#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p84 s VAL 2 N 0.00 4.91 -0.01 3.84 1.01 -1.26 -4.44 120.40 124.45 1p84 s VAL 2 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1p84 s VAL 2 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1p84 s VAL 2 CO 0.00 0.55 -0.05 -0.54 0.00 0.00 0.00 175.10 175.07 1p84 s LYS 3 N -0.98 0.44 -0.19 2.72 -0.14 -0.60 -5.02 119.74 115.98 1p84 s LYS 3 Ca 0.26 -0.15 0.01 0.00 -1.36 0.00 0.00 55.97 54.73 1p84 s LYS 3 Cb -0.18 -0.44 0.03 0.00 -1.68 0.00 0.00 37.83 35.56 1p84 s LYS 3 CO 0.16 0.07 -0.17 -0.51 -0.76 0.00 0.00 175.35 174.14 1p84 s LEU 4 N 0.08 2.22 -0.16 3.17 1.02 -1.26 -1.78 118.68 121.97 1p84 s LEU 4 Ca -0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 54.13 53.40 1p84 s LEU 4 Cb -0.04 -1.41 -0.00 0.00 0.02 0.00 0.00 46.19 44.76 1p84 s LEU 4 CO -0.00 -0.05 -0.13 -1.10 0.02 0.00 0.00 176.35 175.09 1p84 s GLN 5 N 1.31 3.27 0.01 1.70 1.11 -0.56 -3.94 119.66 122.56 1p84 s GLN 5 Ca 0.03 -0.71 -0.02 0.00 0.01 0.00 0.00 55.36 54.67 1p84 s GLN 5 Cb -0.14 -2.70 -0.04 0.00 -1.01 0.00 0.00 33.01 29.12 1p84 s GLN 5 CO -0.11 0.01 0.16 -1.21 0.01 0.00 0.00 175.29 174.15 1p84 s GLU 6 N 0.86 3.35 0.08 2.91 2.02 -1.26 -1.08 118.70 125.57 1p84 s GLU 6 Ca -0.04 -0.38 -0.18 0.00 0.02 0.00 0.00 54.97 54.38 1p84 s GLU 6 Cb -0.15 -3.03 0.04 0.00 0.10 0.00 0.00 34.13 31.09 1p84 s GLU 6 CO -0.00 0.66 0.44 -1.54 0.02 0.00 0.00 175.26 174.83 1p84 s SER 7 N -2.01 -0.31 0.00 -0.19 1.04 -0.79 -4.98 113.70 106.46 1p84 s SER 7 Ca 0.28 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1p84 s SER 7 Cb -0.13 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1p84 s SER 7 CO 0.19 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1p84 n GLY 8 N 0.19 0.46 3.60 7.32 0.00 -1.26 -1.70 105.19 113.80 1p84 n GLY 8 Ca -0.17 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1p84 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p84 n ALA 9 N -0.84 1.77 0.72 4.61 0.00 -1.24 -4.87 120.51 120.65 1p84 n ALA 9 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.26 1p84 n ALA 9 Cb 0.00 -2.90 0.14 0.00 0.00 0.00 0.00 19.45 16.69 1p84 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p84 n GLY 10 N 5.69 1.10 3.46 0.00 0.00 -1.26 -4.77 105.19 109.40 1p84 n GLY 10 Ca 0.29 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1p84 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p84 s LEU 11 N -1.04 -0.52 0.11 0.99 0.20 -1.26 -3.14 118.68 114.02 1p84 s LEU 11 Ca 0.21 0.74 0.04 0.00 0.69 0.00 0.00 54.13 55.81 1p84 s LEU 11 Cb 0.13 1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 47.48 1p84 s LEU 11 CO 0.10 -0.11 -0.11 0.68 -0.29 0.00 0.00 176.35 176.63 1p84 s VAL 12 N 2.11 1.07 0.15 1.68 -7.23 -0.98 -4.97 120.40 112.23 1p84 s VAL 12 Ca -0.04 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1p84 s VAL 12 Cb -0.05 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.39 1p84 s VAL 12 CO -0.17 -0.52 0.51 -1.10 -0.31 0.00 0.00 175.10 173.51 1p84 s GLN 13 N -2.80 3.89 0.68 4.82 -0.21 -1.25 -2.38 119.66 122.40 1p84 s GLN 13 Ca 0.07 0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.65 1p84 s GLN 13 Cb -0.03 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.05 1p84 s GLN 13 CO 0.01 0.47 0.73 -0.35 -2.12 0.00 0.00 175.29 174.03 1p84 n PRO 14 N 0.64 0.49 -0.61 2.91 -0.04 -1.26 -2.36 135.00 134.77 1p84 n PRO 14 Ca -0.05 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1p84 n PRO 14 Cb 0.52 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1p84 n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1p84 n SER 15 N -0.68 0.00 -4.33 3.54 2.88 -0.70 -4.93 113.62 109.40 1p84 n SER 15 Ca 0.12 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.49 1p84 n SER 15 Cb 0.49 -0.36 0.04 0.00 -0.75 0.00 0.00 64.21 63.63 1p84 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p84 n GLN 16 N -2.00 0.72 -4.11 -1.46 1.13 -0.99 -4.45 117.38 106.22 1p84 n GLN 16 Ca 0.00 -2.56 -0.34 0.00 -1.94 0.00 0.00 57.00 52.15 1p84 n GLN 16 Cb 0.00 -0.07 -0.10 0.00 0.11 0.00 0.00 30.24 30.18 1p84 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1p84 s SER 17 N -3.80 5.37 -0.24 1.08 0.01 -1.26 -1.43 113.70 113.44 1p84 s SER 17 Ca 0.42 0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.50 1p84 s SER 17 Cb -0.03 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 1p84 s SER 17 CO 0.27 0.16 0.59 -0.22 0.41 0.00 0.00 173.24 174.46 1p84 s LEU 18 N 0.42 4.09 -0.17 2.44 2.96 -0.54 -4.95 118.68 122.93 1p84 s LEU 18 Ca 0.01 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1p84 s LEU 18 Cb -0.13 -2.80 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1p84 s LEU 18 CO 0.01 -0.31 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.14 1p84 s SER 19 N 1.39 3.06 -0.01 3.68 0.01 -1.26 -1.25 113.70 119.31 1p84 s SER 19 Ca 0.25 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 56.92 1p84 s SER 19 Cb -0.16 -1.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.75 1p84 s SER 19 CO 0.09 -0.06 -0.22 -0.76 0.41 0.00 0.00 173.24 172.70 1p84 s LEU 20 N 1.39 2.05 -0.05 2.44 1.43 -0.72 -3.73 118.68 121.49 1p84 s LEU 20 Ca 0.03 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1p84 s LEU 20 Cb -0.14 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1p84 s LEU 20 CO -0.11 0.26 -0.22 0.28 0.23 0.00 0.00 176.35 176.79 1p84 s THR 21 N -0.53 2.35 -0.22 5.49 -1.32 -0.69 -0.68 115.64 120.05 1p84 s THR 21 Ca 0.08 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.60 1p84 s THR 21 Cb -0.08 -1.87 0.03 0.00 -1.51 0.00 0.00 72.50 69.07 1p84 s THR 21 CO -0.01 0.58 -0.14 0.00 -2.21 0.00 0.00 174.62 172.84 1p84 s SER 23 N 1.24 5.92 -0.12 0.00 0.01 -0.24 -1.81 113.70 118.71 1p84 s SER 23 Ca -0.00 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 1p84 s SER 23 Cb -0.16 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1p84 s SER 23 CO -0.09 0.10 0.00 -0.69 0.41 0.00 0.00 173.24 172.97 1p84 s VAL 24 N 0.83 4.28 -0.03 3.43 1.01 -0.80 -1.50 120.40 127.62 1p84 s VAL 24 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1p84 s VAL 24 Cb -0.13 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1p84 s VAL 24 CO 0.02 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 175.99 1p84 s THR 25 N -0.35 0.91 0.00 3.92 -4.23 -0.73 -4.79 115.64 110.36 1p84 s THR 25 Ca 0.07 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1p84 s THR 25 Cb -0.12 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1p84 s THR 25 CO 0.02 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1p84 n GLY 26 N 3.32 0.86 3.65 3.99 0.00 -1.26 -1.55 105.19 114.19 1p84 n GLY 26 Ca -0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1p84 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p84 s TYR 27 N -2.00 -0.00 -0.06 1.61 5.04 -1.26 -4.54 117.35 116.13 1p84 s TYR 27 Ca 0.00 0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 1p84 s TYR 27 Cb 0.00 0.50 -0.04 0.00 0.35 0.00 0.00 41.96 42.77 1p84 s TYR 27 CO 0.00 -0.00 0.14 -1.12 -1.34 0.00 0.00 175.55 173.23 1p84 s SER 28 N -0.62 6.24 0.41 4.32 0.01 -1.26 -4.92 113.70 117.88 1p84 s SER 28 Ca 0.09 0.37 0.09 0.00 1.31 0.00 0.00 55.95 57.81 1p84 s SER 28 Cb -0.03 -1.96 0.91 0.00 0.21 0.00 0.00 66.02 65.15 1p84 s SER 28 CO -0.12 0.34 2.03 0.40 0.41 0.00 0.00 173.24 176.29 1p84 h ILE 29 N 3.48 1.03 0.00 1.44 1.08 -1.94 -1.22 117.51 121.38 1p84 h ILE 29 Ca -0.52 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1p84 h ILE 29 Cb 1.21 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1p84 h ILE 29 CO 0.62 0.10 -0.35 1.07 -0.69 0.00 0.00 178.15 178.90 1p84 n THR 30 N -4.47 0.42 0.12 -0.27 5.66 -1.26 -4.06 114.28 110.41 1p84 n THR 30 Ca 0.06 -0.25 0.02 0.00 -3.05 0.00 0.00 64.05 60.83 1p84 n THR 30 Cb 0.18 -0.30 0.37 0.00 -1.55 0.00 0.00 70.33 69.03 1p84 n THR 30 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1p84 h SER 31 N 0.00 0.21 0.00 1.09 0.02 -1.52 -3.45 113.55 109.90 1p84 h SER 31 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1p84 h SER 31 Cb 0.72 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1p84 h SER 31 CO 0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 1p84 n GLY 32 N -0.78 -1.67 0.00 -3.77 0.00 -1.25 -5.05 105.19 92.67 1p84 n GLY 32 Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1p84 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p84 n TYR 33 N -0.64 0.00 -4.67 1.61 4.01 -1.26 -4.44 117.16 111.77 1p84 n TYR 33 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1p84 n TYR 33 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 1p84 n TYR 33 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1p84 s TYR 34 N 0.48 2.88 -0.34 -0.72 2.02 -0.88 -2.90 117.35 117.89 1p84 s TYR 34 Ca 0.00 -0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1p84 s TYR 34 Cb 0.00 -1.76 0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1p84 s TYR 34 CO 0.00 0.16 0.09 -1.58 -1.57 0.00 0.00 175.55 172.65 1p84 s TRP 35 N -0.42 3.28 0.31 2.71 0.52 -0.88 -0.54 118.94 123.93 1p84 s TRP 35 Ca 0.06 -1.62 0.07 0.00 0.02 0.00 0.00 56.10 54.63 1p84 s TRP 35 Cb -0.12 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1p84 s TRP 35 CO 0.02 -0.77 0.33 -0.80 0.02 0.00 0.00 176.95 175.75 1p84 s ASN 36 N 1.44 5.64 -0.05 2.95 0.01 0.20 -1.82 114.94 123.31 1p84 s ASN 36 Ca -0.02 -0.30 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 1p84 s ASN 36 Cb -0.20 -1.22 0.02 0.00 0.41 0.00 0.00 41.25 40.26 1p84 s ASN 36 CO 0.01 -0.29 -0.05 0.26 -1.51 0.00 0.00 177.10 175.52 1p84 s TRP 37 N -2.20 0.82 -0.05 2.20 0.23 -0.82 -1.00 118.94 118.11 1p84 s TRP 37 Ca 0.40 -0.24 -0.06 0.00 -2.03 0.00 0.00 56.10 54.17 1p84 s TRP 37 Cb -0.08 -0.72 0.01 0.00 0.03 0.00 0.00 33.47 32.72 1p84 s TRP 37 CO 0.28 -0.21 0.16 0.96 0.96 0.00 0.00 176.95 179.10 1p84 s ILE 38 N 0.96 0.02 0.09 2.03 -4.36 0.53 -1.42 121.20 119.06 1p84 s ILE 38 Ca -0.10 -0.15 0.04 0.00 -0.26 0.00 0.00 60.65 60.18 1p84 s ILE 38 Cb -0.14 -0.28 -0.04 0.00 1.25 0.00 0.00 42.46 43.25 1p84 s ILE 38 CO 0.00 -0.08 0.05 0.00 0.24 0.00 0.00 174.94 175.14 1p84 s ARG 39 N -0.23 2.72 -0.36 0.37 1.70 -0.94 0.40 118.95 122.61 1p84 s ARG 39 Ca -0.03 -0.78 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1p84 s ARG 39 Cb -0.03 -2.63 0.09 0.00 -0.57 0.00 0.00 34.95 31.82 1p84 s ARG 39 CO 0.01 0.54 0.09 -1.17 -1.08 0.00 0.00 175.30 173.69 1p84 s LEU 40 N -2.43 4.75 0.61 -1.89 2.96 0.11 -2.01 118.68 120.77 1p84 s LEU 40 Ca 0.28 -1.95 -0.17 0.00 -0.22 0.00 0.00 54.13 52.07 1p84 s LEU 40 Cb -0.12 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1p84 s LEU 40 CO 0.20 -0.41 1.13 -0.36 -1.32 0.00 0.00 176.35 175.59 1p84 s PHE 41 N 1.05 2.60 0.64 5.38 2.99 -1.26 -2.44 117.98 126.95 1p84 s PHE 41 Ca 0.06 1.55 0.41 0.00 0.00 0.00 0.00 56.93 58.95 1p84 s PHE 41 Cb -0.21 -3.26 2.27 0.00 0.00 0.00 0.00 43.02 41.83 1p84 s PHE 41 CO -0.06 -1.71 2.34 -1.00 -0.00 0.00 0.00 175.22 174.79 1p84 h PRO 42 N 0.58 0.00 -0.17 0.24 0.13 -1.96 -0.91 132.00 129.91 1p84 h PRO 42 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1p84 h PRO 42 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p84 h PRO 42 CO 0.55 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1p84 n GLY 43 N -1.14 -0.16 3.23 1.56 0.00 -1.26 -4.93 105.19 102.48 1p84 n GLY 43 Ca -0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1p84 n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p84 n ASN 44 N 0.00 -4.62 -3.55 1.61 3.02 -0.35 -5.03 115.26 106.34 1p84 n ASN 44 Ca 0.07 -0.64 -0.29 0.00 -0.03 0.00 0.00 54.58 53.69 1p84 n ASN 44 Cb 0.16 -4.97 -0.12 0.00 -0.61 0.00 0.00 39.78 34.24 1p84 n ASN 44 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1p84 s LYS 45 N -4.73 0.79 0.34 3.52 -2.85 -1.26 -5.01 119.74 110.54 1p84 s LYS 45 Ca 0.26 -1.52 -0.28 0.00 -1.00 0.00 0.00 55.97 53.42 1p84 s LYS 45 Cb -0.03 -1.66 -0.12 0.00 -2.06 0.00 0.00 37.83 33.96 1p84 s LYS 45 CO 0.70 -1.18 1.37 1.28 0.10 0.00 0.00 175.35 177.62 1p84 n LEU 46 N 3.93 3.83 -3.96 2.77 4.77 -1.26 -4.14 117.00 122.95 1p84 n LEU 46 Ca 0.10 1.20 -0.23 0.00 -0.03 0.00 0.00 56.01 57.05 1p84 n LEU 46 Cb 0.36 -1.52 -0.17 0.00 -2.33 0.00 0.00 43.42 39.77 1p84 n LEU 46 CO 0.17 -0.30 -0.44 -0.70 -1.33 0.00 0.00 177.39 174.79 1p84 s GLU 47 N -1.68 1.32 -0.08 3.23 2.12 -0.85 -5.03 118.70 117.73 1p84 s GLU 47 Ca 0.57 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 1p84 s GLU 47 Cb -0.55 -1.20 -0.03 0.00 0.26 0.00 0.00 34.13 32.62 1p84 s GLU 47 CO 0.60 -0.05 1.15 -0.46 -0.54 0.00 0.00 175.26 175.97 1p84 s TRP 48 N 0.89 3.25 -0.16 5.30 -0.00 -1.26 -2.22 118.94 124.75 1p84 s TRP 48 Ca -0.11 1.30 -0.14 0.00 -0.00 0.00 0.00 56.10 57.15 1p84 s TRP 48 Cb -0.15 -3.37 -0.10 0.00 -0.00 0.00 0.00 33.47 29.85 1p84 s TRP 48 CO 0.01 -1.06 0.06 0.28 -0.00 0.00 0.00 176.95 176.24 1p84 h VAL 49 N 5.07 0.46 0.00 5.86 2.07 -1.61 -3.42 116.25 124.68 1p84 h VAL 49 Ca -0.32 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1p84 h VAL 49 Cb 1.15 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1p84 h VAL 49 CO 0.88 0.16 0.00 0.61 0.02 0.00 0.00 177.57 179.24 1p84 n GLY 50 N 1.58 -1.27 3.72 2.17 0.00 -1.14 -1.24 105.19 109.01 1p84 n GLY 50 Ca -0.15 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1p84 n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p84 s TYR 51 N -3.00 0.29 -0.03 1.61 -0.00 -0.13 -1.95 117.35 114.14 1p84 s TYR 51 Ca 0.00 -0.79 -0.01 0.00 -0.00 0.00 0.00 57.07 56.28 1p84 s TYR 51 Cb 0.00 0.53 0.03 0.00 -0.00 0.00 0.00 41.96 42.52 1p84 s TYR 51 CO 0.00 -1.33 0.05 -1.50 -0.00 0.00 0.00 175.55 172.77 1p84 s ILE 52 N -3.03 -0.07 0.89 -3.49 2.07 -0.76 -2.68 121.20 114.13 1p84 s ILE 52 Ca 0.19 0.24 -0.14 0.00 -1.41 0.00 0.00 60.65 59.52 1p84 s ILE 52 Cb -0.04 -0.11 0.14 0.00 0.13 0.00 0.00 42.46 42.59 1p84 s ILE 52 CO 0.12 0.10 1.25 -0.94 -1.91 0.00 0.00 174.94 173.56 1p84 s SER 53 N 1.20 3.78 0.48 4.50 1.04 -0.34 -2.08 113.70 122.27 1p84 s SER 53 Ca -0.08 0.50 0.32 0.00 0.48 0.00 0.00 55.95 57.17 1p84 s SER 53 Cb -0.13 -0.75 1.36 0.00 0.10 0.00 0.00 66.02 66.60 1p84 s SER 53 CO -0.03 -2.34 1.94 -0.55 0.98 0.00 0.00 173.24 173.24 1p84 h ASN 54 N -1.35 0.00 0.53 7.02 7.08 -1.67 -2.42 115.58 124.77 1p84 h ASN 54 Ca -0.45 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.48 1p84 h ASN 54 Cb 1.28 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.49 1p84 h ASN 54 CO 0.51 0.00 -1.56 0.58 -2.08 0.00 0.00 177.43 174.88 1p84 h VAL 55 N 0.00 1.06 0.00 6.14 2.07 -1.87 -3.39 116.25 120.26 1p84 h VAL 55 Ca 0.00 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.70 1p84 h VAL 55 Cb 0.41 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1p84 h VAL 55 CO 0.00 0.71 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1p84 n GLY 56 N 1.60 1.65 3.75 2.17 0.00 -0.91 -5.12 105.19 108.33 1p84 n GLY 56 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1p84 n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p84 s ASP 57 N -2.00 7.18 0.17 1.61 -0.00 -1.26 -4.77 116.67 117.60 1p84 s ASP 57 Ca 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 52.55 53.96 1p84 s ASP 57 Cb 0.00 -2.45 -0.04 0.00 -0.00 0.00 0.00 42.92 40.43 1p84 s ASP 57 CO 0.00 0.07 0.34 0.20 -0.00 0.00 0.00 175.17 175.78 1p84 s ASN 58 N -0.26 6.37 -0.29 0.27 0.02 -1.26 -1.20 114.94 118.59 1p84 s ASN 58 Ca 0.36 0.32 -0.01 0.00 -1.02 0.00 0.00 52.86 52.51 1p84 s ASN 58 Cb -0.20 -1.98 0.18 0.00 0.02 0.00 0.00 41.25 39.27 1p84 s ASN 58 CO 0.22 0.00 0.57 0.21 0.02 0.00 0.00 177.10 178.12 1p84 s ASN 59 N -3.13 -1.17 0.41 -1.22 3.04 -1.09 -5.01 114.94 106.77 1p84 s ASN 59 Ca 0.37 0.79 0.08 0.00 0.04 0.00 0.00 52.86 54.13 1p84 s ASN 59 Cb -0.11 2.02 -0.04 0.00 -1.54 0.00 0.00 41.25 41.58 1p84 s ASN 59 CO 0.29 -0.27 0.24 -0.31 -3.04 0.00 0.00 177.10 174.01 1p84 s TYR 60 N 2.82 2.65 -0.05 0.43 2.02 -1.26 -0.96 117.35 123.01 1p84 s TYR 60 Ca 0.20 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 56.07 1p84 s TYR 60 Cb -0.15 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1p84 s TYR 60 CO -0.20 0.10 0.97 1.21 -1.57 0.00 0.00 175.55 176.05 1p84 s ASN 61 N -3.97 7.29 0.59 2.29 3.04 -0.37 -4.88 114.94 118.92 1p84 s ASN 61 Ca 0.43 1.57 0.28 0.00 0.04 0.00 0.00 52.86 55.18 1p84 s ASN 61 Cb 0.01 -2.55 1.55 0.00 -1.54 0.00 0.00 41.25 38.72 1p84 s ASN 61 CO 0.24 -0.32 1.99 1.55 -3.04 0.00 0.00 177.10 177.53 1p84 h PRO 62 N 6.92 0.00 0.00 0.43 0.13 -1.95 0.23 132.00 137.75 1p84 h PRO 62 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1p84 h PRO 62 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1p84 h PRO 62 CO 0.79 0.00 -0.02 1.03 -0.23 0.00 0.00 178.00 179.57 1p84 h SER 63 N 0.00 0.00 0.00 1.44 0.87 -1.97 -3.27 113.55 110.63 1p84 h SER 63 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1p84 h SER 63 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1p84 h SER 63 CO -0.00 0.02 -0.02 0.18 -0.53 0.00 0.00 176.83 176.48 1p84 n LEU 64 N -3.77 0.00 -0.26 2.23 4.77 -0.15 -4.93 117.00 114.90 1p84 n LEU 64 Ca -0.03 -0.18 0.23 0.00 -0.03 0.00 0.00 56.01 56.01 1p84 n LEU 64 Cb 0.10 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.59 1p84 n LEU 64 CO 0.27 0.00 0.71 2.29 -1.33 0.00 0.00 177.39 179.34 1p84 n LYS 65 N -0.38 -0.03 0.00 3.23 2.85 0.62 0.06 118.16 124.51 1p84 n LYS 65 Ca 0.00 0.80 0.15 0.00 -1.05 0.00 0.00 58.31 58.21 1p84 n LYS 65 Cb 0.00 -1.52 0.80 0.00 -0.65 0.00 0.00 35.03 33.66 1p84 n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1p84 n ASP 66 N -4.08 0.04 -0.04 -5.58 5.75 -1.26 -4.33 116.55 107.05 1p84 n ASP 66 Ca 0.24 -0.40 -0.08 0.00 -0.01 0.00 0.00 54.79 54.54 1p84 n ASP 66 Cb 0.90 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.77 1p84 n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1p84 n ARG 67 N -1.18 0.20 -1.27 0.11 1.74 0.11 -5.06 116.66 111.31 1p84 n ARG 67 Ca 0.17 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 57.03 1p84 n ARG 67 Cb 0.21 -0.83 0.11 0.00 -1.02 0.00 0.00 32.46 30.92 1p84 n ARG 67 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1p84 s LEU 68 N -6.72 2.74 -0.22 0.55 0.05 -1.19 -3.48 118.68 110.41 1p84 s LEU 68 Ca -0.12 1.67 -0.06 0.00 0.05 0.00 0.00 54.13 55.67 1p84 s LEU 68 Cb 0.04 -4.28 0.11 0.00 -2.05 0.00 0.00 46.19 40.01 1p84 s LEU 68 CO 0.16 -2.22 0.44 -0.55 -0.55 0.00 0.00 176.35 173.63 1p84 s SER 69 N -3.45 -0.28 -0.29 1.48 0.15 -0.62 -4.96 113.70 105.74 1p84 s SER 69 Ca 0.62 0.87 -0.06 0.00 0.70 0.00 0.00 55.95 58.08 1p84 s SER 69 Cb -0.17 1.42 0.02 0.00 -1.71 0.00 0.00 66.02 65.57 1p84 s SER 69 CO 0.56 -0.25 0.06 -0.63 1.20 0.00 0.00 173.24 174.18 1p84 s ILE 70 N 2.63 3.74 0.47 6.45 1.01 -1.26 -1.85 121.20 132.39 1p84 s ILE 70 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1p84 s ILE 70 Cb -0.13 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 1p84 s ILE 70 CO -0.14 0.07 0.02 0.35 0.00 0.00 0.00 174.94 175.24 1p84 n THR 71 N 4.82 0.00 -4.05 2.92 -2.24 -1.09 -4.92 114.28 109.73 1p84 n THR 71 Ca -0.15 -2.27 -0.12 0.00 -2.27 0.00 0.00 64.05 59.25 1p84 n THR 71 Cb 0.47 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 1p84 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p84 s ARG 72 N -3.70 1.73 -0.33 -0.78 1.70 -1.26 0.23 118.95 116.54 1p84 s ARG 72 Ca 0.02 -1.55 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 1p84 s ARG 72 Cb 0.00 0.45 0.14 0.00 -0.57 0.00 0.00 34.95 34.97 1p84 s ARG 72 CO 0.02 -0.72 0.28 0.34 -1.08 0.00 0.00 175.30 174.14 1p84 s ASP 73 N -3.14 2.12 0.31 -2.89 3.68 -0.03 -4.98 116.67 111.74 1p84 s ASP 73 Ca 0.28 -1.49 0.08 0.00 2.13 0.00 0.00 52.55 53.55 1p84 s ASP 73 Cb -0.00 0.16 0.84 0.00 -1.45 0.00 0.00 42.92 42.48 1p84 s ASP 73 CO 0.15 -0.33 1.74 0.74 0.13 0.00 0.00 175.17 177.60 1p84 h THR 74 N 5.55 0.58 -0.31 1.71 2.02 -1.97 0.14 112.91 120.63 1p84 h THR 74 Ca -0.03 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1p84 h THR 74 Cb 1.03 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1p84 h THR 74 CO 0.29 0.11 0.16 0.28 0.37 0.00 0.00 175.52 176.73 1p84 h SER 75 N 0.63 0.23 0.27 4.18 0.02 -1.96 -2.89 113.55 114.03 1p84 h SER 75 Ca 0.63 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1p84 h SER 75 Cb 1.14 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1p84 h SER 75 CO -0.45 0.17 -0.54 0.29 -1.14 0.00 0.00 176.83 175.17 1p84 n LYS 76 N -4.95 0.35 -3.12 3.45 5.02 -0.87 -5.00 118.16 113.04 1p84 n LYS 76 Ca -0.01 -0.24 -0.06 0.00 -2.02 0.00 0.00 58.31 55.99 1p84 n LYS 76 Cb 0.07 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1p84 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1p84 n ASN 77 N -1.12 -7.31 -3.61 4.39 4.05 0.44 -4.81 115.26 107.29 1p84 n ASN 77 Ca 0.07 -0.32 -0.15 0.00 0.45 0.00 0.00 54.58 54.64 1p84 n ASN 77 Cb 0.35 -5.23 -0.07 0.00 1.23 0.00 0.00 39.78 36.06 1p84 n ASN 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p84 s GLN 78 N -3.54 0.86 0.16 1.20 -2.07 -1.16 -1.91 119.66 113.21 1p84 s GLN 78 Ca 0.18 0.70 0.09 0.00 -1.82 0.00 0.00 55.36 54.51 1p84 s GLN 78 Cb -0.02 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1p84 s GLN 78 CO 0.74 -0.16 -0.13 -0.59 -1.32 0.00 0.00 175.29 173.83 1p84 s PHE 79 N -0.14 2.58 0.26 9.60 -0.00 -0.75 -0.86 117.98 128.68 1p84 s PHE 79 Ca -0.04 -0.24 0.10 0.00 -0.00 0.00 0.00 56.93 56.75 1p84 s PHE 79 Cb -0.03 -1.29 -0.05 0.00 -0.00 0.00 0.00 43.02 41.64 1p84 s PHE 79 CO 0.04 0.48 -0.16 -0.06 -0.00 0.00 0.00 175.22 175.51 1p84 s PHE 80 N -1.56 2.08 -0.01 3.49 0.40 0.14 -1.10 117.98 121.41 1p84 s PHE 80 Ca 0.23 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1p84 s PHE 80 Cb -0.09 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 1p84 s PHE 80 CO 0.13 0.56 -0.26 -1.17 0.70 0.00 0.00 175.22 175.19 1p84 s LEU 81 N -3.45 2.09 -0.33 -0.37 2.96 0.15 -2.65 118.68 117.08 1p84 s LEU 81 Ca 0.28 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1p84 s LEU 81 Cb -0.02 -1.34 0.14 0.00 0.50 0.00 0.00 46.19 45.46 1p84 s LEU 81 CO 0.12 0.31 0.28 -0.75 -1.32 0.00 0.00 176.35 174.99 1p84 s LYS 82 N -0.71 0.45 -0.48 1.98 2.20 -0.77 -1.76 119.74 120.64 1p84 s LYS 82 Ca 0.10 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 54.85 1p84 s LYS 82 Cb -0.10 -0.89 0.05 0.00 -1.51 0.00 0.00 37.83 35.38 1p84 s LYS 82 CO -0.00 -1.12 0.58 -1.17 -0.36 0.00 0.00 175.35 173.27 1p84 s LEU 83 N 1.75 4.96 0.57 5.43 2.96 -0.38 -1.58 118.68 132.40 1p84 s LEU 83 Ca 0.14 -0.85 -0.16 0.00 -0.22 0.00 0.00 54.13 53.03 1p84 s LEU 83 Cb -0.17 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 1p84 s LEU 83 CO -0.17 -0.81 1.05 0.20 -1.32 0.00 0.00 176.35 175.30 1p84 s ASN 84 N 2.47 5.92 -1.15 3.68 0.01 -1.23 -1.46 114.94 123.18 1p84 s ASN 84 Ca 0.14 1.82 -0.29 0.00 -0.71 0.00 0.00 52.86 53.82 1p84 s ASN 84 Cb -0.19 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 38.97 1p84 s ASN 84 CO 0.12 -1.07 0.68 -1.54 -1.51 0.00 0.00 177.10 173.78 1p84 n SER 85 N -1.84 -4.32 -4.72 -1.22 3.41 -0.97 -4.90 113.62 99.06 1p84 n SER 85 Ca 0.09 -1.24 -0.34 0.00 -0.26 0.00 0.00 58.87 57.12 1p84 n SER 85 Cb 0.53 -1.74 0.10 0.00 -0.26 0.00 0.00 64.21 62.84 1p84 n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1p84 s VAL 86 N -3.44 2.23 0.31 -3.33 -7.23 -0.51 -4.62 120.40 103.81 1p84 s VAL 86 Ca 0.42 0.11 0.03 0.00 -1.81 0.00 0.00 61.98 60.72 1p84 s VAL 86 Cb -0.23 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1p84 s VAL 86 CO 0.96 -0.06 0.11 -0.89 -0.31 0.00 0.00 175.10 174.90 1p84 s THR 87 N -2.01 0.66 -0.46 5.32 2.01 -1.26 -1.72 115.64 118.17 1p84 s THR 87 Ca 0.74 -2.00 0.17 0.00 0.31 0.00 0.00 61.69 60.92 1p84 s THR 87 Cb -0.29 -2.59 0.18 0.00 0.01 0.00 0.00 72.50 69.80 1p84 s THR 87 CO 0.47 0.00 1.53 0.35 -0.69 0.00 0.00 174.62 176.28 1p84 n THR 88 N -0.63 1.18 -0.14 -0.82 -2.24 -1.26 -1.42 114.28 108.95 1p84 n THR 88 Ca -0.01 0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 62.22 1p84 n THR 88 Cb 0.66 -1.54 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 1p84 n THR 88 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1p84 h GLU 89 N 0.00 0.76 -0.89 -0.78 3.07 -1.95 -3.15 114.58 111.65 1p84 h GLU 89 Ca 0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1p84 h GLU 89 Cb 0.09 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1p84 h GLU 89 CO 0.00 0.87 0.00 -0.25 -1.40 0.00 0.00 179.01 178.23 1p84 n ASP 90 N -4.37 1.03 -4.51 1.42 10.43 -0.51 -4.75 116.55 115.29 1p84 n ASP 90 Ca -0.01 -1.19 -0.43 0.00 2.57 0.00 0.00 54.79 55.73 1p84 n ASP 90 Cb 0.33 -0.30 -0.08 0.00 1.84 0.00 0.00 41.12 42.91 1p84 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1p84 s THR 91 N -0.49 4.97 0.02 -3.53 2.01 -1.19 -4.76 115.64 112.66 1p84 s THR 91 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 1p84 s THR 91 Cb 0.00 -4.09 0.11 0.00 0.01 0.00 0.00 72.50 68.53 1p84 s THR 91 CO 0.00 -0.46 1.23 0.00 -0.69 0.00 0.00 174.62 174.70 1p84 s ALA 92 N 2.47 -2.14 -0.18 7.40 0.00 -1.09 -4.52 121.76 123.69 1p84 s ALA 92 Ca 0.18 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 1p84 s ALA 92 Cb -0.16 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1p84 s ALA 92 CO 0.16 -1.06 0.69 0.95 0.00 0.00 0.00 175.76 176.50 1p84 s THR 93 N -2.54 4.98 0.03 0.00 -4.23 -1.02 -2.33 115.64 110.53 1p84 s THR 93 Ca 0.15 1.33 -0.09 0.00 -1.18 0.00 0.00 61.69 61.89 1p84 s THR 93 Cb 0.04 -4.00 -0.05 0.00 1.34 0.00 0.00 72.50 69.82 1p84 s THR 93 CO -0.03 0.09 0.33 -0.31 -0.54 0.00 0.00 174.62 174.17 1p84 s TYR 94 N 1.92 3.60 0.06 3.99 1.51 0.51 0.05 117.35 128.99 1p84 s TYR 94 Ca 0.32 0.71 0.06 0.00 -1.01 0.00 0.00 57.07 57.14 1p84 s TYR 94 Cb -0.16 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1p84 s TYR 94 CO 0.11 0.59 -0.15 0.71 -1.11 0.00 0.00 175.55 175.70 1p84 s TYR 95 N -1.29 1.34 -0.06 2.71 2.02 0.16 -0.82 117.35 121.42 1p84 s TYR 95 Ca 0.28 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1p84 s TYR 95 Cb -0.14 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1p84 s TYR 95 CO 0.16 0.07 -0.21 0.00 -1.57 0.00 0.00 175.55 174.00 1p84 s ALA 97 N -0.37 -0.87 -0.13 0.00 0.00 -0.17 -0.04 121.76 120.18 1p84 s ALA 97 Ca 0.03 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 1p84 s ALA 97 Cb -0.12 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1p84 s ALA 97 CO 0.02 -0.43 0.11 0.50 0.00 0.00 0.00 175.76 175.96 1p84 s ARG 98 N -2.43 3.49 -0.07 0.00 3.52 -0.04 0.60 118.95 124.02 1p84 s ARG 98 Ca -0.06 -0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.39 1p84 s ARG 98 Cb -0.01 -3.15 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1p84 s ARG 98 CO -0.02 0.67 -0.23 -1.54 -0.81 0.00 0.00 175.30 173.37 1p84 s SER 99 N -0.74 2.87 0.55 -2.12 1.04 0.30 -1.55 113.70 114.05 1p84 s SER 99 Ca 0.13 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 1p84 s SER 99 Cb -0.12 -1.05 -0.01 0.00 0.10 0.00 0.00 66.02 64.95 1p84 s SER 99 CO 0.03 0.18 0.85 -1.61 0.98 0.00 0.00 173.24 173.66 1p84 s GLU 100 N 0.13 3.11 -0.09 4.02 2.02 0.60 -2.08 118.70 126.41 1p84 s GLU 100 Ca -0.11 0.00 -0.03 0.00 0.02 0.00 0.00 54.97 54.85 1p84 s GLU 100 Cb -0.15 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.79 1p84 s GLU 100 CO 0.06 -0.52 0.10 -0.47 0.02 0.00 0.00 175.26 174.45 1p84 s TYR 101 N -2.88 0.01 -0.10 1.61 6.14 -1.26 -2.44 117.35 118.43 1p84 s TYR 101 Ca 0.52 0.23 0.04 0.00 0.64 0.00 0.00 57.07 58.49 1p84 s TYR 101 Cb -0.10 -0.46 0.00 0.00 0.42 0.00 0.00 41.96 41.82 1p84 s TYR 101 CO 0.44 -0.31 -0.22 0.71 0.64 0.00 0.00 175.55 176.82 1p84 s TYR 102 N 2.21 2.40 0.66 4.97 2.02 -1.19 -5.01 117.35 123.40 1p84 s TYR 102 Ca 0.04 -1.00 0.31 0.00 -0.37 0.00 0.00 57.07 56.05 1p84 s TYR 102 Cb -0.13 -1.62 1.70 0.00 -0.40 0.00 0.00 41.96 41.51 1p84 s TYR 102 CO -0.06 -0.42 1.96 0.66 -1.57 0.00 0.00 175.55 176.13 1p84 h SER 103 N 6.82 0.00 0.02 2.29 4.64 -2.00 0.21 113.55 125.53 1p84 h SER 103 Ca -0.22 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.72 1p84 h SER 103 Cb 1.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1p84 h SER 103 CO 0.48 0.00 -2.17 0.52 -0.87 0.00 0.00 176.83 174.78 1p84 n VAL 104 N -2.94 1.56 1.16 0.95 0.31 -1.26 -4.52 118.33 113.59 1p84 n VAL 104 Ca -0.02 -0.39 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1p84 n VAL 104 Cb 0.36 -1.79 0.28 0.00 -0.91 0.00 0.00 33.84 31.79 1p84 n VAL 104 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1p84 n THR 105 N -3.95 0.00 -4.44 2.52 -2.24 -1.12 -5.07 114.28 99.98 1p84 n THR 105 Ca -0.45 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1p84 n THR 105 Cb 0.89 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1p84 n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p84 n GLY 106 N 1.38 -0.72 3.81 3.38 0.00 0.74 -4.90 105.19 108.88 1p84 n GLY 106 Ca 0.10 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1p84 n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p84 s TYR 107 N 0.00 2.96 -0.29 1.61 1.51 -1.26 -3.18 117.35 118.70 1p84 s TYR 107 Ca 0.00 1.31 -0.17 0.00 -1.01 0.00 0.00 57.07 57.20 1p84 s TYR 107 Cb 0.00 -2.99 0.17 0.00 -0.11 0.00 0.00 41.96 39.03 1p84 s TYR 107 CO 0.00 -1.49 1.13 0.00 -1.11 0.00 0.00 175.55 174.08 1p84 s ALA 108 N -3.08 -2.40 -0.47 3.71 0.00 -1.02 -4.95 121.76 113.55 1p84 s ALA 108 Ca 0.59 2.05 -0.19 0.00 0.00 0.00 0.00 51.96 54.41 1p84 s ALA 108 Cb -0.14 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1p84 s ALA 108 CO 0.55 -0.30 0.60 -1.64 0.00 0.00 0.00 175.76 174.96 1p84 s MET 109 N 1.03 3.17 -0.11 0.00 -1.94 -1.26 -0.29 119.30 119.90 1p84 s MET 109 Ca -0.06 -0.68 0.19 0.00 -1.71 0.00 0.00 55.69 53.43 1p84 s MET 109 Cb -0.03 -4.02 -0.26 0.00 2.01 0.00 0.00 34.83 32.53 1p84 s MET 109 CO -0.12 -1.08 0.30 -0.40 -0.01 0.00 0.00 175.02 173.71 1p84 n ASP 110 N 6.11 0.14 -4.11 3.03 5.75 -0.59 -4.88 116.55 121.99 1p84 n ASP 110 Ca -0.05 0.06 -0.33 0.00 -0.01 0.00 0.00 54.79 54.47 1p84 n ASP 110 Cb 0.47 1.13 -0.15 0.00 -1.03 0.00 0.00 41.12 41.54 1p84 n ASP 110 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1p84 s TYR 111 N -2.83 3.07 0.12 2.11 1.51 -1.22 -5.01 117.35 115.10 1p84 s TYR 111 Ca -0.08 -1.98 0.05 0.00 -1.01 0.00 0.00 57.07 54.04 1p84 s TYR 111 Cb 0.09 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1p84 s TYR 111 CO 0.85 -0.83 0.04 -1.58 -1.11 0.00 0.00 175.55 172.92 1p84 s TRP 112 N 1.20 3.03 0.68 2.71 0.52 -1.26 -0.86 118.94 124.96 1p84 s TRP 112 Ca -0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.01 1p84 s TRP 112 Cb -0.17 -1.52 0.05 0.00 -1.15 0.00 0.00 33.47 30.68 1p84 s TRP 112 CO -0.08 0.50 0.98 0.20 0.02 0.00 0.00 176.95 178.58 1p84 s GLY 113 N -2.60 1.69 0.24 0.98 0.00 0.95 -4.57 107.32 104.00 1p84 s GLY 113 Ca 0.28 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 1p84 s GLY 113 CO 0.20 -0.56 1.89 0.06 0.00 0.00 0.00 173.10 174.70 1p84 h GLN 114 N -0.50 1.12 0.00 2.90 3.07 -1.89 -3.45 115.11 116.37 1p84 h GLN 114 Ca -0.44 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.23 1p84 h GLN 114 Cb 1.31 -0.25 0.00 0.00 0.08 0.00 0.00 27.48 28.62 1p84 h GLN 114 CO 0.60 0.74 0.00 0.41 0.09 0.00 0.00 178.83 180.67 1p84 n GLY 115 N -1.34 1.73 3.39 0.06 0.00 -1.26 -5.06 105.19 102.70 1p84 n GLY 115 Ca 0.11 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1p84 n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1p84 s THR 116 N 0.00 4.30 -0.30 2.61 -1.32 -0.00 -4.92 115.64 116.01 1p84 s THR 116 Ca 0.00 -0.59 -0.28 0.00 -1.21 0.00 0.00 61.69 59.61 1p84 s THR 116 Cb 0.00 -3.22 0.01 0.00 -1.51 0.00 0.00 72.50 67.78 1p84 s THR 116 CO 0.00 0.05 1.00 -0.89 -2.21 0.00 0.00 174.62 172.56 1p84 s THR 117 N 1.55 4.61 0.00 5.08 2.01 -1.26 -0.36 115.64 127.27 1p84 s THR 117 Ca 0.03 1.65 0.07 0.00 0.31 0.00 0.00 61.69 63.76 1p84 s THR 117 Cb -0.17 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 1p84 s THR 117 CO 0.04 -0.37 -0.22 0.68 -0.69 0.00 0.00 174.62 174.06 1p84 s VAL 118 N 3.41 2.46 -0.08 3.82 -7.23 -0.98 -4.67 120.40 117.12 1p84 s VAL 118 Ca 0.42 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.50 1p84 s VAL 118 Cb -0.13 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.87 1p84 s VAL 118 CO 0.13 0.47 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.34 1p84 s THR 119 N -0.76 1.47 -0.99 5.32 2.01 -1.19 -2.67 115.64 118.83 1p84 s THR 119 Ca 0.12 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 1p84 s THR 119 Cb -0.10 -1.31 0.15 0.00 0.01 0.00 0.00 72.50 71.25 1p84 s THR 119 CO 0.02 0.43 1.16 -0.69 -0.69 0.00 0.00 174.62 174.85 1p84 s VAL 120 N 0.58 4.94 0.21 3.82 1.01 -1.26 -2.31 120.40 127.39 1p84 s VAL 120 Ca -0.16 -1.99 0.11 0.00 0.00 0.00 0.00 61.98 59.94 1p84 s VAL 120 Cb -0.16 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.40 1p84 s VAL 120 CO 0.05 -1.47 -0.17 -0.55 0.00 0.00 0.00 175.10 172.96 1p84 s SER 121 N 3.21 3.81 0.00 3.32 0.15 -1.00 -4.70 113.70 118.48 1p84 s SER 121 Ca 0.33 -0.80 0.28 0.00 0.70 0.00 0.00 55.95 56.46 1p84 s SER 121 Cb -0.05 -0.45 0.99 0.00 -1.71 0.00 0.00 66.02 64.80 1p84 s SER 121 CO -0.07 0.09 1.71 -0.24 1.20 0.00 0.00 173.24 175.93 1p84 n SER 122 N -0.09 1.28 -4.47 5.45 2.88 -1.26 -3.87 113.62 113.53 1p84 n SER 122 Ca -0.10 -1.27 -0.28 0.00 -1.33 0.00 0.00 58.87 55.89 1p84 n SER 122 Cb 0.57 0.04 0.26 0.00 -0.75 0.00 0.00 64.21 64.33 1p84 n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p84 n ALA 123 N -0.15 -2.95 -2.65 -1.46 0.00 -1.26 -5.03 120.51 107.00 1p84 n ALA 123 Ca 0.17 -1.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.08 1p84 n ALA 123 Cb 0.34 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 1p84 n ALA 123 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1p84 s TRP 124 N -2.40 3.03 0.01 0.00 -0.00 -1.26 -4.93 118.94 113.38 1p84 s TRP 124 Ca 0.69 0.06 -0.07 0.00 -0.00 0.00 0.00 56.10 56.78 1p84 s TRP 124 Cb -0.26 -1.67 -0.00 0.00 -0.00 0.00 0.00 33.47 31.54 1p84 s TRP 124 CO 0.65 0.43 0.12 0.50 -0.00 0.00 0.00 176.95 178.65 1p84 s ARG 125 N -1.42 0.50 -0.26 5.86 3.52 -1.26 -5.13 118.95 120.76 1p84 s ARG 125 Ca 0.18 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.00 1p84 s ARG 125 Cb -0.11 0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1p84 s ARG 125 CO 0.08 -0.12 1.25 -1.58 -0.81 0.00 0.00 175.30 174.13 1p84 s HIS 126 N -1.67 2.81 -2.00 5.12 5.65 -1.26 -5.24 115.29 118.70 1p84 s HIS 126 Ca -0.13 0.97 0.16 0.00 0.25 0.00 0.00 55.06 56.32 1p84 s HIS 126 Cb -0.06 -3.74 0.97 0.00 -1.18 0.00 0.00 32.58 28.57 1p84 s HIS 126 CO 0.00 -1.55 1.38 -0.35 -0.65 0.00 0.00 174.74 173.56