#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eeq s ILE 2 N 0.00 4.93 -0.11 0.53 1.01 -1.26 -4.96 121.20 121.33 1eeq s ILE 2 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1eeq s ILE 2 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1eeq s ILE 2 CO 0.00 0.16 -0.12 -0.69 0.00 0.00 0.00 174.94 174.29 1eeq s VAL 3 N 1.18 3.18 -0.16 2.92 1.01 -1.26 -4.74 120.40 122.54 1eeq s VAL 3 Ca 0.44 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1eeq s VAL 3 Cb -0.19 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1eeq s VAL 3 CO 0.21 0.54 -0.00 -0.76 0.00 0.00 0.00 175.10 175.09 1eeq s LEU 4 N 0.09 3.47 -0.17 3.92 1.43 -1.26 -1.20 118.68 124.97 1eeq s LEU 4 Ca -0.05 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1eeq s LEU 4 Cb -0.15 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1eeq s LEU 4 CO 0.04 0.19 -0.19 -0.89 0.23 0.00 0.00 176.35 175.74 1eeq s THR 5 N 0.23 1.96 0.26 5.49 2.01 0.04 -4.19 115.64 121.44 1eeq s THR 5 Ca -0.00 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1eeq s THR 5 Cb -0.13 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1eeq s THR 5 CO 0.02 0.52 0.43 -1.10 -0.69 0.00 0.00 174.62 173.81 1eeq s GLN 6 N 1.31 3.48 -0.24 4.92 -0.21 -1.26 -0.68 119.66 126.98 1eeq s GLN 6 Ca 0.04 -0.46 -0.19 0.00 0.02 0.00 0.00 55.36 54.77 1eeq s GLN 6 Cb -0.13 -2.80 0.07 0.00 1.00 0.00 0.00 33.01 31.15 1eeq s GLN 6 CO -0.12 0.33 0.63 -1.54 -2.12 0.00 0.00 175.29 172.47 1eeq s SER 7 N -3.69 -0.73 1.03 5.90 1.04 -0.41 -4.63 113.70 112.20 1eeq s SER 7 Ca 0.38 1.32 -0.16 0.00 0.48 0.00 0.00 55.95 57.96 1eeq s SER 7 Cb -0.10 1.28 0.22 0.00 0.10 0.00 0.00 66.02 67.53 1eeq s SER 7 CO 0.31 -0.22 1.24 -0.81 0.98 0.00 0.00 173.24 174.74 1eeq n PRO 8 N 3.32 -1.46 0.07 4.02 -0.04 -1.26 -0.67 135.00 138.99 1eeq n PRO 8 Ca -0.16 -1.93 -0.05 0.00 -0.04 0.00 0.00 63.50 61.32 1eeq n PRO 8 Cb 0.56 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1eeq n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1eeq h ASP 9 N -1.79 0.00 -4.13 3.54 3.32 -1.86 -3.43 116.42 112.07 1eeq h ASP 9 Ca -0.41 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.48 1eeq h ASP 9 Cb 1.14 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.44 1eeq h ASP 9 CO 0.29 0.86 -0.47 -0.94 -1.72 0.00 0.00 179.24 177.26 1eeq s SER 10 N -6.59 -0.16 -0.04 6.45 1.04 -1.26 -1.28 113.70 111.86 1eeq s SER 10 Ca 0.01 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1eeq s SER 10 Cb 0.09 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1eeq s SER 10 CO 0.80 -0.16 -0.01 -0.22 0.98 0.00 0.00 173.24 174.64 1eeq s LEU 11 N -0.29 1.06 -0.25 2.42 2.96 0.82 -4.92 118.68 120.48 1eeq s LEU 11 Ca -0.04 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1eeq s LEU 11 Cb -0.03 -0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.34 1eeq s LEU 11 CO 0.01 -0.11 0.02 0.00 -1.32 0.00 0.00 176.35 174.95 1eeq s ALA 12 N 1.21 2.97 -0.02 5.97 0.00 -1.26 -0.75 121.76 129.89 1eeq s ALA 12 Ca -0.07 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.68 1eeq s ALA 12 Cb -0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1eeq s ALA 12 CO -0.02 -0.60 -0.12 0.08 0.00 0.00 0.00 175.76 175.10 1eeq s VAL 13 N 1.51 0.98 0.58 0.00 1.01 -0.55 -4.72 120.40 119.22 1eeq s VAL 13 Ca 0.05 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1eeq s VAL 13 Cb -0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1eeq s VAL 13 CO 0.00 0.28 1.24 -0.44 0.00 0.00 0.00 175.10 176.19 1eeq s SER 14 N -0.15 5.24 0.31 3.32 0.01 -1.26 -2.21 113.70 118.96 1eeq s SER 14 Ca 0.02 2.48 -0.29 0.00 1.31 0.00 0.00 55.95 59.47 1eeq s SER 14 Cb -0.06 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.44 1eeq s SER 14 CO -0.00 -1.57 1.50 -0.11 0.41 0.00 0.00 173.24 173.47 1eeq n LEU 15 N -1.40 4.15 0.00 2.44 7.94 -1.26 -1.78 117.00 127.09 1eeq n LEU 15 Ca 0.13 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 1eeq n LEU 15 Cb 0.48 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1eeq n LEU 15 CO 0.47 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 1eeq n GLY 16 N 1.53 2.52 3.92 -3.96 0.00 0.10 -4.92 105.19 104.38 1eeq n GLY 16 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1eeq n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1eeq s GLU 17 N -0.16 2.21 0.06 1.61 0.41 -0.73 -4.10 118.70 117.99 1eeq s GLU 17 Ca 0.00 -0.16 -0.19 0.00 -0.41 0.00 0.00 54.97 54.21 1eeq s GLU 17 Cb 0.00 -2.13 -0.07 0.00 -1.78 0.00 0.00 34.13 30.15 1eeq s GLU 17 CO 0.00 -1.27 0.57 0.50 -0.49 0.00 0.00 175.26 174.57 1eeq s ARG 18 N -5.30 4.20 -0.10 1.61 3.52 -1.23 -0.15 118.95 121.51 1eeq s ARG 18 Ca 0.60 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.95 1eeq s ARG 18 Cb -0.11 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1eeq s ARG 18 CO 0.46 0.62 -0.15 0.00 -0.81 0.00 0.00 175.30 175.41 1eeq s ALA 19 N -1.02 2.55 -0.12 6.12 0.00 -0.52 -4.97 121.76 123.81 1eeq s ALA 19 Ca 0.29 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1eeq s ALA 19 Cb -0.19 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1eeq s ALA 19 CO 0.19 0.35 -0.12 0.99 0.00 0.00 0.00 175.76 177.17 1eeq s THR 20 N 0.02 1.31 -0.07 0.00 2.01 -1.26 -1.06 115.64 116.59 1eeq s THR 20 Ca -0.05 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1eeq s THR 20 Cb -0.15 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1eeq s THR 20 CO 0.04 0.41 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.52 1eeq s ILE 21 N 1.34 1.94 0.13 1.82 1.01 -0.32 -4.77 121.20 122.35 1eeq s ILE 21 Ca -0.00 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1eeq s ILE 21 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1eeq s ILE 21 CO -0.06 0.54 0.10 0.20 0.00 0.00 0.00 174.94 175.73 1eeq s ASN 22 N 0.04 5.47 -0.04 3.58 0.01 0.16 -0.50 114.94 123.67 1eeq s ASN 22 Ca -0.09 -0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1eeq s ASN 22 Cb -0.15 -1.43 0.03 0.00 0.41 0.00 0.00 41.25 40.11 1eeq s ASN 22 CO 0.05 0.11 0.07 0.00 -1.51 0.00 0.00 177.10 175.83 1eeq s LYS 24 N 1.84 3.24 -0.01 0.00 -0.14 0.14 -1.03 119.74 123.77 1eeq s LYS 24 Ca 0.00 -0.76 -0.06 0.00 -1.36 0.00 0.00 55.97 53.80 1eeq s LYS 24 Cb -0.12 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 1eeq s LYS 24 CO -0.04 0.14 0.23 -1.54 -0.76 0.00 0.00 175.35 173.38 1eeq s SER 25 N 0.51 6.45 0.50 2.83 1.04 0.27 -0.78 113.70 124.52 1eeq s SER 25 Ca -0.11 0.49 0.28 0.00 0.48 0.00 0.00 55.95 57.09 1eeq s SER 25 Cb -0.16 -2.06 1.27 0.00 0.10 0.00 0.00 66.02 65.16 1eeq s SER 25 CO 0.05 0.28 1.97 0.77 0.98 0.00 0.00 173.24 177.28 1eeq h SER 26 N 4.08 0.00 -4.52 7.02 4.64 -1.48 -3.44 113.55 119.85 1eeq h SER 26 Ca -0.50 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.55 1eeq h SER 26 Cb 1.20 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1eeq h SER 26 CO 0.66 0.13 -0.73 -1.58 -0.87 0.00 0.00 176.83 174.44 1eeq s GLN 27 N -3.84 0.42 0.37 4.77 0.74 -1.26 -4.99 119.66 115.87 1eeq s GLN 27 Ca -0.01 -0.53 -0.28 0.00 0.05 0.00 0.00 55.36 54.59 1eeq s GLN 27 Cb 0.11 -0.22 -0.11 0.00 1.10 0.00 0.00 33.01 33.89 1eeq s GLN 27 CO 0.59 0.04 1.48 0.45 -0.55 0.00 0.00 175.29 177.30 1eeq n SER 27 N 1.97 3.73 -0.67 6.67 2.88 -1.26 -4.77 113.62 122.17 1eeq n SER 27 Ca -0.20 1.22 0.09 0.00 -1.33 0.00 0.00 58.87 58.65 1eeq n SER 27 Cb 0.56 -1.61 0.22 0.00 -0.75 0.00 0.00 64.21 62.63 1eeq n SER 27 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1eeq n VAL 27 N 0.52 2.19 -3.17 2.46 0.24 -0.50 -4.98 118.33 115.09 1eeq n VAL 27 Ca 0.02 -2.03 -0.40 0.00 -2.04 0.00 0.00 64.34 59.89 1eeq n VAL 27 Cb 0.38 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.44 1eeq n VAL 27 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1eeq s LEU 27 N -2.87 4.14 0.00 1.34 2.96 -1.26 -1.35 118.68 121.65 1eeq s LEU 27 Ca 0.39 0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1eeq s LEU 27 Cb 0.33 -2.81 0.09 0.00 0.50 0.00 0.00 46.19 44.30 1eeq s LEU 27 CO 0.07 -0.24 0.58 -0.67 -1.32 0.00 0.00 176.35 174.77 1eeq n ASP 27 N 4.99 0.48 0.00 3.68 -0.08 0.90 -4.97 116.55 121.55 1eeq n ASP 27 Ca -0.03 -1.48 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 1eeq n ASP 27 Cb 0.50 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.55 1eeq n ASP 27 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1eeq n SER 27 N -3.12 0.00 -0.85 1.67 3.41 -1.26 -0.31 113.62 113.16 1eeq n SER 27 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.79 1eeq n SER 27 Cb 0.31 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.38 1eeq n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1eeq n ASN 28 N 0.00 2.85 -1.25 4.04 0.23 -1.26 -4.98 115.26 114.90 1eeq n ASN 28 Ca 0.00 -1.85 -0.16 0.00 -0.53 0.00 0.00 54.58 52.04 1eeq n ASN 28 Cb 0.00 -0.10 -0.07 0.00 -2.08 0.00 0.00 39.78 37.53 1eeq n ASN 28 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1eeq n SER 29 N 1.12 -5.15 -4.88 0.53 7.64 0.58 -4.98 113.62 108.48 1eeq n SER 29 Ca 0.13 0.40 -0.37 0.00 1.01 0.00 0.00 58.87 60.05 1eeq n SER 29 Cb 0.50 -4.08 -0.06 0.00 -1.01 0.00 0.00 64.21 59.56 1eeq n SER 29 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1eeq s LYS 30 N -3.35 3.52 -0.28 1.43 1.02 -1.20 -4.86 119.74 116.01 1eeq s LYS 30 Ca 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.82 1eeq s LYS 30 Cb 0.00 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1eeq s LYS 30 CO 0.00 0.75 0.17 -0.80 -0.92 0.00 0.00 175.35 174.56 1eeq s ASN 31 N -1.14 5.87 -1.33 2.83 0.01 -1.26 -0.07 114.94 119.85 1eeq s ASN 31 Ca 0.18 -0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 52.13 1eeq s ASN 31 Cb -0.13 -2.09 0.12 0.00 0.41 0.00 0.00 41.25 39.57 1eeq s ASN 31 CO 0.07 -0.06 1.92 -1.22 -1.51 0.00 0.00 177.10 176.30 1eeq n TYR 32 N 5.04 3.49 -4.13 2.20 4.02 -0.45 -3.25 117.16 124.08 1eeq n TYR 32 Ca -0.14 -2.92 -0.18 0.00 -0.01 0.00 0.00 57.90 54.65 1eeq n TYR 32 Cb 0.52 -2.22 -0.15 0.00 -0.02 0.00 0.00 39.34 37.47 1eeq n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1eeq s LEU 33 N 1.11 1.61 0.19 7.72 1.98 -1.26 -1.84 118.68 128.20 1eeq s LEU 33 Ca 0.43 -0.09 0.07 0.00 -2.89 0.00 0.00 54.13 51.65 1eeq s LEU 33 Cb 0.09 -0.33 -0.05 0.00 0.66 0.00 0.00 46.19 46.57 1eeq s LEU 33 CO -0.02 -0.01 -0.14 0.00 -1.89 0.00 0.00 176.35 174.29 1eeq s ALA 34 N 0.45 1.94 -0.03 5.97 0.00 0.25 0.24 121.76 130.58 1eeq s ALA 34 Ca -0.05 -1.62 0.05 0.00 0.00 0.00 0.00 51.96 50.34 1eeq s ALA 34 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1eeq s ALA 34 CO -0.00 0.06 -0.19 -1.58 0.00 0.00 0.00 175.76 174.05 1eeq s TRP 35 N -2.91 1.80 0.16 0.00 0.52 -0.02 -0.68 118.94 117.80 1eeq s TRP 35 Ca 0.21 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 55.95 1eeq s TRP 35 Cb -0.01 -1.19 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 1eeq s TRP 35 CO 0.06 -0.12 -0.18 0.71 0.02 0.00 0.00 176.95 177.44 1eeq s TYR 36 N -0.16 1.79 -0.01 -1.98 1.51 0.92 -0.47 117.35 118.95 1eeq s TYR 36 Ca 0.00 -0.47 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1eeq s TYR 36 Cb -0.10 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1eeq s TYR 36 CO 0.01 0.31 -0.26 -1.14 -1.11 0.00 0.00 175.55 173.36 1eeq s GLN 37 N -2.72 2.06 -0.10 -0.62 0.74 0.07 -0.93 119.66 118.15 1eeq s GLN 37 Ca 0.15 -0.96 -0.04 0.00 0.05 0.00 0.00 55.36 54.55 1eeq s GLN 37 Cb -0.06 -2.04 0.05 0.00 1.10 0.00 0.00 33.01 32.06 1eeq s GLN 37 CO 0.06 0.55 0.21 -1.14 -0.55 0.00 0.00 175.29 174.43 1eeq s GLN 38 N -0.75 0.15 0.22 1.67 0.74 0.87 0.10 119.66 122.66 1eeq s GLN 38 Ca 0.10 0.53 0.06 0.00 0.05 0.00 0.00 55.36 56.11 1eeq s GLN 38 Cb -0.10 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 33.83 1eeq s GLN 38 CO -0.00 -0.20 0.16 0.15 -0.55 0.00 0.00 175.29 174.85 1eeq s LYS 39 N 1.53 2.87 0.20 1.67 1.02 -1.26 -1.15 119.74 124.61 1eeq s LYS 39 Ca -0.06 -1.00 -0.33 0.00 0.02 0.00 0.00 55.97 54.60 1eeq s LYS 39 Cb -0.11 -2.57 -0.14 0.00 -0.52 0.00 0.00 37.83 34.49 1eeq s LYS 39 CO -0.08 0.43 1.38 -2.30 -0.92 0.00 0.00 175.35 173.87 1eeq n PRO 40 N -0.83 1.79 -1.11 -1.68 -0.02 -1.26 -1.82 135.00 130.07 1eeq n PRO 40 Ca -0.08 0.64 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1eeq n PRO 40 Cb 0.57 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1eeq n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eeq n GLY 41 N 2.41 0.60 3.22 -1.23 0.00 -1.26 -5.00 105.19 103.93 1eeq n GLY 41 Ca 0.14 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1eeq n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1eeq s GLN 42 N -1.68 0.98 0.81 1.61 -0.21 -0.76 -5.15 119.66 115.27 1eeq s GLN 42 Ca 0.00 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 54.02 1eeq s GLN 42 Cb 0.00 -0.76 0.08 0.00 1.00 0.00 0.00 33.01 33.33 1eeq s GLN 42 CO 0.00 0.13 1.09 -1.25 -2.12 0.00 0.00 175.29 173.14 1eeq s PRO 43 N -2.87 1.95 0.74 2.91 0.04 -1.26 -4.53 135.00 131.99 1eeq s PRO 43 Ca 0.09 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.75 1eeq s PRO 43 Cb -0.03 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1eeq s PRO 43 CO 0.02 -1.74 1.15 -2.14 0.04 0.00 0.00 177.00 174.33 1eeq s PRO 44 N -5.07 2.19 -0.09 0.56 0.02 -1.26 -4.61 135.00 126.73 1eeq s PRO 44 Ca 0.61 1.54 -0.00 0.00 0.02 0.00 0.00 61.00 63.17 1eeq s PRO 44 Cb -0.15 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.53 1eeq s PRO 44 CO 0.55 -1.75 -0.06 0.21 -0.33 0.00 0.00 177.00 175.61 1eeq s LYS 45 N -4.20 1.29 0.09 5.54 2.47 0.12 -4.94 119.74 120.11 1eeq s LYS 45 Ca 0.69 -0.19 -0.31 0.00 -1.56 0.00 0.00 55.97 54.61 1eeq s LYS 45 Cb -0.24 -1.36 -0.08 0.00 -1.46 0.00 0.00 37.83 34.69 1eeq s LYS 45 CO 0.47 -0.22 1.43 -1.17 0.16 0.00 0.00 175.35 176.03 1eeq s LEU 46 N 1.54 4.36 -0.15 5.43 2.96 -1.26 -0.75 118.68 130.80 1eeq s LEU 46 Ca 0.01 2.32 -0.04 0.00 -0.22 0.00 0.00 54.13 56.19 1eeq s LEU 46 Cb -0.13 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1eeq s LEU 46 CO -0.05 -0.71 -0.17 0.18 -1.32 0.00 0.00 176.35 174.28 1eeq n LEU 47 N 4.46 1.86 -3.93 -0.68 4.77 0.38 -4.79 117.00 119.06 1eeq n LEU 47 Ca 0.12 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1eeq n LEU 47 Cb 0.42 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 1eeq n LEU 47 CO 0.59 0.50 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.15 1eeq s ILE 48 N -2.29 0.15 0.19 -0.08 -1.09 -1.13 -1.34 121.20 115.61 1eeq s ILE 48 Ca -0.21 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 1eeq s ILE 48 Cb 0.07 -0.19 -0.04 0.00 -1.58 0.00 0.00 42.46 40.71 1eeq s ILE 48 CO 0.30 -0.16 0.07 -0.72 -1.23 0.00 0.00 174.94 173.20 1eeq s TYR 49 N -0.57 1.19 -1.48 3.97 1.13 -0.20 -0.84 117.35 120.55 1eeq s TYR 49 Ca -0.05 -1.19 -0.01 0.00 -1.41 0.00 0.00 57.07 54.41 1eeq s TYR 49 Cb -0.04 -0.66 0.01 0.00 -1.10 0.00 0.00 41.96 40.16 1eeq s TYR 49 CO -0.00 -0.41 0.13 0.91 -2.51 0.00 0.00 175.55 173.66 1eeq n TRP 50 N -0.26 -1.34 0.00 -3.49 5.03 -0.95 -0.78 117.44 115.64 1eeq n TRP 50 Ca -0.03 0.11 0.00 0.00 3.03 0.00 0.00 57.50 60.61 1eeq n TRP 50 Cb 0.65 -3.59 0.00 0.00 -1.03 0.00 0.00 31.31 27.34 1eeq n TRP 50 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1eeq n ALA 51 N -2.42 0.00 -1.13 6.99 0.00 0.14 -4.18 120.51 119.90 1eeq n ALA 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1eeq n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1eeq n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1eeq n SER 52 N 0.50 0.00 -4.73 0.00 3.41 -1.09 -3.36 113.62 108.35 1eeq n SER 52 Ca 0.00 -1.02 -0.36 0.00 -0.26 0.00 0.00 58.87 57.22 1eeq n SER 52 Cb 0.00 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1eeq n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1eeq s THR 53 N 0.00 5.31 0.13 6.66 2.01 0.04 -4.59 115.64 125.20 1eeq s THR 53 Ca 0.00 0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 1eeq s THR 53 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 1eeq s THR 53 CO 0.00 0.39 0.88 -0.60 -0.69 0.00 0.00 174.62 174.60 1eeq s ARG 54 N 0.49 4.66 0.57 4.92 3.52 -1.26 -1.04 118.95 130.82 1eeq s ARG 54 Ca 0.16 1.32 -0.18 0.00 -0.13 0.00 0.00 55.73 56.91 1eeq s ARG 54 Cb -0.13 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1eeq s ARG 54 CO 0.04 0.36 1.09 -2.00 -0.81 0.00 0.00 175.30 173.98 1eeq s GLU 55 N -0.46 3.31 0.29 5.12 2.56 -0.45 -4.93 118.70 124.15 1eeq s GLU 55 Ca 0.42 1.43 -0.30 0.00 0.00 0.00 0.00 54.97 56.52 1eeq s GLU 55 Cb -0.23 -2.02 -0.12 0.00 2.00 0.00 0.00 34.13 33.76 1eeq s GLU 55 CO 0.28 -0.85 1.53 0.43 -0.56 0.00 0.00 175.26 176.10 1eeq n SER 56 N -1.63 3.58 0.00 -1.70 7.64 -1.26 -2.31 113.62 117.94 1eeq n SER 56 Ca 0.10 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1eeq n SER 56 Cb 0.52 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1eeq n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1eeq n GLY 57 N 1.91 2.63 3.73 0.23 0.00 -1.26 -5.02 105.19 107.41 1eeq n GLY 57 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1eeq n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1eeq s VAL 58 N -2.90 4.71 0.42 1.61 1.01 -0.98 -5.01 120.40 119.26 1eeq s VAL 58 Ca 0.00 1.90 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 1eeq s VAL 58 Cb 0.00 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1eeq s VAL 58 CO 0.00 0.28 0.94 -2.65 0.00 0.00 0.00 175.10 173.67 1eeq n PRO 59 N 3.19 1.22 0.32 2.72 -0.02 -1.26 -4.87 135.00 136.30 1eeq n PRO 59 Ca 0.02 0.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.15 1eeq n PRO 59 Cb 0.50 -1.96 1.07 0.00 -0.02 0.00 0.00 33.50 33.09 1eeq n PRO 59 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1eeq h ASP 60 N 1.43 0.00 0.49 2.55 3.04 -1.99 -2.56 116.42 119.38 1eeq h ASP 60 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1eeq h ASP 60 Cb 1.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 1eeq h ASP 60 CO 0.56 0.00 0.00 -2.11 -2.04 0.00 0.00 179.24 175.65 1eeq n ARG 61 N -3.04 0.05 -3.43 4.15 1.85 -1.26 -4.61 116.66 110.37 1eeq n ARG 61 Ca -0.02 0.33 -0.37 0.00 -1.00 0.00 0.00 57.85 56.79 1eeq n ARG 61 Cb 0.13 -1.61 -0.07 0.00 -1.05 0.00 0.00 32.46 29.86 1eeq n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1eeq s PHE 62 N -3.10 3.44 -0.03 2.89 0.08 -0.97 -0.46 117.98 119.84 1eeq s PHE 62 Ca 0.05 0.67 -0.10 0.00 0.12 0.00 0.00 56.93 57.68 1eeq s PHE 62 Cb 0.08 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1eeq s PHE 62 CO 0.27 0.13 0.22 -1.54 -0.10 0.00 0.00 175.22 174.20 1eeq s SER 63 N 0.71 -0.12 0.11 1.36 1.04 -0.21 -4.95 113.70 111.64 1eeq s SER 63 Ca 0.20 0.08 0.10 0.00 0.48 0.00 0.00 55.95 56.81 1eeq s SER 63 Cb -0.14 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1eeq s SER 63 CO 0.07 -0.31 -0.26 -0.83 0.98 0.00 0.00 173.24 172.89 1eeq s GLY 64 N -0.93 1.55 0.28 7.32 0.00 -1.26 -0.22 107.32 114.06 1eeq s GLY 64 Ca -0.10 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.17 1eeq s GLY 64 CO 0.02 -1.36 0.39 -1.35 0.00 0.00 0.00 173.10 170.80 1eeq s SER 65 N -1.86 0.47 0.00 1.64 1.04 -0.29 -4.29 113.70 110.42 1eeq s SER 65 Ca 0.14 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1eeq s SER 65 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1eeq s SER 65 CO 0.05 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1eeq n GLY 66 N -0.45 1.83 3.49 7.32 0.00 -1.26 -1.15 105.19 114.98 1eeq n GLY 66 Ca 0.01 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 1eeq n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1eeq s SER 67 N 0.00 -0.51 0.24 1.61 0.15 -0.83 -4.94 113.70 109.42 1eeq s SER 67 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1eeq s SER 67 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1eeq s SER 67 CO 0.00 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1eeq n GLY 68 N 0.17 1.58 0.00 9.45 0.00 -1.26 -2.96 105.19 112.16 1eeq n GLY 68 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1eeq n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1eeq n THR 69 N 0.00 0.00 -4.22 2.61 -2.24 -1.26 -1.41 114.28 107.76 1eeq n THR 69 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1eeq n THR 69 Cb 0.00 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 1eeq n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1eeq s ASP 70 N -0.84 3.01 0.14 3.42 1.01 -1.16 -0.56 116.67 121.69 1eeq s ASP 70 Ca 0.00 -0.60 0.05 0.00 0.71 0.00 0.00 52.55 52.71 1eeq s ASP 70 Cb 0.00 -1.40 -0.04 0.00 1.01 0.00 0.00 42.92 42.49 1eeq s ASP 70 CO 0.00 0.00 -0.11 -0.36 0.21 0.00 0.00 175.17 174.92 1eeq s PHE 71 N 1.23 1.29 -0.02 4.23 0.40 -0.20 -1.97 117.98 122.94 1eeq s PHE 71 Ca 0.02 -0.72 -0.03 0.00 -0.60 0.00 0.00 56.93 55.60 1eeq s PHE 71 Cb -0.13 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.74 1eeq s PHE 71 CO -0.10 0.10 0.08 0.99 0.70 0.00 0.00 175.22 177.00 1eeq s THR 72 N -3.11 0.02 -0.14 0.64 2.01 -0.30 -1.13 115.64 113.63 1eeq s THR 72 Ca 0.15 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 1eeq s THR 72 Cb 0.01 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1eeq s THR 72 CO 0.01 -0.09 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.57 1eeq s LEU 73 N -0.25 3.09 -0.04 4.42 2.96 0.35 -1.14 118.68 128.07 1eeq s LEU 73 Ca -0.03 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1eeq s LEU 73 Cb -0.02 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 1eeq s LEU 73 CO 0.00 0.18 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.15 1eeq s THR 74 N 0.31 1.39 -0.34 3.68 2.01 0.70 -1.17 115.64 122.22 1eeq s THR 74 Ca -0.06 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1eeq s THR 74 Cb -0.15 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 71.23 1eeq s THR 74 CO 0.04 0.40 0.08 -0.63 -0.69 0.00 0.00 174.62 173.82 1eeq s ILE 75 N 0.01 3.33 0.13 1.82 1.01 -0.22 -1.05 121.20 126.22 1eeq s ILE 75 Ca -0.03 -1.44 -0.28 0.00 0.00 0.00 0.00 60.65 58.90 1eeq s ILE 75 Cb -0.11 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1eeq s ILE 75 CO 0.02 -0.26 1.60 0.77 0.00 0.00 0.00 174.94 177.07 1eeq h SER 76 N 8.09 -1.11 -3.46 3.58 4.64 -1.06 -1.39 113.55 122.83 1eeq h SER 76 Ca -0.20 0.14 -0.60 0.00 -0.47 0.00 0.00 61.79 60.66 1eeq h SER 76 Cb 1.07 0.45 -0.39 0.00 -0.31 0.00 0.00 62.40 63.21 1eeq h SER 76 CO 0.59 -0.41 -0.76 -0.55 -0.87 0.00 0.00 176.83 174.83 1eeq s SER 77 N -4.83 4.01 0.17 4.97 0.15 -1.26 -3.55 113.70 113.35 1eeq s SER 77 Ca -0.16 -1.49 -0.32 0.00 0.70 0.00 0.00 55.95 54.69 1eeq s SER 77 Cb 0.09 -1.12 -0.11 0.00 -1.71 0.00 0.00 66.02 63.18 1eeq s SER 77 CO 0.65 -0.33 1.72 -0.22 1.20 0.00 0.00 173.24 176.26 1eeq s LEU 78 N 1.41 4.38 0.17 3.45 2.96 0.79 -4.78 118.68 127.05 1eeq s LEU 78 Ca 0.03 2.76 0.09 0.00 -0.22 0.00 0.00 54.13 56.80 1eeq s LEU 78 Cb -0.18 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1eeq s LEU 78 CO -0.13 -0.95 -0.14 -1.10 -1.32 0.00 0.00 176.35 172.71 1eeq s GLN 79 N 1.71 1.89 0.35 1.98 -0.21 -1.26 0.02 119.66 124.14 1eeq s GLN 79 Ca 0.76 -1.30 0.13 0.00 0.02 0.00 0.00 55.36 54.96 1eeq s GLN 79 Cb -0.47 -2.09 0.96 0.00 1.00 0.00 0.00 33.01 32.41 1eeq s GLN 79 CO 0.33 0.44 1.77 0.00 -2.12 0.00 0.00 175.29 175.70 1eeq h ALA 80 N 3.15 1.97 0.00 6.09 0.00 -2.00 0.21 119.26 128.68 1eeq h ALA 80 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1eeq h ALA 80 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1eeq h ALA 80 CO 0.51 -0.38 0.00 -0.85 0.00 0.00 0.00 179.25 178.53 1eeq n GLU 81 N -4.73 0.03 0.00 0.00 0.28 -1.26 -2.66 120.64 112.30 1eeq n GLU 81 Ca 0.25 0.25 0.14 0.00 -0.16 0.00 0.00 57.16 57.64 1eeq n GLU 81 Cb 0.76 -1.50 0.60 0.00 1.43 0.00 0.00 31.44 32.73 1eeq n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1eeq n ASP 82 N -1.46 0.41 -4.67 -1.84 8.00 0.75 -4.82 116.55 112.92 1eeq n ASP 82 Ca 0.04 -0.46 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 1eeq n ASP 82 Cb 0.15 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1eeq n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1eeq s VAL 83 N -2.54 3.35 -1.15 2.53 1.01 -1.09 -4.86 120.40 117.65 1eeq s VAL 83 Ca 0.27 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1eeq s VAL 83 Cb 0.20 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1eeq s VAL 83 CO 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1eeq n ALA 84 N 6.63 0.00 -2.82 5.51 0.00 -0.97 -4.93 120.51 123.93 1eeq n ALA 84 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 1eeq n ALA 84 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1eeq n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1eeq s VAL 85 N -2.57 5.32 -0.07 0.00 1.01 -0.30 -0.83 120.40 122.96 1eeq s VAL 85 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1eeq s VAL 85 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1eeq s VAL 85 CO 0.00 0.57 -0.20 -0.31 0.00 0.00 0.00 175.10 175.16 1eeq s TYR 86 N -0.59 2.59 0.03 5.22 2.02 0.23 -0.09 117.35 126.76 1eeq s TYR 86 Ca 0.12 -0.59 0.07 0.00 -0.37 0.00 0.00 57.07 56.30 1eeq s TYR 86 Cb -0.12 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1eeq s TYR 86 CO 0.02 -0.13 -0.19 0.71 -1.57 0.00 0.00 175.55 174.39 1eeq s TYR 87 N -0.16 1.70 0.16 2.71 2.02 -0.11 -0.70 117.35 122.98 1eeq s TYR 87 Ca -0.02 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 1eeq s TYR 87 Cb -0.14 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1eeq s TYR 87 CO 0.04 0.05 0.16 0.00 -1.57 0.00 0.00 175.55 174.23 1eeq s GLN 89 N -3.13 0.16 -0.08 0.00 0.74 0.14 -0.92 119.66 116.58 1eeq s GLN 89 Ca 0.31 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.83 1eeq s GLN 89 Cb -0.10 0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.06 1eeq s GLN 89 CO 0.24 -0.02 -0.12 1.14 -0.55 0.00 0.00 175.29 175.97 1eeq s GLN 90 N -0.09 2.81 -0.18 1.67 1.03 -0.04 -0.58 119.66 124.28 1eeq s GLN 90 Ca -0.02 -0.66 0.17 0.00 0.04 0.00 0.00 55.36 54.89 1eeq s GLN 90 Cb -0.02 -2.49 0.45 0.00 0.03 0.00 0.00 33.01 30.98 1eeq s GLN 90 CO 0.00 0.51 1.17 2.48 -2.54 0.00 0.00 175.29 176.92 1eeq n TYR 91 N 2.65 0.85 0.02 9.60 4.11 -0.77 -2.75 117.16 130.87 1eeq n TYR 91 Ca -0.18 -1.50 -0.18 0.00 -0.00 0.00 0.00 57.90 56.05 1eeq n TYR 91 Cb 0.52 -0.23 -0.12 0.00 -0.00 0.00 0.00 39.34 39.51 1eeq n TYR 91 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1eeq h TYR 92 N 1.60 0.54 -3.19 -3.48 3.20 -1.91 -3.47 116.97 110.26 1eeq h TYR 92 Ca -0.02 -0.33 -0.14 0.00 3.14 0.00 0.00 58.73 61.38 1eeq h TYR 92 Cb 1.44 -0.05 -0.22 0.00 1.54 0.00 0.00 36.73 39.44 1eeq h TYR 92 CO 0.55 1.18 -0.39 -1.54 -1.64 0.00 0.00 178.16 176.32 1eeq s SER 93 N -6.78 -0.17 0.33 -2.11 1.04 -1.26 -5.09 113.70 99.67 1eeq s SER 93 Ca -0.14 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.22 1eeq s SER 93 Cb 0.02 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 1eeq s SER 93 CO 0.82 -0.28 1.03 -1.00 0.98 0.00 0.00 173.24 174.78 1eeq s HIS 94 N -0.73 3.52 0.18 5.02 3.76 -1.26 -3.56 115.29 122.22 1eeq s HIS 94 Ca -0.08 1.72 -0.30 0.00 -0.15 0.00 0.00 55.06 56.25 1eeq s HIS 94 Cb -0.04 -3.11 -0.08 0.00 1.11 0.00 0.00 32.58 30.46 1eeq s HIS 94 CO 0.02 -0.30 1.07 -1.25 -0.85 0.00 0.00 174.74 173.43 1eeq s PRO 95 N -1.98 4.62 0.79 8.40 0.04 -1.26 -4.97 135.00 140.64 1eeq s PRO 95 Ca 0.51 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 1eeq s PRO 95 Cb -0.24 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.08 1eeq s PRO 95 CO 0.31 0.12 1.13 0.71 0.04 0.00 0.00 177.00 179.31 1eeq s TYR 96 N -0.31 2.21 0.09 0.56 2.02 -1.23 -4.70 117.35 115.99 1eeq s TYR 96 Ca 0.48 1.64 -0.13 0.00 -0.37 0.00 0.00 57.07 58.68 1eeq s TYR 96 Cb -0.29 -3.22 0.02 0.00 -0.40 0.00 0.00 41.96 38.07 1eeq s TYR 96 CO 0.34 -2.22 0.31 -1.54 -1.57 0.00 0.00 175.55 170.88 1eeq s SER 97 N -2.84 -0.11 0.23 2.29 1.04 -1.11 -5.01 113.70 108.20 1eeq s SER 97 Ca 0.66 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.83 1eeq s SER 97 Cb -0.21 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1eeq s SER 97 CO 0.53 -0.74 -0.15 -0.36 0.98 0.00 0.00 173.24 173.50 1eeq s PHE 98 N -3.41 2.46 0.94 5.02 0.40 -1.26 -0.87 117.98 121.27 1eeq s PHE 98 Ca 0.01 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 55.90 1eeq s PHE 98 Cb 0.02 -1.14 0.17 0.00 0.51 0.00 0.00 43.02 42.57 1eeq s PHE 98 CO -0.09 0.59 1.23 0.20 0.70 0.00 0.00 175.22 177.85 1eeq s GLY 99 N -3.15 1.67 0.14 4.36 0.00 -0.10 -4.52 107.32 105.72 1eeq s GLY 99 Ca 0.27 -0.90 0.23 0.00 0.00 0.00 0.00 44.72 44.31 1eeq s GLY 99 CO 0.15 -0.23 1.72 0.61 0.00 0.00 0.00 173.10 175.34 1eeq n GLN 100 N -3.78 0.13 0.00 2.90 0.00 -1.26 -4.74 117.38 110.63 1eeq n GLN 100 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 57.00 57.36 1eeq n GLN 100 Cb 0.60 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1eeq n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1eeq n GLY 101 N 0.63 1.07 3.03 2.61 0.00 -1.26 -5.05 105.19 106.23 1eeq n GLY 101 Ca 0.04 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 1eeq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1eeq s THR 102 N -2.19 1.34 -0.12 2.61 2.01 0.12 -4.78 115.64 114.63 1eeq s THR 102 Ca 0.00 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 1eeq s THR 102 Cb 0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1eeq s THR 102 CO 0.00 0.41 0.67 -1.59 -0.69 0.00 0.00 174.62 173.42 1eeq s LYS 103 N 0.98 4.35 -0.21 4.92 -2.85 -0.41 -0.60 119.74 125.92 1eeq s LYS 103 Ca -0.08 0.77 -0.03 0.00 -1.00 0.00 0.00 55.97 55.63 1eeq s LYS 103 Cb -0.15 -3.50 -0.00 0.00 -2.06 0.00 0.00 37.83 32.12 1eeq s LYS 103 CO -0.01 -0.05 -0.07 -1.17 0.10 0.00 0.00 175.35 174.15 1eeq s LEU 104 N 1.24 2.78 0.19 2.77 2.96 -0.01 -0.12 118.68 128.49 1eeq s LEU 104 Ca 0.34 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1eeq s LEU 104 Cb -0.17 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1eeq s LEU 104 CO 0.14 -0.01 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.50 1eeq s GLU 105 N 1.40 1.21 0.18 1.98 2.02 0.08 -2.29 118.70 123.27 1eeq s GLU 105 Ca 0.05 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.17 1eeq s GLU 105 Cb -0.14 -0.65 -0.07 0.00 0.10 0.00 0.00 34.13 33.37 1eeq s GLU 105 CO -0.04 -0.00 0.97 0.42 0.02 0.00 0.00 175.26 176.62 1eeq s ILE 106 N -3.35 4.22 0.00 -1.63 -1.09 -1.26 -1.48 121.20 116.61 1eeq s ILE 106 Ca 0.23 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.67 1eeq s ILE 106 Cb 0.04 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1eeq s ILE 106 CO 0.05 0.39 0.39 0.29 -1.23 0.00 0.00 174.94 174.84