 0.53 -0.32 -0.34 0.00 -1.36 0.00 0.00 55.97 54.48 2k32 s LYS 18 Cb -0.02 -0.70 -0.12 0.00 -1.68 0.00 0.00 37.83 35.31 2k32 s LYS 18 CO 0.36 0.19 1.89 0.00 -0.76 0.00 0.00 175.35 177.02 2k32 n ALA 19 N 2.88 0.94 -0.10 5.17 0.00 -1.26 -2.34 120.51 125.79 2k32 n ALA 19 Ca -0.14 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2k32 n ALA 19 Cb 0.57 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2k32 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k32 n GLY 20 N 4.41 1.90 0.00 0.00 0.00 -0.49 -4.94 105.19 106.08 2k32 n GLY 20 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2k32 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k32 n ASP 21 N 0.00 0.00 -4.62 1.61 -0.08 -0.99 -4.71 116.55 107.77 2k32 n ASP 21 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 2k32 n ASP 21 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 2k32 n ASP 21 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2k32 s LYS 22 N 0.00 2.00 -0.01 -0.67 -0.14 -1.26 -2.30 119.74 117.36 2k32 s LYS 22 Ca 0.00 -1.87 0.02 0.00 -1.36 0.00 0.00 55.97 52.76 2k32 s LYS 22 Cb 0.00 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 2k32 s LYS 22 CO 0.00 0.08 -0.06 0.14 -0.76 0.00 0.00 175.35 174.76 2k32 s VAL 23 N -2.58 0.49 0.77 3.17 -7.23 -0.13 -4.89 120.40 110.00 2k32 s VAL 23 Ca 0.35 -0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 2k32 s VAL 23 Cb 0.03 -0.44 0.06 0.00 0.56 0.00 0.00 36.38 36.58 2k32 s VAL 23 CO 0.19 0.16 1.08 -0.75 -0.31 0.00 0.00 175.10 175.47 2k32 s LYS 24 N 0.10 2.28 0.00 4.82 2.47 -1.26 -1.61 119.74 126.54 2k32 s LYS 24 Ca -0.01 0.93 -0.02 0.00 -1.56 0.00 0.00 55.97 55.31 2k32 s LYS 24 Cb -0.05 -1.92 -0.02 0.00 -1.46 0.00 0.00 37.83 34.38 2k32 s LYS 24 CO -0.00 -1.56 0.48 1.63 0.16 0.00 0.00 175.35 176.05 2k32 n LYS 25 N -3.44 0.00 -0.56 4.03 4.76 -1.26 -1.44 118.16 120.26 2k32 n LYS 25 Ca 0.08 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2k32 n LYS 25 Cb 0.54 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 2k32 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k32 n GLY 26 N 3.40 1.17 3.50 0.72 0.00 -1.12 -4.66 105.19 108.20 2k32 n GLY 26 Ca 0.03 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2k32 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k32 n GLN 27 N -1.54 0.54 -2.05 1.61 10.64 -0.52 -3.81 117.38 122.25 2k32 n GLN 27 Ca 0.00 0.22 -0.41 0.00 -1.83 0.00 0.00 57.00 54.98 2k32 n GLN 27 Cb 0.11 -1.81 -0.02 0.00 -0.86 0.00 0.00 30.24 27.65 2k32 n GLN 27 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2k32 s THR 28 N -1.72 2.64 0.00 -0.39 2.01 -1.26 -0.73 115.64 116.19 2k32 s THR 28 Ca 0.70 0.60 0.00 0.00 0.31 0.00 0.00 61.69 63.30 2k32 s THR 28 Cb -0.42 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2k32 s THR 28 CO 0.53 0.13 0.00 0.18 -0.69 0.00 0.00 174.62 174.77 2k32 n LEU 29 N 1.26 1.82 -4.13 4.42 4.77 0.47 -4.29 117.00 121.32 2k32 n LEU 29 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2k32 n LEU 29 Cb 0.41 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 2k32 n LEU 29 CO 0.60 0.28 -0.21 -0.36 -1.33 0.00 0.00 177.39 176.37 2k32 s PHE 30 N -1.83 0.88 0.02 -1.77 0.40 -0.98 -0.86 117.98 113.85 2k32 s PHE 30 Ca 0.00 -1.20 0.03 0.00 -0.60 0.00 0.00 56.93 55.17 2k32 s PHE 30 Cb 0.00 -0.42 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 2k32 s PHE 30 CO 0.00 -0.62 -0.10 0.42 0.70 0.00 0.00 175.22 175.62 2k32 s ILE 31 N -4.08 0.80 0.14 0.64 1.01 -0.97 -1.00 121.20 117.74 2k32 s ILE 31 Ca 0.28 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.29 2k32 s ILE 31 Cb 0.06 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 2k32 s ILE 31 CO 0.06 0.01 -0.17 -0.63 0.00 0.00 0.00 174.94 174.21 2k32 s ILE 32 N -0.65 1.64 -0.22 2.92 1.01 0.30 -0.24 121.20 125.96 2k32 s ILE 32 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 58.88 2k32 s ILE 32 Cb -0.06 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.75 2k32 s ILE 32 CO 0.00 -0.30 -0.13 -0.70 0.00 0.00 0.00 174.94 173.81 2k32 s GLU 33 N -2.57 2.86 0.03 2.79 2.12 -0.11 -1.15 118.70 122.67 2k32 s GLU 33 Ca 0.12 -0.94 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 2k32 s GLU 33 Cb -0.06 -2.77 -0.18 0.00 0.26 0.00 0.00 34.13 31.38 2k32 s GLU 33 CO 0.05 -0.32 1.48 1.96 -0.54 0.00 0.00 175.26 177.89 2k32 h GLN 34 N 7.95 0.01 -2.46 4.30 4.20 -1.48 -2.67 115.11 124.95 2k32 h GLN 34 Ca -0.38 -0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.49 2k32 h GLN 34 Cb 1.12 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.84 2k32 h GLN 34 CO 0.59 0.28 0.50 0.16 -0.67 0.00 0.00 178.83 179.68 2k32 s ASP 35 N -5.48 -0.11 -0.05 1.46 1.47 -1.26 -4.66 116.67 108.05 2k32 s ASP 35 Ca -0.15 -0.55 0.09 0.00 1.18 0.00 0.00 52.55 53.13 2k32 s ASP 35 Cb 0.04 0.52 0.23 0.00 -0.34 0.00 0.00 42.92 43.37 2k32 s ASP 35 CO 0.67 -1.00 1.17 0.00 0.68 0.00 0.00 175.17 176.69 2k32 n GLN 36 N -0.55 2.62 -0.22 2.11 10.64 -1.26 -4.62 117.38 126.10 2k32 n GLN 36 Ca -0.05 -2.08 -0.06 0.00 -1.83 0.00 0.00 57.00 52.98 2k32 n GLN 36 Cb 0.60 -1.31 0.04 0.00 -0.86 0.00 0.00 30.24 28.72 2k32 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k32 h ALA 37 N 0.85 0.79 -0.02 2.61 0.00 -1.99 -2.71 119.26 118.79 2k32 h ALA 37 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k32 h ALA 37 Cb 0.81 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k32 h ALA 37 CO 0.04 0.23 0.02 0.77 0.00 0.00 0.00 179.25 180.31 2k32 h SER 38 N 0.85 0.00 0.56 0.00 0.02 -1.88 -1.62 113.55 111.48 2k32 h SER 38 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2k32 h SER 38 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2k32 h SER 38 CO -0.05 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.93 2k32 n LYS 39 N -4.08 0.13 -0.08 3.45 5.02 -1.02 -1.11 118.16 120.47 2k32 n LYS 39 Ca -0.03 0.41 -0.11 0.00 -2.02 0.00 0.00 58.31 56.57 2k32 n LYS 39 Cb 0.11 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 2k32 n LYS 39 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k32 n ASP 40 N -2.03 2.49 0.16 4.39 2.03 -0.82 -4.78 116.55 117.99 2k32 n ASP 40 Ca 0.02 -0.08 0.06 0.00 0.52 0.00 0.00 54.79 55.31 2k32 n ASP 40 Cb 0.18 -0.08 0.07 0.00 -0.72 0.00 0.00 41.12 40.58 2k32 n ASP 40 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2k32 h PHE 41 N 0.00 0.00 -0.60 -0.67 3.57 -1.11 -3.35 116.94 114.78 2k32 h PHE 41 Ca -0.38 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.24 2k32 h PHE 41 Cb 1.64 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 40.27 2k32 h PHE 41 CO 0.02 0.34 -0.02 -2.95 -2.23 0.00 0.00 178.31 173.47 2k32 h ASN 42 N 0.00 -0.30 -0.70 0.41 -1.07 -1.38 -2.52 115.58 110.02 2k32 h ASN 42 Ca -0.01 0.15 -0.03 0.00 0.07 0.00 0.00 56.30 56.49 2k32 h ASN 42 Cb 1.26 0.27 -0.03 0.00 -2.07 0.00 0.00 38.32 37.75 2k32 h ASN 42 CO 0.04 -0.12 0.33 -0.09 0.07 0.00 0.00 177.43 177.66 2k32 h ARG 43 N 0.10 1.01 0.05 4.14 2.43 -1.84 -2.44 114.38 117.83 2k32 h ARG 43 Ca 0.31 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2k32 h ARG 43 Cb 0.49 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2k32 h ARG 43 CO -0.52 0.80 -0.69 0.77 -1.51 0.00 0.00 179.97 178.82 2k32 h SER 44 N 0.97 0.52 -0.41 -3.80 0.02 -1.78 -3.35 113.55 105.72 2k32 h SER 44 Ca 0.24 -0.83 -0.05 0.00 -0.84 0.00 0.00 61.79 60.31 2k32 h SER 44 Cb 0.13 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2k32 h SER 44 CO -0.03 1.29 0.08 0.07 -1.14 0.00 0.00 176.83 177.10 2k32 h LYS 45 N -0.19 0.75 0.00 3.45 2.10 -1.37 -2.87 116.57 118.44 2k32 h LYS 45 Ca -0.10 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2k32 h LYS 45 Cb 1.44 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 2k32 h LYS 45 CO 0.13 0.71 0.00 0.00 -2.00 0.00 0.00 179.45 178.29 2k32 n ALA 46 N -2.47 1.46 0.31 0.07 0.00 -0.93 -2.85 120.51 116.10 2k32 n ALA 46 Ca 0.03 -0.01 0.20 0.00 0.00 0.00 0.00 53.44 53.66 2k32 n ALA 46 Cb 0.24 -1.20 0.93 0.00 0.00 0.00 0.00 19.45 19.42 2k32 n ALA 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k32 h LEU 47 N 0.00 0.00 -8.02 0.00 3.38 -1.65 -3.47 115.31 105.55 2k32 h LEU 47 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k32 h LEU 47 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k32 h LEU 47 CO 0.00 0.00 0.25 -0.36 0.09 0.00 0.00 178.44 178.42 2k32 s PHE 48 N -3.88 0.12 0.24 1.13 0.08 -1.23 -5.03 117.98 109.41 2k32 s PHE 48 Ca -0.02 -0.75 0.23 0.00 0.12 0.00 0.00 56.93 56.52 2k32 s PHE 48 Cb 0.11 0.78 1.28 0.00 -0.57 0.00 0.00 43.02 44.62 2k32 s PHE 48 CO 0.48 -1.51 1.68 0.66 -0.10 0.00 0.00 175.22 176.44 2k32 h SER 49 N 2.01 0.00 0.00 1.36 4.64 -1.91 -2.29 113.55 117.36 2k32 h SER 49 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2k32 h SER 49 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2k32 h SER 49 CO 0.38 0.00 0.06 0.00 -0.87 0.00 0.00 176.83 176.41 2k32 n GLN 50 N -2.46 0.05 0.28 4.77 10.64 -1.26 -3.94 117.38 125.46 2k32 n GLN 50 Ca -0.02 0.51 0.13 0.00 -1.83 0.00 0.00 57.00 55.79 2k32 n GLN 50 Cb 0.25 -1.72 0.82 0.00 -0.86 0.00 0.00 30.24 28.73 2k32 n GLN 50 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2k32 h SER 51 N 0.00 0.00 0.78 2.61 0.87 -1.26 0.05 113.55 116.60 2k32 h SER 51 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2k32 h SER 51 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2k32 h SER 51 CO 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 176.83 176.02 2k32 h ALA 52 N 2.00 1.07 -0.11 6.23 0.00 -1.88 -3.46 119.26 123.11 2k32 h ALA 52 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k32 h ALA 52 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k32 h ALA 52 CO 0.00 0.36 0.00 -0.89 0.00 0.00 0.00 179.25 178.72 2k32 n ILE 53 N -3.53 0.00 -3.62 0.00 5.41 0.00 -3.77 119.36 113.85 2k32 n ILE 53 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2k32 n ILE 53 Cb 0.44 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.33 2k32 n ILE 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2k32 s SER 54 N -0.63 -0.10 0.00 4.38 0.01 -1.26 -5.01 113.70 111.10 2k32 s SER 54 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2k32 s SER 54 Cb 0.00 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2k32 s SER 54 CO 0.00 -0.12 0.70 0.00 0.41 0.00 0.00 173.24 174.23 2k32 n GLN 55 N 0.29 0.00 -0.00 12.44 6.02 -1.26 -0.89 117.38 133.98 2k32 n GLN 55 Ca -0.00 0.21 0.08 0.00 -0.01 0.00 0.00 57.00 57.28 2k32 n GLN 55 Cb 0.58 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.23 2k32 n GLN 55 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k32 n LYS 56 N -1.20 1.25 -0.02 -1.09 4.76 -1.26 -4.69 118.16 115.91 2k32 n LYS 56 Ca 0.00 -0.06 -0.02 0.00 -2.87 0.00 0.00 58.31 55.36 2k32 n LYS 56 Cb 0.01 -1.30 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 2k32 n LYS 56 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k32 n GLU 57 N -1.67 2.95 0.03 1.97 -0.58 -0.15 -4.82 120.64 118.37 2k32 n GLU 57 Ca 0.00 -0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 2k32 n GLU 57 Cb 0.32 -1.13 0.10 0.00 -0.57 0.00 0.00 31.44 30.16 2k32 n GLU 57 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2k32 n TYR 58 N -2.15 0.13 0.19 -0.32 4.11 -0.07 -1.93 117.16 117.12 2k32 n TYR 58 Ca -0.08 0.07 0.17 0.00 -0.00 0.00 0.00 57.90 58.06 2k32 n TYR 58 Cb 0.62 -0.53 0.81 0.00 -0.00 0.00 0.00 39.34 40.24 2k32 n TYR 58 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 2k32 h ASP 59 N 0.00 0.00 0.13 9.48 2.03 -1.88 0.15 116.42 126.33 2k32 h ASP 59 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2k32 h ASP 59 Cb 0.16 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.66 2k32 h ASP 59 CO 0.00 0.00 -0.07 -1.28 -1.03 0.00 0.00 179.24 176.86 2k32 h SER 60 N 0.00 0.00 0.00 4.15 0.87 -1.73 -3.19 113.55 113.65 2k32 h SER 60 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2k32 h SER 60 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2k32 h SER 60 CO -0.00 0.07 -1.69 -1.20 -0.53 0.00 0.00 176.83 173.48 2k32 n SER 61 N -4.01 0.88 0.28 6.23 7.64 0.40 -4.48 113.62 120.56 2k32 n SER 61 Ca -0.03 -0.12 0.13 0.00 1.01 0.00 0.00 58.87 59.86 2k32 n SER 61 Cb 0.16 1.71 0.80 0.00 -1.01 0.00 0.00 64.21 65.87 2k32 n SER 61 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k32 h LEU 62 N 0.00 0.00 -7.38 -3.43 -0.00 -1.23 -3.42 115.31 99.84 2k32 h LEU 62 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 2k32 h LEU 62 Cb 0.77 0.00 -0.29 0.00 -0.00 0.00 0.00 40.66 41.14 2k32 h LEU 62 CO 0.00 0.04 -0.47 0.00 -0.00 0.00 0.00 178.44 178.02 2k32 s ALA 63 N -4.60 -0.58 0.28 1.53 0.00 -1.26 -5.12 121.76 112.02 2k32 s ALA 63 Ca -0.04 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2k32 s ALA 63 Cb 0.15 -0.58 -0.12 0.00 0.00 0.00 0.00 23.12 22.58 2k32 s ALA 63 CO 0.59 -0.18 1.63 -0.08 0.00 0.00 0.00 175.76 177.72 2k32 s THR 64 N 0.95 2.00 -0.75 0.00 -1.32 -1.26 -2.17 115.64 113.09 2k32 s THR 64 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 2k32 s THR 64 Cb -0.08 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 2k32 s THR 64 CO -0.06 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 172.53 2k32 n LEU 65 N 2.48 -0.62 -3.58 9.08 4.77 -1.26 -0.43 117.00 127.44 2k32 n LEU 65 Ca 0.10 0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 56.06 2k32 n LEU 65 Cb 0.37 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 2k32 n LEU 65 CO 0.64 -0.27 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.71 2k32 n ASP 66 N -0.64 -3.03 -4.82 -1.43 -0.08 -0.92 -4.74 116.55 100.89 2k32 n ASP 66 Ca -0.08 -0.52 -0.33 0.00 -1.51 0.00 0.00 54.79 52.35 2k32 n ASP 66 Cb 0.39 -2.54 -0.07 0.00 2.34 0.00 0.00 41.12 41.24 2k32 n ASP 66 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2k32 s HIS 67 N -2.92 3.34 -0.01 -0.67 3.76 0.43 -1.58 115.29 117.65 2k32 s HIS 67 Ca 0.48 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.95 2k32 s HIS 67 Cb -0.26 -2.81 0.01 0.00 1.11 0.00 0.00 32.58 30.63 2k32 s HIS 67 CO 0.59 -0.07 0.01 0.99 -0.85 0.00 0.00 174.74 175.41 2k32 s THR 68 N -2.12 0.01 0.14 1.30 2.01 -0.30 -4.59 115.64 112.08 2k32 s THR 68 Ca 0.60 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.64 2k32 s THR 68 Cb -0.10 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 2k32 s THR 68 CO 0.14 0.03 0.32 -1.61 -0.69 0.00 0.00 174.62 172.81 2k32 s GLU 69 N 0.30 3.50 -0.03 4.92 2.02 -1.26 -0.54 118.70 127.61 2k32 s GLU 69 Ca -0.02 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 54.64 2k32 s GLU 69 Cb -0.04 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2k32 s GLU 69 CO -0.01 0.49 -0.15 0.42 0.02 0.00 0.00 175.26 176.04 2k32 s ILE 70 N -1.70 1.23 0.05 -1.63 1.09 -0.17 -4.82 121.20 115.24 2k32 s ILE 70 Ca 0.37 -0.63 0.01 0.00 -1.10 0.00 0.00 60.65 59.30 2k32 s ILE 70 Cb -0.12 -1.04 -0.03 0.00 -1.06 0.00 0.00 42.46 40.21 2k32 s ILE 70 CO 0.28 0.35 -0.06 -1.59 -0.10 0.00 0.00 174.94 173.82 2k32 s LYS 71 N -0.12 0.56 1.04 2.79 -2.85 -1.26 -0.40 119.74 119.50 2k32 s LYS 71 Ca 0.01 -0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 53.95 2k32 s LYS 71 Cb -0.08 -0.13 0.21 0.00 -2.06 0.00 0.00 37.83 35.77 2k32 s LYS 71 CO 0.01 -0.01 1.07 0.00 0.10 0.00 0.00 175.35 176.52 2k32 s ALA 72 N -2.20 0.51 0.03 0.59 0.00 0.09 -4.91 121.76 115.87 2k32 s ALA 72 Ca -0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2k32 s ALA 72 Cb -0.04 -3.23 -0.34 0.00 0.00 0.00 0.00 23.12 19.50 2k32 s ALA 72 CO -0.02 -3.17 1.01 -1.00 0.00 0.00 0.00 175.76 172.57 2k32 h PRO 73 N -2.14 0.54 0.00 0.00 0.13 -1.90 -3.38 132.00 125.24 2k32 h PRO 73 Ca -0.55 -0.87 -0.03 0.00 -0.87 0.00 0.00 66.00 63.69 2k32 h PRO 73 Cb 1.31 0.31 0.00 0.00 0.13 0.00 0.00 31.00 32.76 2k32 h PRO 73 CO 0.52 1.41 0.14 1.97 -0.23 0.00 0.00 178.00 181.81 2k32 n PHE 74 N -3.79 -1.74 -2.97 1.56 1.16 -1.26 -4.14 117.46 106.28 2k32 n PHE 74 Ca -0.16 -1.09 -0.40 0.00 -1.87 0.00 0.00 57.45 53.93 2k32 n PHE 74 Cb 1.05 0.52 -0.05 0.00 -1.61 0.00 0.00 39.48 39.38 2k32 n PHE 74 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2k32 s ASP 75 N -2.19 7.26 0.00 5.98 -1.08 -1.26 -2.78 116.67 122.60 2k32 s ASP 75 Ca 0.10 1.50 0.00 0.00 -0.52 0.00 0.00 52.55 53.63 2k32 s ASP 75 Cb -0.03 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2k32 s ASP 75 CO 0.07 0.06 0.00 0.61 0.52 0.00 0.00 175.17 176.43 2k32 n GLY 76 N 2.20 -0.58 3.68 2.66 0.00 -0.63 -4.43 105.19 108.09 2k32 n GLY 76 Ca -0.03 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 2k32 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k32 s THR 77 N -3.29 3.71 -0.01 2.61 2.01 0.59 -0.96 115.64 120.29 2k32 s THR 77 Ca 0.00 -1.61 -0.00 0.00 0.31 0.00 0.00 61.69 60.39 2k32 s THR 77 Cb 0.00 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.60 2k32 s THR 77 CO 0.00 -0.24 0.02 -0.51 -0.69 0.00 0.00 174.62 173.20 2k32 s ILE 78 N -2.01 -0.04 0.00 1.82 2.07 -0.97 -0.59 121.20 121.48 2k32 s ILE 78 Ca 0.30 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.68 2k32 s ILE 78 Cb -0.08 -0.06 0.00 0.00 0.13 0.00 0.00 42.46 42.45 2k32 s ILE 78 CO 0.20 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 2k32 n GLY 79 N 3.81 -1.22 3.72 1.50 0.00 -0.54 -1.39 105.19 111.07 2k32 n GLY 79 Ca -0.23 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2k32 n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k32 s ASP 80 N -1.12 6.44 0.00 1.61 -4.77 -1.26 -3.11 116.67 114.46 2k32 s ASP 80 Ca 0.00 2.79 0.09 0.00 -3.30 0.00 0.00 52.55 52.13 2k32 s ASP 80 Cb 0.00 -2.60 0.53 0.00 -1.09 0.00 0.00 42.92 39.77 2k32 s ASP 80 CO 0.00 -0.94 0.99 0.00 0.70 0.00 0.00 175.17 175.93 2k32 n ALA 81 N 4.11 2.08 0.00 2.11 0.00 -1.26 -4.41 120.51 123.14 2k32 n ALA 81 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k32 n ALA 81 Cb 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2k32 n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k32 n LEU 82 N -0.76 0.00 -3.92 0.00 4.77 -1.10 -4.61 117.00 111.38 2k32 n LEU 82 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2k32 n LEU 82 Cb 0.03 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2k32 n LEU 82 CO 0.05 0.00 -0.09 0.68 -1.33 0.00 0.00 177.39 176.70 2k32 s VAL 83 N 0.00 0.11 0.21 4.08 -7.23 -1.26 -5.00 120.40 111.31 2k32 s VAL 83 Ca 0.00 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2k32 s VAL 83 Cb 0.00 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2k32 s VAL 83 CO 0.00 -0.52 0.17 0.20 -0.31 0.00 0.00 175.10 174.64 2k32 s ASN 84 N -2.91 0.14 -0.47 4.85 0.01 -1.26 -5.04 114.94 110.26 2k32 s ASN 84 Ca 0.11 -1.34 -0.26 0.00 -0.71 0.00 0.00 52.86 50.65 2k32 s ASN 84 Cb 0.05 0.41 -0.06 0.00 0.41 0.00 0.00 41.25 42.05 2k32 s ASN 84 CO -0.06 -0.88 2.33 -0.63 -1.51 0.00 0.00 177.10 176.35 2k32 s ILE 85 N -4.13 3.04 0.00 0.60 1.09 -1.26 -0.66 121.20 119.88 2k32 s ILE 85 Ca 0.37 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.95 2k32 s ILE 85 Cb 0.06 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.35 2k32 s ILE 85 CO 0.12 -0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.47 2k32 n GLY 86 N 5.94 1.91 3.70 6.18 0.00 -1.00 -4.98 105.19 116.95 2k32 n GLY 86 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 2k32 n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k32 s ASP 87 N -1.98 6.58 -0.46 1.61 1.01 0.16 -4.84 116.67 118.75 2k32 s ASP 87 Ca 0.00 2.56 -0.28 0.00 0.71 0.00 0.00 52.55 55.54 2k32 s ASP 87 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 2k32 s ASP 87 CO 0.00 -0.87 1.57 -0.47 0.21 0.00 0.00 175.17 175.61 2k32 s TYR 88 N 2.02 2.12 0.04 4.23 6.14 -1.26 -2.56 117.35 128.08 2k32 s TYR 88 Ca 0.73 0.62 0.05 0.00 0.64 0.00 0.00 57.07 59.11 2k32 s TYR 88 Cb -0.42 -4.26 -0.04 0.00 0.42 0.00 0.00 41.96 37.67 2k32 s TYR 88 CO 0.32 -2.27 -0.09 0.14 0.64 0.00 0.00 175.55 174.30 2k32 s VAL 89 N 6.48 3.48 0.00 3.14 -7.23 -0.00 -4.98 120.40 121.29 2k32 s VAL 89 Ca 0.64 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2k32 s VAL 89 Cb -0.15 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2k32 s VAL 89 CO 0.29 0.28 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.76 2k32 s SER 90 N -1.72 0.63 0.00 4.85 0.15 -1.26 -0.71 113.70 115.63 2k32 s SER 90 Ca 0.19 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2k32 s SER 90 Cb -0.11 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2k32 s SER 90 CO 0.10 0.04 0.53 0.00 1.20 0.00 0.00 173.24 175.11 2k32 n ALA 91 N 2.81 0.00 1.16 5.45 0.00 -1.04 -1.53 120.51 127.36 2k32 n ALA 91 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2k32 n ALA 91 Cb 0.58 0.27 0.22 0.00 0.00 0.00 0.00 19.45 20.52 2k32 n ALA 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k32 n SER 92 N -1.84 1.86 0.01 0.00 7.64 -1.26 -3.41 113.62 116.62 2k32 n SER 92 Ca 0.00 -1.45 0.11 0.00 1.01 0.00 0.00 58.87 58.54 2k32 n SER 92 Cb 0.00 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 2k32 n SER 92 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k32 n THR 93 N 0.14 0.08 -3.68 0.44 -1.04 -0.58 -4.89 114.28 104.75 2k32 n THR 93 Ca 0.13 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.05 61.80 2k32 n THR 93 Cb 0.44 0.44 -0.15 0.00 -1.82 0.00 0.00 70.33 69.23 2k32 n THR 93 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k32 s THR 94 N -3.15 -0.23 -0.22 12.58 2.01 -0.76 -4.89 115.64 120.98 2k32 s THR 94 Ca 0.04 0.33 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 2k32 s THR 94 Cb 0.15 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2k32 s THR 94 CO 0.82 0.14 0.09 -1.61 -0.69 0.00 0.00 174.62 173.37 2k32 s GLU 95 N 2.15 3.88 -0.11 4.92 2.02 -1.26 -4.47 118.70 125.82 2k32 s GLU 95 Ca 0.02 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 2k32 s GLU 95 Cb -0.12 -3.33 -0.25 0.00 0.10 0.00 0.00 34.13 30.53 2k32 s GLU 95 CO -0.06 0.06 0.39 1.28 0.02 0.00 0.00 175.26 176.95 2k32 n LEU 96 N 4.22 2.26 -3.87 1.80 4.77 -0.67 -4.81 117.00 120.69 2k32 n LEU 96 Ca -0.16 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.08 2k32 n LEU 96 Cb 0.52 -0.83 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2k32 n LEU 96 CO 0.34 0.76 1.13 0.54 -1.33 0.00 0.00 177.39 178.83 2k32 s VAL 97 N -2.56 0.00 -0.04 4.08 0.11 -1.26 -2.72 120.40 118.01 2k32 s VAL 97 Ca -0.19 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2k32 s VAL 97 Cb 0.07 -2.66 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 2k32 s VAL 97 CO 0.77 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 172.48 2k32 s ARG 98 N -2.08 2.66 -0.11 1.54 1.70 -1.26 -0.51 118.95 120.89 2k32 s ARG 98 Ca 0.25 -0.62 0.02 0.00 -0.47 0.00 0.00 55.73 54.91 2k32 s ARG 98 Cb 0.02 -2.55 -0.01 0.00 -0.57 0.00 0.00 34.95 31.83 2k32 s ARG 98 CO -0.03 0.64 -0.18 0.08 -1.08 0.00 0.00 175.30 174.73 2k32 s VAL 99 N -0.89 2.62 -0.15 4.99 1.01 -0.45 -1.46 120.40 126.06 2k32 s VAL 99 Ca 0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2k32 s VAL 99 Cb -0.11 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.28 2k32 s VAL 99 CO 0.04 0.54 0.12 0.28 0.00 0.00 0.00 175.10 176.09 2k32 s THR 100 N 0.30 -0.16 -0.24 3.92 -1.32 0.24 -1.09 115.64 117.28 2k32 s THR 100 Ca -0.13 -0.02 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 2k32 s THR 100 Cb -0.17 -0.51 0.26 0.00 -1.51 0.00 0.00 72.50 70.57 2k32 s THR 100 CO 0.07 -0.16 1.76 -1.13 -2.21 0.00 0.00 174.62 172.95 2k32 h ASN 101 N 8.39 0.00 0.00 8.08 -0.73 -1.82 0.17 115.58 129.67 2k32 h ASN 101 Ca -0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.02 2k32 h ASN 101 Cb 1.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2k32 h ASN 101 CO 0.26 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.50 2k32 n LEU 102 N -2.38 0.00 -4.12 0.34 4.77 -1.26 -4.57 117.00 109.78 2k32 n LEU 102 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2k32 n LEU 102 Cb 0.15 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 2k32 n LEU 102 CO 0.17 0.00 -0.37 0.20 -1.33 0.00 0.00 177.39 176.06 2k32 s ASN 103 N -4.00 0.75 0.00 -1.43 -0.87 -1.26 -5.07 114.94 103.05 2k32 s ASN 103 Ca 0.00 -0.99 0.28 0.00 -1.57 0.00 0.00 52.86 50.58 2k32 s ASN 103 Cb 0.00 0.16 1.54 0.00 -0.02 0.00 0.00 41.25 42.92 2k32 s ASN 103 CO 0.00 -0.54 2.00 -0.81 -2.57 0.00 0.00 177.10 175.18 2k32 n PRO 104 N 0.08 0.62 0.11 -0.60 -0.04 -1.26 -3.32 135.00 130.58 2k32 n PRO 104 Ca -0.13 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2k32 n PRO 104 Cb 0.61 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 33.00 2k32 n PRO 104 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2k32 n ILE 105 N -1.16 1.16 1.37 0.52 -5.35 -1.26 -1.59 119.36 113.05 2k32 n ILE 105 Ca 0.17 0.51 0.13 0.00 -0.27 0.00 0.00 62.75 63.30 2k32 n ILE 105 Cb 0.17 -1.47 0.44 0.00 -1.74 0.00 0.00 39.64 37.04 2k32 n ILE 105 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2k32 n TYR 106 N -2.04 0.00 -1.10 4.28 4.01 -1.21 -4.06 117.16 117.04 2k32 n TYR 106 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 2k32 n TYR 106 Cb 0.09 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 2k32 n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k32 n ALA 107 N -0.17 1.92 -3.40 -0.72 0.00 -0.62 -4.99 120.51 112.54 2k32 n ALA 107 Ca 0.16 -1.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.02 2k32 n ALA 107 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 2k32 n ALA 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k32 s ASP 108 N -1.48 -0.29 0.00 0.00 2.15 -1.18 -5.08 116.67 110.78 2k32 s ASP 108 Ca 0.11 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.63 2k32 s ASP 108 Cb 0.10 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 43.32 2k32 s ASP 108 CO 0.01 -1.09 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 2k32 n GLY 109 N -0.36 0.00 0.34 2.66 0.00 -1.26 -4.82 105.19 101.75 2k32 n GLY 109 Ca -0.10 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.10 2k32 n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k32 h SER 110 N 0.00 0.00 0.00 1.61 0.02 -2.01 -3.03 113.55 110.14 2k32 h SER 110 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k32 h SER 110 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k32 h SER 110 CO 0.00 0.00 -0.30 1.41 -1.14 0.00 0.00 176.83 176.80 2k32 n HIS 111 N -3.34 0.00 0.32 3.45 8.25 -1.26 -4.87 115.22 117.77 2k32 n HIS 111 Ca 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.67 2k32 n HIS 111 Cb 0.32 0.00 1.08 0.00 1.12 0.00 0.00 29.99 32.52 2k32 n HIS 111 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k32 h HIS 112 N 0.00 0.00 0.00 4.41 3.86 -1.93 -2.19 115.15 119.30 2k32 h HIS 112 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2k32 h HIS 112 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k32 h HIS 112 CO 0.00 0.00 -0.03 1.12 0.86 0.00 0.00 177.93 179.88 2k32 h HIS 113 N 0.00 0.00 -4.70 2.45 2.07 -1.89 -3.47 115.15 109.61 2k32 h HIS 113 Ca -0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 2k32 h HIS 113 Cb 0.13 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.08 2k32 h HIS 113 CO 0.00 0.03 -0.24 0.72 -3.07 0.00 0.00 177.93 175.37 2k32 n HIS 114 N -3.19 -1.70 1.50 6.12 8.25 -0.83 -4.86 115.22 120.51 2k32 n HIS 114 Ca -0.01 0.09 0.14 0.00 -0.26 0.00 0.00 57.72 57.68 2k32 n HIS 114 Cb 0.22 -2.00 0.75 0.00 1.12 0.00 0.00 29.99 30.08 2k32 n HIS 114 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k32 n HIS 115 N -3.12 0.00 -0.55 4.41 -0.00 -1.26 -5.22 115.22 109.48 2k32 n HIS 115 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 2k32 n HIS 115 Cb 0.55 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 2k32 n HIS 115 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95