#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 -0.22 -0.63 2.53 0.11 0.69 -4.94 120.40 117.94 2k32 s VAL 2 Ca 0.00 -0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 2k32 s VAL 2 Cb 0.00 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2k32 s VAL 2 CO 0.00 -0.23 2.03 -0.63 -3.33 0.00 0.00 175.10 172.93 2k32 s ILE 3 N 2.25 3.27 0.53 7.04 1.09 -1.26 -0.52 121.20 133.59 2k32 s ILE 3 Ca 0.05 0.08 -0.21 0.00 -1.10 0.00 0.00 60.65 59.47 2k32 s ILE 3 Cb -0.16 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 2k32 s ILE 3 CO -0.11 -0.66 1.23 -0.51 -0.10 0.00 0.00 174.94 174.79 2k32 s ILE 4 N 10.22 2.68 0.03 2.92 -1.16 0.59 -4.94 121.20 131.54 2k32 s ILE 4 Ca 0.76 0.47 -0.06 0.00 -0.51 0.00 0.00 60.65 61.31 2k32 s ILE 4 Cb -0.13 -3.22 -0.01 0.00 0.61 0.00 0.00 42.46 39.71 2k32 s ILE 4 CO 0.19 -0.04 0.12 -0.54 -2.81 0.00 0.00 174.94 171.85 2k32 s LYS 5 N -3.02 0.58 0.62 3.50 1.02 -1.26 -2.43 119.74 118.76 2k32 s LYS 5 Ca 0.71 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 2k32 s LYS 5 Cb -0.32 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 2k32 s LYS 5 CO 0.37 -0.15 1.05 -1.25 -0.92 0.00 0.00 175.35 174.45 2k32 s PRO 6 N -2.37 3.28 0.00 -1.68 0.04 -1.23 -4.94 135.00 128.10 2k32 s PRO 6 Ca -0.07 1.05 0.26 0.00 0.04 0.00 0.00 61.00 62.28 2k32 s PRO 6 Cb -0.02 -2.03 0.59 0.00 0.04 0.00 0.00 34.50 33.07 2k32 s PRO 6 CO -0.03 -0.83 1.49 0.00 0.04 0.00 0.00 177.00 177.66 2k32 n GLN 7 N -2.41 2.03 -3.75 4.56 10.64 -1.26 -4.49 117.38 122.70 2k32 n GLN 7 Ca 0.08 -1.50 -0.14 0.00 -1.83 0.00 0.00 57.00 53.60 2k32 n GLN 7 Cb 0.53 -1.47 -0.05 0.00 -0.86 0.00 0.00 30.24 28.40 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 0.81 0.00 -4.27 -0.39 0.24 -1.26 -4.99 118.33 108.47 2k32 n VAL 8 Ca 0.16 -1.79 -0.23 0.00 -2.04 0.00 0.00 64.34 60.45 2k32 n VAL 8 Cb 0.48 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 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 -2.90 4.63 0.00 -1.34 1.04 -1.26 -2.64 113.70 111.23 2k32 s SER 9 Ca 0.29 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2k32 s SER 9 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.24 2k32 s SER 9 CO 0.21 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2k32 n GLY 10 N -0.94 0.05 3.41 7.32 0.00 0.27 -4.42 105.19 110.89 2k32 n GLY 10 Ca -0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.02 0.43 1.61 1.01 -0.95 -0.86 120.40 121.66 2k32 s VAL 11 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 2k32 s VAL 11 Cb 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 2k32 s VAL 11 CO 0.00 -0.09 1.24 -0.63 0.00 0.00 0.00 175.10 175.61 2k32 s ILE 12 N -1.06 2.83 0.00 2.22 -1.09 -1.02 -1.13 121.20 121.95 2k32 s ILE 12 Ca -0.11 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2k32 s ILE 12 Cb -0.02 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2k32 s ILE 12 CO 0.07 0.05 0.00 0.52 -1.23 0.00 0.00 174.94 174.35 2k32 n VAL 13 N -0.18 0.00 -3.74 2.92 0.31 0.57 -2.43 118.33 115.77 2k32 n VAL 13 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 2k32 n VAL 13 Cb 0.46 -0.64 -0.06 0.00 -0.91 0.00 0.00 33.84 32.69 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 -3.30 -0.09 -0.40 4.52 3.84 -1.21 -4.90 114.94 113.39 2k32 s ASN 14 Ca 0.00 -0.49 0.02 0.00 0.21 0.00 0.00 52.86 52.60 2k32 s ASN 14 Cb 0.00 0.43 0.12 0.00 -0.55 0.00 0.00 41.25 41.25 2k32 s ASN 14 CO 0.00 -0.82 0.18 -0.54 -2.79 0.00 0.00 177.10 173.13 2k32 s LYS 15 N -3.84 1.27 0.02 0.43 -0.14 -1.26 -2.33 119.74 113.89 2k32 s LYS 15 Ca 0.05 -1.85 -0.23 0.00 -1.36 0.00 0.00 55.97 52.59 2k32 s LYS 15 Cb 0.03 -2.52 -0.17 0.00 -1.68 0.00 0.00 37.83 33.49 2k32 s LYS 15 CO -0.10 -1.08 1.32 -0.07 -0.76 0.00 0.00 175.35 174.66 2k32 h LEU 16 N 7.16 0.22-10.43 3.17 -0.00 -1.16 -3.45 115.31 110.82 2k32 h LEU 16 Ca -0.06 -0.47 -0.41 0.00 -0.00 0.00 0.00 57.88 56.94 2k32 h LEU 16 Cb 0.96 -0.06 0.20 0.00 -0.00 0.00 0.00 40.66 41.75 2k32 h LEU 16 CO 0.52 0.65 0.14 0.72 -0.00 0.00 0.00 178.44 180.47 2k32 s PHE 17 N -4.33 0.31 0.00 1.13 -0.71 -1.20 -4.99 117.98 108.20 2k32 s PHE 17 Ca -0.15 0.41 0.00 0.00 -1.04 0.00 0.00 56.93 56.15 2k32 s PHE 17 Cb 0.04 -3.53 -0.00 0.00 -1.21 0.00 0.00 43.02 38.32 2k32 s PHE 17 CO 0.72 -3.94 -0.01 0.15 -1.34 0.00 0.00 175.22 170.80 2k32 s LYS 18 N -5.51 0.06 -0.54 1.99 -0.14 -1.26 -5.09 119.74 109.25 2k32 s LYS 18 Ca 0.72 -0.11 -0.27 0.00 -1.36 0.00 0.00 55.97 54.95 2k32 s LYS 18 Cb -0.08 0.01 -0.09 0.00 -1.68 0.00 0.00 37.83 35.99 2k32 s LYS 18 CO 0.56 -0.01 2.44 0.00 -0.76 0.00 0.00 175.35 177.58 2k32 n ALA 19 N 2.82 0.79 0.00 5.17 0.00 -1.26 -1.48 120.51 126.54 2k32 n ALA 19 Ca -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2k32 n ALA 19 Cb 0.59 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 6.09 0.99 3.60 0.00 0.00 -0.99 -4.85 105.19 110.04 2k32 n GLY 20 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 2k32 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k32 s ASP 21 N -1.93 0.81 0.55 1.61 2.15 -0.55 -4.64 116.67 114.68 2k32 s ASP 21 Ca 0.00 0.52 -0.05 0.00 0.43 0.00 0.00 52.55 53.46 2k32 s ASP 21 Cb 0.00 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.94 2k32 s ASP 21 CO 0.00 -4.18 0.84 -0.54 -0.17 0.00 0.00 175.17 171.13 2k32 s LYS 22 N -5.51 3.00 -0.02 4.34 -0.14 -1.26 -1.66 119.74 118.50 2k32 s LYS 22 Ca 0.72 -0.09 0.01 0.00 -1.36 0.00 0.00 55.97 55.25 2k32 s LYS 22 Cb -0.08 -2.34 0.02 0.00 -1.68 0.00 0.00 37.83 33.75 2k32 s LYS 22 CO 0.56 -0.57 -0.01 0.14 -0.76 0.00 0.00 175.35 174.70 2k32 s VAL 23 N -2.88 0.20 0.56 3.17 -7.23 -0.34 -4.85 120.40 109.03 2k32 s VAL 23 Ca 0.52 -0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 2k32 s VAL 23 Cb -0.10 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 2k32 s VAL 23 CO 0.44 0.11 1.05 -0.75 -0.31 0.00 0.00 175.10 175.64 2k32 s LYS 24 N 0.58 3.48 -0.72 4.82 2.47 -1.26 -1.25 119.74 127.86 2k32 s LYS 24 Ca -0.06 1.26 -0.15 0.00 -1.56 0.00 0.00 55.97 55.47 2k32 s LYS 24 Cb -0.09 -2.05 -0.18 0.00 -1.46 0.00 0.00 37.83 34.05 2k32 s LYS 24 CO -0.01 -0.69 1.92 1.17 0.16 0.00 0.00 175.35 177.90 2k32 n LYS 25 N -1.68 0.16 0.00 4.03 3.00 -1.26 -1.51 118.16 120.91 2k32 n LYS 25 Ca 0.09 -0.60 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 2k32 n LYS 25 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 33.22 2k32 n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k32 n GLY 26 N 5.72 1.07 3.67 3.14 0.00 -1.24 -4.84 105.19 112.70 2k32 n GLY 26 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.84 1.61 -2.21 1.61 10.64 -0.57 -4.39 117.38 122.24 2k32 n GLN 27 Ca 0.00 0.58 -0.41 0.00 -1.83 0.00 0.00 57.00 55.34 2k32 n GLN 27 Cb 0.00 -2.27 -0.03 0.00 -0.86 0.00 0.00 30.24 27.09 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 -1.26 3.09 -0.00 -0.39 2.01 -1.26 -1.30 115.64 116.51 2k32 s THR 28 Ca 0.64 0.96 -0.00 0.00 0.31 0.00 0.00 61.69 63.60 2k32 s THR 28 Cb -0.51 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 2k32 s THR 28 CO 0.56 0.18 -0.00 0.18 -0.69 0.00 0.00 174.62 174.84 2k32 n LEU 29 N 1.95 1.69 -4.14 4.42 4.77 0.78 -4.19 117.00 122.28 2k32 n LEU 29 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2k32 n LEU 29 Cb 0.43 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2k32 n LEU 29 CO 0.58 0.29 -0.32 -0.36 -1.33 0.00 0.00 177.39 176.24 2k32 s PHE 30 N -2.01 0.78 0.04 -1.77 0.40 -1.02 -0.66 117.98 113.74 2k32 s PHE 30 Ca -0.01 -1.15 0.06 0.00 -0.60 0.00 0.00 56.93 55.24 2k32 s PHE 30 Cb 0.00 -0.47 -0.02 0.00 0.51 0.00 0.00 43.02 43.04 2k32 s PHE 30 CO 0.01 -0.43 -0.18 0.42 0.70 0.00 0.00 175.22 175.74 2k32 s ILE 31 N -3.95 1.44 0.12 0.64 1.01 -0.98 -1.38 121.20 118.10 2k32 s ILE 31 Ca 0.18 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.75 2k32 s ILE 31 Cb 0.07 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2k32 s ILE 31 CO -0.02 0.11 -0.12 -0.63 0.00 0.00 0.00 174.94 174.27 2k32 s ILE 32 N -0.84 1.22 -0.14 2.92 1.01 0.43 -0.31 121.20 125.49 2k32 s ILE 32 Ca 0.05 -1.79 0.02 0.00 0.00 0.00 0.00 60.65 58.93 2k32 s ILE 32 Cb -0.08 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.82 2k32 s ILE 32 CO 0.02 -0.52 -0.19 -0.70 0.00 0.00 0.00 174.94 173.55 2k32 s GLU 33 N -2.95 3.11 0.00 2.79 2.12 -0.28 -1.26 118.70 122.24 2k32 s GLU 33 Ca 0.10 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.62 2k32 s GLU 33 Cb -0.03 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.84 2k32 s GLU 33 CO 0.02 0.01 1.37 1.04 -0.54 0.00 0.00 175.26 177.16 2k32 n GLN 34 N 4.04 0.73 -2.39 4.30 6.02 -0.70 -2.25 117.38 127.13 2k32 n GLN 34 Ca -0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.79 2k32 n GLN 34 Cb 0.52 -1.13 -0.01 0.00 1.02 0.00 0.00 30.24 30.63 2k32 n GLN 34 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2k32 n ASP 35 N 1.51 -4.78 -0.20 1.08 2.03 -1.26 -4.95 116.55 109.98 2k32 n ASP 35 Ca 0.00 1.40 0.04 0.00 0.52 0.00 0.00 54.79 56.75 2k32 n ASP 35 Cb 0.37 -3.57 0.06 0.00 -0.72 0.00 0.00 41.12 37.26 2k32 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k32 n GLN 36 N 1.98 0.92 -0.11 -0.67 10.64 -1.26 -4.89 117.38 123.99 2k32 n GLN 36 Ca -0.07 -1.67 -0.07 0.00 -1.83 0.00 0.00 57.00 53.36 2k32 n GLN 36 Cb 0.11 -0.98 0.01 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.00 0.43 0.00 2.61 0.00 -2.01 -2.49 119.26 117.81 2k32 h ALA 37 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k32 h ALA 37 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k32 h ALA 37 CO 0.00 -0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.45 2k32 n SER 38 N -4.98 0.72 -0.15 0.00 7.64 -1.26 -4.01 113.62 111.59 2k32 n SER 38 Ca 0.01 0.58 -0.09 0.00 1.01 0.00 0.00 58.87 60.38 2k32 n SER 38 Cb 0.11 -0.77 -0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2k32 n SER 38 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k32 h LYS 39 N 0.00 0.65 -0.08 1.43 3.64 -1.80 0.30 116.57 120.71 2k32 h LYS 39 Ca 0.00 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 2k32 h LYS 39 Cb 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2k32 h LYS 39 CO 0.00 0.63 -0.19 0.22 -2.27 0.00 0.00 179.45 177.84 2k32 h ASP 40 N 0.54 0.31 0.04 4.20 3.58 -1.73 -3.19 116.42 120.17 2k32 h ASP 40 Ca 0.14 -0.58 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 2k32 h ASP 40 Cb 0.25 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2k32 h ASP 40 CO -0.01 0.84 -0.21 0.15 -2.88 0.00 0.00 179.24 177.12 2k32 h PHE 41 N -0.20 0.34 0.23 0.28 3.57 -1.62 -1.08 116.94 118.45 2k32 h PHE 41 Ca -0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k32 h PHE 41 Cb 0.79 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2k32 h PHE 41 CO 0.12 0.52 -0.11 -0.97 -2.23 0.00 0.00 178.31 175.63 2k32 h ASN 42 N 0.29 -0.26 0.40 0.41 -1.24 -1.11 -3.39 115.58 110.67 2k32 h ASN 42 Ca 0.05 -0.25 -0.08 0.00 0.71 0.00 0.00 56.30 56.72 2k32 h ASN 42 Cb 0.54 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 2k32 h ASN 42 CO 0.04 0.25 -0.39 0.03 -1.29 0.00 0.00 177.43 176.07 2k32 h ARG 43 N -0.91 0.00 -0.95 6.67 3.08 -1.47 -3.12 114.38 117.68 2k32 h ARG 43 Ca -0.03 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.26 2k32 h ARG 43 Cb 0.50 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 2k32 h ARG 43 CO 0.05 0.39 0.64 0.66 -1.07 0.00 0.00 179.97 180.64 2k32 h SER 44 N 0.00 0.32 0.62 7.04 4.64 -1.40 -0.27 113.55 124.50 2k32 h SER 44 Ca -0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2k32 h SER 44 Cb 0.69 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2k32 h SER 44 CO 0.05 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.41 2k32 n LYS 45 N -4.48 0.06 -0.26 4.77 5.02 -1.18 -4.04 118.16 118.06 2k32 n LYS 45 Ca 0.21 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2k32 n LYS 45 Cb 0.82 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2k32 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k32 n ALA 46 N -1.45 1.52 -1.37 7.82 0.00 -0.17 -5.14 120.51 121.72 2k32 n ALA 46 Ca 0.06 -0.58 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 2k32 n ALA 46 Cb 0.22 -0.20 0.08 0.00 0.00 0.00 0.00 19.45 19.55 2k32 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k32 n LEU 47 N 0.00 2.80 0.00 0.00 4.77 -0.84 -3.48 117.00 120.25 2k32 n LEU 47 Ca 0.00 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2k32 n LEU 47 Cb 0.58 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2k32 n LEU 47 CO 0.00 -2.31 0.00 0.49 -1.33 0.00 0.00 177.39 174.24 2k32 n PHE 48 N -2.36 0.00 -2.08 -1.77 3.72 -1.26 -4.97 117.46 108.74 2k32 n PHE 48 Ca 0.12 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 2k32 n PHE 48 Cb 0.49 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 2k32 n PHE 48 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k32 s SER 49 N -0.62 5.44 0.57 4.37 0.01 -1.23 -4.87 113.70 117.38 2k32 s SER 49 Ca 0.00 2.36 0.27 0.00 1.31 0.00 0.00 55.95 59.89 2k32 s SER 49 Cb 0.00 -2.60 1.60 0.00 0.21 0.00 0.00 66.02 65.23 2k32 s SER 49 CO 0.00 -1.42 2.12 -0.61 0.41 0.00 0.00 173.24 173.74 2k32 h GLN 50 N 1.16 0.00 0.58 12.44 5.75 -1.93 -2.25 115.11 130.86 2k32 h GLN 50 Ca -0.50 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 2k32 h GLN 50 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2k32 h GLN 50 CO 0.56 0.00 -0.31 0.66 -2.65 0.00 0.00 178.83 177.10 2k32 h SER 51 N 0.00 -0.74 0.75 -0.69 4.64 -1.92 -0.77 113.55 114.82 2k32 h SER 51 Ca 0.08 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k32 h SER 51 Cb 0.41 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2k32 h SER 51 CO -0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 176.83 175.45 2k32 h ALA 52 N -0.41 1.00 -0.01 5.18 0.00 -1.63 -3.08 119.26 120.31 2k32 h ALA 52 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k32 h ALA 52 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k32 h ALA 52 CO 0.11 0.00 -0.48 -0.89 0.00 0.00 0.00 179.25 177.99 2k32 n ILE 53 N -2.32 0.00 -1.77 0.00 2.08 -1.05 -3.60 119.36 112.70 2k32 n ILE 53 Ca 0.02 -0.26 -0.38 0.00 0.56 0.00 0.00 62.75 62.68 2k32 n ILE 53 Cb 0.24 1.11 0.04 0.00 -0.75 0.00 0.00 39.64 40.28 2k32 n ILE 53 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k32 s SER 54 N -2.08 5.30 0.00 4.38 0.01 -0.31 -4.63 113.70 116.37 2k32 s SER 54 Ca 0.10 2.79 0.04 0.00 1.31 0.00 0.00 55.95 60.19 2k32 s SER 54 Cb 0.12 -2.64 0.18 0.00 0.21 0.00 0.00 66.02 63.89 2k32 s SER 54 CO 0.48 -1.56 0.95 1.67 0.41 0.00 0.00 173.24 175.19 2k32 n GLN 55 N -0.97 0.05 -0.00 12.44 7.27 -1.26 -0.95 117.38 133.95 2k32 n GLN 55 Ca 0.10 0.26 0.08 0.00 0.07 0.00 0.00 57.00 57.51 2k32 n GLN 55 Cb 0.45 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.49 2k32 n GLN 55 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2k32 n LYS 56 N -1.30 1.31 -0.09 3.69 2.85 -1.26 -4.56 118.16 118.79 2k32 n LYS 56 Ca 0.02 -0.06 -0.12 0.00 -1.05 0.00 0.00 58.31 57.09 2k32 n LYS 56 Cb 0.03 -1.30 -0.15 0.00 -0.65 0.00 0.00 35.03 32.97 2k32 n LYS 56 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k32 n GLU 57 N -1.64 0.68 0.00 -1.58 4.71 -0.13 -4.75 120.64 117.93 2k32 n GLU 57 Ca 0.01 0.08 0.04 0.00 -0.01 0.00 0.00 57.16 57.28 2k32 n GLU 57 Cb 0.31 -1.56 0.24 0.00 -1.01 0.00 0.00 31.44 29.43 2k32 n GLU 57 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 2k32 n TYR 58 N -2.95 0.00 -0.07 -0.32 4.11 -0.33 -4.37 117.16 113.23 2k32 n TYR 58 Ca -0.35 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.67 2k32 n TYR 58 Cb 1.10 0.00 0.51 0.00 -0.00 0.00 0.00 39.34 40.95 2k32 n TYR 58 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 2k32 h ASP 59 N 0.00 0.34 0.45 9.48 3.58 -1.87 -0.52 116.42 127.89 2k32 h ASP 59 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2k32 h ASP 59 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2k32 h ASP 59 CO 0.00 0.21 0.00 -1.20 -2.88 0.00 0.00 179.24 175.37 2k32 n SER 60 N -4.47 0.40 -0.37 2.28 7.64 -1.26 -1.82 113.62 116.03 2k32 n SER 60 Ca 0.09 0.62 0.09 0.00 1.01 0.00 0.00 58.87 60.69 2k32 n SER 60 Cb 0.36 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 2k32 n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k32 n SER 61 N -1.96 1.69 -0.16 6.43 7.64 -0.21 -4.43 113.62 122.61 2k32 n SER 61 Ca 0.02 -1.35 0.13 0.00 1.01 0.00 0.00 58.87 58.68 2k32 n SER 61 Cb 0.15 0.56 0.39 0.00 -1.01 0.00 0.00 64.21 64.30 2k32 n SER 61 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k32 n LEU 62 N -0.29 0.79 -4.02 -3.43 7.99 -0.75 -4.98 117.00 112.31 2k32 n LEU 62 Ca 0.07 -0.14 -0.10 0.00 -0.01 0.00 0.00 56.01 55.84 2k32 n LEU 62 Cb 0.39 -0.17 -0.05 0.00 -0.11 0.00 0.00 43.42 43.48 2k32 n LEU 62 CO 0.27 0.15 0.16 0.00 -1.51 0.00 0.00 177.39 176.46 2k32 s ALA 63 N -2.63 -0.05 1.26 -1.18 0.00 -1.24 -5.11 121.76 112.81 2k32 s ALA 63 Ca 0.22 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 2k32 s ALA 63 Cb 0.19 1.09 0.25 0.00 0.00 0.00 0.00 23.12 24.65 2k32 s ALA 63 CO 0.55 -0.84 0.74 2.41 0.00 0.00 0.00 175.76 178.63 2k32 n THR 64 N -0.40 0.00 0.25 0.00 -1.04 -1.26 -4.88 114.28 106.94 2k32 n THR 64 Ca -0.01 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2k32 n THR 64 Cb 0.62 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 2k32 n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k32 n LEU 65 N 0.00 0.33 -2.67 -4.42 4.77 -1.26 -4.81 117.00 108.94 2k32 n LEU 65 Ca 0.11 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2k32 n LEU 65 Cb 0.44 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2k32 n LEU 65 CO 0.30 0.07 -0.10 -0.90 -1.33 0.00 0.00 177.39 175.43 2k32 n ASP 66 N 0.46 -3.23 -4.85 -1.43 5.68 -1.26 -4.82 116.55 107.10 2k32 n ASP 66 Ca 0.00 0.12 -0.31 0.00 -0.50 0.00 0.00 54.79 54.11 2k32 n ASP 66 Cb 0.07 -2.76 0.04 0.00 -1.14 0.00 0.00 41.12 37.33 2k32 n ASP 66 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2k32 s HIS 67 N -2.56 3.27 0.07 2.11 3.76 -1.26 -1.72 115.29 118.97 2k32 s HIS 67 Ca 0.09 1.26 0.01 0.00 -0.15 0.00 0.00 55.06 56.26 2k32 s HIS 67 Cb -0.05 -2.91 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 2k32 s HIS 67 CO 0.11 -1.14 -0.05 0.99 -0.85 0.00 0.00 174.74 173.80 2k32 s THR 68 N -3.17 0.50 0.13 1.30 2.01 -0.39 -4.93 115.64 111.09 2k32 s THR 68 Ca 0.58 -1.76 0.09 0.00 0.31 0.00 0.00 61.69 60.90 2k32 s THR 68 Cb -0.12 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2k32 s THR 68 CO 0.54 -0.85 -0.20 -1.61 -0.69 0.00 0.00 174.62 171.81 2k32 s GLU 69 N -3.52 1.20 -0.04 4.92 2.02 -1.26 -0.43 118.70 121.59 2k32 s GLU 69 Ca 0.07 -1.27 0.04 0.00 0.02 0.00 0.00 54.97 53.82 2k32 s GLU 69 Cb 0.04 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.87 2k32 s GLU 69 CO -0.06 0.31 -0.15 0.42 0.02 0.00 0.00 175.26 175.81 2k32 s ILE 70 N -1.51 1.23 0.03 -1.63 1.09 -0.48 -4.82 121.20 115.11 2k32 s ILE 70 Ca 0.11 -0.60 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 2k32 s ILE 70 Cb -0.08 -1.07 -0.02 0.00 -1.06 0.00 0.00 42.46 40.23 2k32 s ILE 70 CO 0.05 0.36 -0.07 -0.54 -0.10 0.00 0.00 174.94 174.65 2k32 s LYS 71 N 0.14 0.47 0.71 2.79 1.02 -1.26 -0.16 119.74 123.45 2k32 s LYS 71 Ca -0.05 -0.59 -0.16 0.00 0.02 0.00 0.00 55.97 55.19 2k32 s LYS 71 Cb -0.11 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.95 2k32 s LYS 71 CO 0.02 0.05 1.16 0.00 -0.92 0.00 0.00 175.35 175.66 2k32 n ALA 72 N 1.86 0.37 0.08 5.17 0.00 -0.42 -4.93 120.51 122.64 2k32 n ALA 72 Ca -0.20 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 2k32 n ALA 72 Cb 0.56 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 2k32 n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k32 h PRO 73 N -0.09 0.22 -2.47 0.00 0.13 -1.93 -3.29 132.00 124.57 2k32 h PRO 73 Ca -0.49 -0.23 0.11 0.00 -0.87 0.00 0.00 66.00 64.52 2k32 h PRO 73 Cb 1.33 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.41 2k32 h PRO 73 CO 0.49 0.95 0.43 -0.59 -0.23 0.00 0.00 178.00 179.05 2k32 s PHE 74 N -3.26 -0.29 0.28 1.56 -0.12 -1.26 -4.70 117.98 110.19 2k32 s PHE 74 Ca -0.03 0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 2k32 s PHE 74 Cb 0.10 0.59 -0.12 0.00 -0.63 0.00 0.00 43.02 42.96 2k32 s PHE 74 CO 0.83 -0.74 1.54 -3.47 -0.05 0.00 0.00 175.22 173.33 2k32 n ASP 75 N -0.36 3.55 0.00 1.98 -0.08 -1.26 -4.40 116.55 115.98 2k32 n ASP 75 Ca -0.09 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 2k32 n ASP 75 Cb 0.62 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.53 2k32 n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k32 n GLY 76 N 2.15 -0.66 3.47 0.27 0.00 -0.38 -4.22 105.19 105.81 2k32 n GLY 76 Ca 0.09 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.90 2.03 0.00 2.61 2.01 0.44 -1.20 115.64 117.64 2k32 s THR 77 Ca 0.00 -2.22 0.03 0.00 0.31 0.00 0.00 61.69 59.81 2k32 s THR 77 Cb 0.00 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 2k32 s THR 77 CO 0.00 -0.32 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.01 2k32 s ILE 78 N -2.77 0.70 0.47 1.82 2.07 -0.66 -0.26 121.20 122.59 2k32 s ILE 78 Ca 0.30 -0.49 -0.08 0.00 -1.41 0.00 0.00 60.65 58.97 2k32 s ILE 78 Cb 0.01 -0.61 0.11 0.00 0.13 0.00 0.00 42.46 42.10 2k32 s ILE 78 CO 0.14 0.12 0.60 0.61 -1.91 0.00 0.00 174.94 174.50 2k32 n GLY 79 N 2.65 -1.52 3.71 1.50 0.00 -0.23 -2.35 105.19 108.96 2k32 n GLY 79 Ca -0.15 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.20 6.49 0.63 1.61 -4.77 -1.26 -3.45 116.67 112.72 2k32 s ASP 80 Ca 0.35 2.71 -0.18 0.00 -3.30 0.00 0.00 52.55 52.12 2k32 s ASP 80 Cb -0.01 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 2k32 s ASP 80 CO 0.25 -0.92 0.99 0.00 0.70 0.00 0.00 175.17 176.18 2k32 n ALA 81 N 4.67 0.21 0.67 2.11 0.00 -1.26 -4.60 120.51 122.31 2k32 n ALA 81 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.65 2k32 n ALA 81 Cb 0.38 -2.13 0.02 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.02 1.80 -4.12 0.00 4.77 0.40 -4.96 117.00 113.87 2k32 n LEU 82 Ca 0.14 -0.84 -0.11 0.00 -0.03 0.00 0.00 56.01 55.18 2k32 n LEU 82 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2k32 n LEU 82 CO 0.49 0.34 -0.15 0.68 -1.33 0.00 0.00 177.39 177.42 2k32 s VAL 83 N -1.67 0.03 0.09 4.08 -7.23 -1.25 -4.93 120.40 109.53 2k32 s VAL 83 Ca 0.14 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2k32 s VAL 83 Cb 0.13 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2k32 s VAL 83 CO 0.32 -0.14 0.06 0.54 -0.31 0.00 0.00 175.10 175.58 2k32 s ASN 84 N -3.08 0.33 -0.49 4.85 2.20 -1.26 -5.03 114.94 112.45 2k32 s ASN 84 Ca 0.30 -0.98 -0.27 0.00 -0.94 0.00 0.00 52.86 50.97 2k32 s ASN 84 Cb 0.05 0.28 -0.04 0.00 -2.00 0.00 0.00 41.25 39.53 2k32 s ASN 84 CO 0.07 -0.69 2.11 -0.63 -2.94 0.00 0.00 177.10 175.02 2k32 s ILE 85 N -3.95 3.20 0.00 0.54 1.09 -1.26 -0.63 121.20 120.18 2k32 s ILE 85 Ca 0.12 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.82 2k32 s ILE 85 Cb 0.07 -3.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.03 2k32 s ILE 85 CO -0.06 -0.39 0.00 0.61 -0.10 0.00 0.00 174.94 175.00 2k32 n GLY 86 N 5.79 1.86 3.70 6.18 0.00 -1.02 -4.99 105.19 116.72 2k32 n GLY 86 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2k32 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k32 s ASP 87 N -1.97 6.43 -0.57 1.61 -1.08 0.19 -4.84 116.67 116.44 2k32 s ASP 87 Ca 0.00 2.77 -0.28 0.00 -0.52 0.00 0.00 52.55 54.52 2k32 s ASP 87 Cb 0.00 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 2k32 s ASP 87 CO 0.00 -0.98 1.33 -0.47 0.52 0.00 0.00 175.17 175.57 2k32 s TYR 88 N 2.16 2.41 0.04 -5.34 6.14 -1.26 -2.44 117.35 119.06 2k32 s TYR 88 Ca 0.78 0.43 0.03 0.00 0.64 0.00 0.00 57.07 58.95 2k32 s TYR 88 Cb -0.47 -4.45 -0.04 0.00 0.42 0.00 0.00 41.96 37.43 2k32 s TYR 88 CO 0.34 -1.84 0.02 0.14 0.64 0.00 0.00 175.55 174.86 2k32 s VAL 89 N 5.61 4.25 -0.01 3.14 -7.23 -0.04 -4.95 120.40 121.17 2k32 s VAL 89 Ca 0.48 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 2k32 s VAL 89 Cb -0.09 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2k32 s VAL 89 CO 0.25 0.25 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.69 2k32 s SER 90 N -1.97 0.57 0.00 4.85 0.15 -1.26 -0.57 113.70 115.47 2k32 s SER 90 Ca 0.24 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2k32 s SER 90 Cb -0.12 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2k32 s SER 90 CO 0.15 0.03 0.20 0.00 1.20 0.00 0.00 173.24 174.83 2k32 n ALA 91 N 3.19 0.00 1.21 5.45 0.00 -1.08 -1.23 120.51 128.05 2k32 n ALA 91 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 2k32 n ALA 91 Cb 0.57 0.10 0.30 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.83 2.31 0.01 0.00 7.64 -1.26 -3.55 113.62 117.95 2k32 n SER 92 Ca 0.00 -1.77 0.11 0.00 1.01 0.00 0.00 58.87 58.22 2k32 n SER 92 Cb 0.00 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.81 0.10 0.00 0.44 -1.04 -0.36 -4.71 114.28 109.52 2k32 n THR 93 Ca 0.16 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2k32 n THR 93 Cb 0.49 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.35 2k32 n THR 93 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2k32 n THR 94 N -1.90 0.00 -1.80 12.58 -1.04 -1.11 -4.91 114.28 116.10 2k32 n THR 94 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2k32 n THR 94 Cb 0.43 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 2k32 n THR 94 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k32 n GLU 95 N -1.58 -4.97 -0.13 -2.82 1.02 -1.26 -5.02 120.64 105.87 2k32 n GLU 95 Ca 0.00 3.58 -0.25 0.00 -0.02 0.00 0.00 57.16 60.47 2k32 n GLU 95 Cb 0.32 -3.90 -0.11 0.00 -0.02 0.00 0.00 31.44 27.73 2k32 n GLU 95 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k32 n LEU 96 N 0.82 2.35 0.00 -4.62 4.77 -1.02 -4.60 117.00 114.71 2k32 n LEU 96 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2k32 n LEU 96 Cb 0.00 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2k32 n LEU 96 CO 0.00 0.71 0.00 0.55 -1.33 0.00 0.00 177.39 177.32 2k32 n VAL 97 N -3.87 0.00 -3.55 4.08 3.14 -1.25 -0.45 118.33 116.42 2k32 n VAL 97 Ca -0.50 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.51 2k32 n VAL 97 Cb 0.92 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.64 2k32 n VAL 97 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k32 s ARG 98 N -2.00 4.08 0.17 1.45 1.70 -1.26 -0.30 118.95 122.80 2k32 s ARG 98 Ca 0.00 0.17 -0.05 0.00 -0.47 0.00 0.00 55.73 55.38 2k32 s ARG 98 Cb 0.00 -3.35 -0.06 0.00 -0.57 0.00 0.00 34.95 30.97 2k32 s ARG 98 CO 0.00 0.41 0.42 0.08 -1.08 0.00 0.00 175.30 175.12 2k32 s VAL 99 N -0.07 5.12 -0.17 4.99 1.01 0.32 -1.07 120.40 130.53 2k32 s VAL 99 Ca 0.19 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 2k32 s VAL 99 Cb -0.14 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.65 2k32 s VAL 99 CO 0.07 -0.02 0.43 0.28 0.00 0.00 0.00 175.10 175.86 2k32 s THR 100 N -1.73 -0.01 0.42 3.92 -1.32 0.65 -0.23 115.64 117.35 2k32 s THR 100 Ca 0.42 0.04 -0.25 0.00 -1.21 0.00 0.00 61.69 60.69 2k32 s THR 100 Cb -0.12 -0.62 -0.08 0.00 -1.51 0.00 0.00 72.50 70.17 2k32 s THR 100 CO 0.25 0.01 1.20 0.21 -2.21 0.00 0.00 174.62 174.08 2k32 s ASN 101 N 0.71 6.34 0.00 8.08 3.84 -1.26 -0.42 114.94 132.23 2k32 s ASN 101 Ca -0.04 2.40 0.00 0.00 0.21 0.00 0.00 52.86 55.43 2k32 s ASN 101 Cb -0.05 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 2k32 s ASN 101 CO -0.05 -0.81 0.28 0.18 -2.79 0.00 0.00 177.10 173.91 2k32 n LEU 102 N -0.11 0.52 -4.15 3.21 4.77 -1.26 -4.78 117.00 115.21 2k32 n LEU 102 Ca 0.05 0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 56.45 2k32 n LEU 102 Cb 0.46 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 2k32 n LEU 102 CO 0.51 -0.37 -0.39 0.20 -1.33 0.00 0.00 177.39 176.01 2k32 s ASN 103 N -2.33 1.10 0.00 -1.43 -0.87 -1.26 -5.07 114.94 105.08 2k32 s ASN 103 Ca 0.00 -0.90 0.30 0.00 -1.57 0.00 0.00 52.86 50.70 2k32 s ASN 103 Cb 0.00 0.08 1.68 0.00 -0.02 0.00 0.00 41.25 42.99 2k32 s ASN 103 CO 0.00 -0.40 2.10 -0.81 -2.57 0.00 0.00 177.10 175.42 2k32 n PRO 104 N 0.32 1.13 0.00 -0.60 -0.04 -1.26 -3.05 135.00 131.51 2k32 n PRO 104 Ca -0.15 -0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2k32 n PRO 104 Cb 0.59 -1.48 0.55 0.00 -0.04 0.00 0.00 33.50 33.13 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 -0.75 0.18 0.00 0.52 -5.35 -1.26 -3.83 119.36 108.87 2k32 n ILE 105 Ca 0.22 0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.75 2k32 n ILE 105 Cb 0.15 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 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 -1.13 0.00 -3.60 4.28 4.01 -1.17 -5.09 117.16 114.46 2k32 n TYR 106 Ca 0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.74 2k32 n TYR 106 Cb 0.11 0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.09 2k32 n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k32 s ALA 107 N -1.98 -1.86 -0.18 -0.72 0.00 -1.25 -4.88 121.76 110.88 2k32 s ALA 107 Ca 0.00 1.77 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 2k32 s ALA 107 Cb 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 23.12 22.02 2k32 s ALA 107 CO 0.00 -0.31 3.30 -3.47 0.00 0.00 0.00 175.76 175.28 2k32 n ASP 108 N 1.88 5.72 -2.83 0.00 2.03 -1.15 -4.20 116.55 117.99 2k32 n ASP 108 Ca -0.14 -2.76 -0.19 0.00 0.52 0.00 0.00 54.79 52.22 2k32 n ASP 108 Cb 0.56 -1.35 0.01 0.00 -0.72 0.00 0.00 41.12 39.62 2k32 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k32 n GLY 109 N 1.88 -0.50 3.70 0.27 0.00 -1.26 -4.57 105.19 104.70 2k32 n GLY 109 Ca 0.45 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 2k32 n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k32 s SER 110 N -2.40 -0.23 0.00 1.61 0.15 -1.26 -4.96 113.70 106.60 2k32 s SER 110 Ca 0.19 -0.64 0.12 0.00 0.70 0.00 0.00 55.95 56.31 2k32 s SER 110 Cb -0.09 0.65 0.61 0.00 -1.71 0.00 0.00 66.02 65.49 2k32 s SER 110 CO 0.23 -1.22 1.25 0.00 1.20 0.00 0.00 173.24 174.70 2k32 n HIS 111 N -0.41 0.00 -4.23 3.44 1.44 -1.26 -4.83 115.22 109.37 2k32 n HIS 111 Ca -0.05 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.52 2k32 n HIS 111 Cb 0.61 -0.22 -0.09 0.00 0.12 0.00 0.00 29.99 30.40 2k32 n HIS 111 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k32 s HIS 112 N -2.45 1.34 -1.17 -1.40 5.65 -1.26 -5.05 115.29 110.96 2k32 s HIS 112 Ca 0.13 -1.46 0.00 0.00 0.25 0.00 0.00 55.06 53.97 2k32 s HIS 112 Cb 0.08 -0.61 0.00 0.00 -1.18 0.00 0.00 32.58 30.87 2k32 s HIS 112 CO 0.17 -0.71 0.54 0.72 -0.65 0.00 0.00 174.74 174.81 2k32 n HIS 113 N -0.38 0.00 -3.85 3.88 -0.00 -1.26 -2.95 115.22 110.66 2k32 n HIS 113 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.67 2k32 n HIS 113 Cb 0.65 -0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.49 2k32 n HIS 113 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k32 s HIS 114 N -1.17 0.14 -1.51 4.41 2.46 -1.26 -4.84 115.29 113.51 2k32 s HIS 114 Ca 0.00 -0.55 0.21 0.00 0.47 0.00 0.00 55.06 55.19 2k32 s HIS 114 Cb 0.00 -0.05 1.07 0.00 -0.13 0.00 0.00 32.58 33.47 2k32 s HIS 114 CO 0.00 -0.53 1.65 0.72 -2.47 0.00 0.00 174.74 174.11 2k32 n HIS 115 N 0.02 0.00 -1.12 3.88 -0.00 -1.26 -4.79 115.22 111.96 2k32 n HIS 115 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2k32 n HIS 115 Cb 0.62 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2k32 n HIS 115 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92