#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kip s VAL 1 N 0.00 3.93 0.00 4.08 1.01 -0.51 -4.95 120.40 123.95 3kip s VAL 1 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3kip s VAL 1 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3kip s VAL 1 CO 0.00 0.36 0.00 0.29 0.00 0.00 0.00 175.10 175.75 3kip n LYS 2 N 1.95 2.90 -3.77 2.72 4.76 -1.26 -4.71 118.16 120.75 3kip n LYS 2 Ca 0.01 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 3kip n LYS 2 Cb 0.46 -0.98 -0.13 0.00 -1.84 0.00 0.00 35.03 32.55 3kip n LYS 2 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kip s LYS 3 N -1.96 2.83 -0.02 1.97 2.20 -1.26 0.23 119.74 123.73 3kip s LYS 3 Ca 0.00 -1.03 0.07 0.00 -0.36 0.00 0.00 55.97 54.64 3kip s LYS 3 Cb 0.00 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3kip s LYS 3 CO 0.00 -0.56 -0.22 0.08 -0.36 0.00 0.00 175.35 174.29 3kip s VAL 4 N 1.44 2.40 -0.21 4.02 1.01 -0.33 -1.02 120.40 127.70 3kip s VAL 4 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3kip s VAL 4 Cb -0.18 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3kip s VAL 4 CO 0.02 0.54 0.00 -0.22 0.00 0.00 0.00 175.10 175.44 3kip s LEU 5 N -0.78 3.22 -0.34 3.92 2.96 -0.68 -0.52 118.68 126.46 3kip s LEU 5 Ca 0.11 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 3kip s LEU 5 Cb -0.10 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3kip s LEU 5 CO 0.00 0.04 0.51 -0.22 -1.32 0.00 0.00 176.35 175.36 3kip s LEU 6 N 1.14 4.30 -0.14 -0.68 2.96 0.20 0.05 118.68 126.51 3kip s LEU 6 Ca 0.03 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3kip s LEU 6 Cb -0.14 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3kip s LEU 6 CO 0.01 -0.45 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.95 3kip s ILE 7 N 2.38 4.17 -0.11 6.68 1.01 -0.29 -0.87 121.20 134.18 3kip s ILE 7 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.59 3kip s ILE 7 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 3kip s ILE 7 CO 0.13 0.51 -0.18 0.20 0.00 0.00 0.00 174.94 175.59 3kip s ASN 8 N 0.08 3.56 0.00 3.58 -0.87 0.52 -1.16 114.94 120.65 3kip s ASN 8 Ca 0.01 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.87 3kip s ASN 8 Cb -0.13 -1.44 0.00 0.00 -0.02 0.00 0.00 41.25 39.66 3kip s ASN 8 CO 0.02 0.18 0.00 0.61 -2.57 0.00 0.00 177.10 175.34 3kip n GLY 9 N 3.43 0.02 3.77 0.66 0.00 0.12 -2.40 105.19 110.79 3kip n GLY 9 Ca -0.18 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 3kip n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kip s PRO 10 N 0.00 3.10 0.00 1.61 0.04 -1.16 -3.42 135.00 135.17 3kip s PRO 10 Ca 0.00 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3kip s PRO 10 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3kip s PRO 10 CO 0.00 -1.04 0.00 0.09 0.04 0.00 0.00 177.00 176.09 3kip n ASN 11 N -1.71 0.00 0.26 6.66 3.02 -1.26 -4.58 115.26 117.64 3kip n ASN 11 Ca 0.12 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.82 3kip n ASN 11 Cb 0.51 -0.25 0.50 0.00 -0.61 0.00 0.00 39.78 39.94 3kip n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kip h LEU 12 N 0.00 0.00 -1.00 3.41 3.38 -1.92 0.38 115.31 119.57 3kip h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kip h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kip h LEU 12 CO 0.00 0.02 0.61 -0.55 0.09 0.00 0.00 178.44 178.61 3kip h ASN 13 N 0.00 0.00 -0.03 -0.43 -1.07 -1.87 -2.50 115.58 109.68 3kip h ASN 13 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3kip h ASN 13 Cb 0.69 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.94 3kip h ASN 13 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 3kip n LEU 14 N -2.58 2.32 -4.76 6.14 4.77 0.13 -4.68 117.00 118.34 3kip n LEU 14 Ca -0.01 -0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3kip n LEU 14 Cb 0.63 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 3kip n LEU 14 CO 0.07 0.39 0.88 -1.48 -1.33 0.00 0.00 177.39 175.92 3kip s LEU 15 N -1.99 4.49 -0.37 2.23 2.34 -0.94 -2.01 118.68 122.43 3kip s LEU 15 Ca 0.33 2.45 0.00 0.00 0.06 0.00 0.00 54.13 56.97 3kip s LEU 15 Cb 0.20 -3.64 0.13 0.00 -0.56 0.00 0.00 46.19 42.33 3kip s LEU 15 CO 0.32 -0.33 0.20 -0.83 -1.06 0.00 0.00 176.35 174.64 3kip s GLY 16 N -0.62 1.12 0.00 -3.48 0.00 -1.11 -2.93 107.32 100.30 3kip s GLY 16 Ca 0.47 -2.02 0.10 0.00 0.00 0.00 0.00 44.72 43.27 3kip s GLY 16 CO 0.46 1.86 1.05 -1.30 0.00 0.00 0.00 173.10 175.17 3kip n THR 17 N 4.06 0.57 -0.07 0.90 -2.24 -0.85 -4.64 114.28 112.01 3kip n THR 17 Ca 0.08 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 61.00 3kip n THR 17 Cb 0.37 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 3kip n THR 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kip n ARG 18 N 0.48 0.42 -0.31 -0.78 1.74 -1.26 -5.21 116.66 111.75 3kip n ARG 18 Ca 0.09 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 3kip n ARG 18 Cb 0.34 -1.27 0.28 0.00 -1.02 0.00 0.00 32.46 30.79 3kip n ARG 18 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3kip n TYR 23 N -4.09 0.80 -3.80 -1.55 9.36 -1.26 -5.14 117.16 111.48 3kip n TYR 23 Ca -0.11 -0.42 -0.25 0.00 3.32 0.00 0.00 57.90 60.44 3kip n TYR 23 Cb 0.40 -0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.11 3kip n TYR 23 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3kip s GLY 24 N -1.15 2.31 0.00 2.98 0.00 -1.26 -5.03 107.32 105.16 3kip s GLY 24 Ca 0.45 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3kip s GLY 24 CO 0.32 -1.91 0.72 -1.30 0.00 0.00 0.00 173.10 170.94 3kip n THR 25 N -1.79 0.00 -2.73 0.90 -2.24 -1.26 -4.62 114.28 102.54 3kip n THR 25 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3kip n THR 25 Cb 0.64 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3kip n THR 25 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kip s THR 26 N -1.84 4.83 0.40 4.28 2.01 -1.26 -4.53 115.64 119.53 3kip s THR 26 Ca 0.00 1.99 0.08 0.00 0.31 0.00 0.00 61.69 64.07 3kip s THR 26 Cb 0.00 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 3kip s THR 26 CO 0.00 0.06 0.50 -0.94 -0.69 0.00 0.00 174.62 173.55 3kip s SER 27 N 1.06 5.55 0.38 3.53 1.04 -1.26 -2.74 113.70 121.27 3kip s SER 27 Ca 0.48 -0.46 0.14 0.00 0.48 0.00 0.00 55.95 56.59 3kip s SER 27 Cb -0.19 -0.73 0.77 0.00 0.10 0.00 0.00 66.02 65.97 3kip s SER 27 CO 0.20 -0.68 1.83 0.25 0.98 0.00 0.00 173.24 175.83 3kip h LEU 28 N 0.78 0.00 0.00 2.42 5.85 -1.76 -2.03 115.31 120.58 3kip h LEU 28 Ca -0.41 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 3kip h LEU 28 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3kip h LEU 28 CO 0.49 0.36 -0.41 0.77 -0.34 0.00 0.00 178.44 179.31 3kip h SER 29 N 0.00 0.00 0.89 1.25 4.64 -1.94 -0.97 113.55 117.43 3kip h SER 29 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3kip h SER 29 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3kip h SER 29 CO 0.05 0.29 -0.47 0.44 -0.87 0.00 0.00 176.83 176.26 3kip h ASP 30 N 0.00 -1.15 -0.49 4.97 3.32 -1.76 0.18 116.42 121.48 3kip h ASP 30 Ca -0.01 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.18 3kip h ASP 30 Cb 1.23 0.31 -0.09 0.00 0.22 0.00 0.00 39.33 41.01 3kip h ASP 30 CO 0.04 -0.77 -0.08 0.40 -1.72 0.00 0.00 179.24 177.10 3kip h ILE 31 N -1.25 0.55 0.22 0.35 2.04 -1.34 -1.61 117.51 116.45 3kip h ILE 31 Ca -0.12 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kip h ILE 31 Cb 0.98 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kip h ILE 31 CO 0.17 0.01 -0.18 -0.33 0.00 0.00 0.00 178.15 177.82 3kip h GLU 32 N 0.03 -0.39 -0.98 2.37 5.08 -1.10 -1.80 114.58 117.79 3kip h GLU 32 Ca 0.24 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.80 3kip h GLU 32 Cb 0.36 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.53 3kip h GLU 32 CO -0.47 -0.26 -0.32 1.04 -1.00 0.00 0.00 179.01 178.00 3kip n GLN 33 N -5.30 -0.16 -0.12 2.33 1.13 0.61 -1.56 117.38 114.30 3kip n GLN 33 Ca -0.08 1.52 -0.12 0.00 -1.94 0.00 0.00 57.00 56.37 3kip n GLN 33 Cb 0.21 -2.26 -0.02 0.00 0.11 0.00 0.00 30.24 28.28 3kip n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kip h ALA 34 N 1.64 0.53 -0.37 -1.58 0.00 -1.11 -0.84 119.26 117.53 3kip h ALA 34 Ca 0.40 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kip h ALA 34 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kip h ALA 34 CO -0.99 0.48 0.06 0.00 0.00 0.00 0.00 179.25 178.80 3kip h ALA 35 N 0.80 0.49 -0.68 0.00 0.00 -0.87 0.21 119.26 119.19 3kip h ALA 35 Ca 0.08 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3kip h ALA 35 Cb 0.75 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3kip h ALA 35 CO 0.06 0.20 0.31 0.82 0.00 0.00 0.00 179.25 180.64 3kip h ILE 36 N 0.45 0.81 0.18 0.00 2.04 -0.75 -2.34 117.51 117.90 3kip h ILE 36 Ca 0.11 -0.18 -0.31 0.00 1.00 0.00 0.00 64.86 65.47 3kip h ILE 36 Cb 0.36 0.23 0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3kip h ILE 36 CO 0.01 0.10 -1.35 -0.33 0.00 0.00 0.00 178.15 176.58 3kip h GLU 37 N 0.53 0.56 -0.85 2.37 5.08 -0.86 -1.15 114.58 120.27 3kip h GLU 37 Ca 0.34 -0.84 0.22 0.00 -1.00 0.00 0.00 59.36 58.08 3kip h GLU 37 Cb 0.39 0.30 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 3kip h GLU 37 CO -0.29 1.39 0.18 0.37 -1.00 0.00 0.00 179.01 179.66 3kip h GLN 38 N 0.20 0.18 0.01 2.33 4.15 -0.29 0.72 115.11 122.41 3kip h GLN 38 Ca -0.21 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 3kip h GLN 38 Cb 2.03 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.68 3kip h GLN 38 CO 0.25 0.12 -0.00 0.00 -1.93 0.00 0.00 178.83 177.27 3kip h ALA 39 N 1.76 -0.01 -0.97 3.38 0.00 -1.32 -3.13 119.26 118.97 3kip h ALA 39 Ca 0.51 -0.40 0.26 0.00 0.00 0.00 0.00 54.91 55.29 3kip h ALA 39 Cb 1.00 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 3kip h ALA 39 CO -0.65 -0.04 0.51 0.87 0.00 0.00 0.00 179.25 179.94 3kip h LYS 40 N -0.95 0.42 0.00 0.00 1.79 -0.66 -1.17 116.57 116.00 3kip h LYS 40 Ca -0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3kip h LYS 40 Cb 0.80 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3kip h LYS 40 CO 0.00 0.28 0.00 1.25 -1.08 0.00 0.00 179.45 179.90 3kip h LEU 41 N 0.44 0.00 -1.86 2.94 5.85 0.44 -2.17 115.31 120.93 3kip h LEU 41 Ca 0.64 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.53 3kip h LEU 41 Cb 1.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3kip h LEU 41 CO -0.54 0.00 0.59 0.11 -0.34 0.00 0.00 178.44 178.26 3kip h LYS 42 N 0.00 0.00 -4.88 1.25 6.56 -1.15 -3.47 116.57 114.88 3kip h LYS 42 Ca 0.00 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.19 3kip h LYS 42 Cb 0.53 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.22 3kip h LYS 42 CO 0.00 0.00 -0.60 0.09 -2.06 0.00 0.00 179.45 176.88 3kip n ASN 43 N -3.74 -5.47 -1.42 0.86 3.02 -0.82 -4.85 115.26 102.84 3kip n ASN 43 Ca 0.12 -0.35 0.03 0.00 -0.03 0.00 0.00 54.58 54.35 3kip n ASN 43 Cb 0.81 -4.43 0.01 0.00 -0.61 0.00 0.00 39.78 35.57 3kip n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3kip n ASN 44 N -2.51 0.84 -3.63 6.41 0.23 -1.26 -4.99 115.26 110.35 3kip n ASN 44 Ca -0.07 -2.00 -0.22 0.00 -0.53 0.00 0.00 54.58 51.76 3kip n ASN 44 Cb 0.59 -0.26 0.06 0.00 -2.08 0.00 0.00 39.78 38.09 3kip n ASN 44 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kip n ASP 45 N 0.45 -3.19 -4.72 0.53 8.00 -1.26 -5.02 116.55 111.33 3kip n ASP 45 Ca 0.04 -0.69 -0.28 0.00 0.71 0.00 0.00 54.79 54.57 3kip n ASP 45 Cb 1.10 -4.56 0.11 0.00 -0.02 0.00 0.00 41.12 37.74 3kip n ASP 45 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kip s SER 46 N -3.95 4.26 -0.28 -2.24 0.01 -1.26 -4.87 113.70 105.36 3kip s SER 46 Ca 0.24 0.54 -0.16 0.00 1.31 0.00 0.00 55.95 57.88 3kip s SER 46 Cb -0.11 -0.96 0.09 0.00 0.21 0.00 0.00 66.02 65.24 3kip s SER 46 CO 0.77 -2.02 0.72 -0.70 0.41 0.00 0.00 173.24 172.42 3kip s GLU 47 N -5.55 0.68 -0.28 12.44 2.12 0.14 -4.57 118.70 123.67 3kip s GLU 47 Ca 0.64 1.17 -0.05 0.00 0.36 0.00 0.00 54.97 57.10 3kip s GLU 47 Cb -0.09 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.46 3kip s GLU 47 CO 0.49 -0.14 0.03 0.08 -0.54 0.00 0.00 175.26 175.17 3kip s VAL 48 N 1.58 3.53 0.41 3.70 1.01 -1.26 -1.19 120.40 128.17 3kip s VAL 48 Ca -0.10 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 3kip s VAL 48 Cb -0.05 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 3kip s VAL 48 CO -0.19 0.09 0.79 -0.76 0.00 0.00 0.00 175.10 175.04 3kip s LEU 49 N 1.42 3.84 0.11 3.92 1.43 0.32 -4.63 118.68 125.09 3kip s LEU 49 Ca 0.01 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.42 3kip s LEU 49 Cb -0.17 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 3kip s LEU 49 CO -0.00 -0.39 -0.22 0.68 0.23 0.00 0.00 176.35 176.65 3kip s VAL 50 N -2.34 1.81 -0.20 -1.59 -7.23 -1.26 0.61 120.40 110.21 3kip s VAL 50 Ca 0.53 -1.61 -0.24 0.00 -1.81 0.00 0.00 61.98 58.85 3kip s VAL 50 Cb -0.10 -1.65 0.06 0.00 0.56 0.00 0.00 36.38 35.25 3kip s VAL 50 CO 0.29 -0.06 0.64 0.12 -0.31 0.00 0.00 175.10 175.78 3kip s PHE 51 N -1.22 -0.68 -0.02 2.82 5.36 -0.04 -4.94 117.98 119.26 3kip s PHE 51 Ca 0.08 1.56 -0.04 0.00 -0.96 0.00 0.00 56.93 57.57 3kip s PHE 51 Cb -0.10 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 3kip s PHE 51 CO 0.05 -0.40 0.09 -1.14 -1.46 0.00 0.00 175.22 172.36 3kip s GLN 52 N -0.03 0.27 0.06 10.12 -0.44 -1.26 -0.35 119.66 128.03 3kip s GLN 52 Ca -0.03 -0.17 -0.24 0.00 -2.50 0.00 0.00 55.36 52.42 3kip s GLN 52 Cb -0.04 0.11 0.06 0.00 -1.64 0.00 0.00 33.01 31.51 3kip s GLN 52 CO 0.03 -0.05 0.57 0.45 0.50 0.00 0.00 175.29 176.79 3kip s SER 53 N -0.68 -0.52 0.01 6.67 0.15 -1.01 -4.98 113.70 113.35 3kip s SER 53 Ca -0.08 0.23 0.22 0.00 0.70 0.00 0.00 55.95 57.02 3kip s SER 53 Cb -0.05 0.53 -0.18 0.00 -1.71 0.00 0.00 66.02 64.61 3kip s SER 53 CO 0.00 -0.77 0.80 0.59 1.20 0.00 0.00 173.24 175.06 3kip n ASN 54 N 0.28 0.55 -4.62 5.45 3.02 -1.26 -3.00 115.26 115.68 3kip n ASN 54 Ca -0.18 -0.42 -0.40 0.00 -0.03 0.00 0.00 54.58 53.55 3kip n ASN 54 Cb 0.61 1.27 -0.07 0.00 -0.61 0.00 0.00 39.78 40.97 3kip n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kip s THR 55 N -3.24 5.06 0.16 3.41 2.01 -1.26 -4.65 115.64 117.13 3kip s THR 55 Ca 0.01 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 3kip s THR 55 Cb 0.15 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.88 3kip s THR 55 CO 0.86 0.07 1.61 -0.08 -0.69 0.00 0.00 174.62 176.39 3kip h GLU 56 N 8.01 -0.23 -0.67 4.92 4.81 -2.00 -2.02 114.58 127.42 3kip h GLU 56 Ca -0.29 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3kip h GLU 56 Cb 1.14 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.45 3kip h GLU 56 CO 0.72 -0.15 -0.12 0.78 -0.73 0.00 0.00 179.01 179.51 3kip h GLY 57 N -0.23 0.54 1.46 1.92 0.00 -2.00 0.03 103.07 104.80 3kip h GLY 57 Ca 0.17 0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 3kip h GLY 57 CO -0.51 -0.25 -0.26 0.74 0.00 0.00 0.00 176.54 176.27 3kip h PHE 58 N 0.02 0.70 -0.25 5.60 0.04 -1.84 0.17 116.94 121.39 3kip h PHE 58 Ca 0.33 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 3kip h PHE 58 Cb 0.52 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3kip h PHE 58 CO -0.50 0.82 -0.07 0.82 -0.60 0.00 0.00 178.31 178.78 3kip h ILE 59 N 0.54 1.19 -0.07 -0.55 2.04 -0.37 -0.60 117.51 119.69 3kip h ILE 59 Ca 0.07 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3kip h ILE 59 Cb 0.73 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3kip h ILE 59 CO 0.06 0.26 -0.12 0.40 0.00 0.00 0.00 178.15 178.74 3kip h ILE 60 N 0.37 1.41 -0.93 -0.67 2.04 0.15 -2.35 117.51 117.53 3kip h ILE 60 Ca 0.08 -1.40 0.27 0.00 1.00 0.00 0.00 64.86 64.81 3kip h ILE 60 Cb 0.36 2.17 -0.16 0.00 -0.74 0.00 0.00 36.82 38.45 3kip h ILE 60 CO 0.02 0.39 0.27 0.44 0.00 0.00 0.00 178.15 179.26 3kip h ASP 61 N -0.27 -0.01 -0.04 1.72 3.32 -0.85 -0.07 116.42 120.23 3kip h ASP 61 Ca 0.00 0.22 -0.25 0.00 0.02 0.00 0.00 57.03 57.03 3kip h ASP 61 Cb 0.69 0.30 0.02 0.00 0.22 0.00 0.00 39.33 40.56 3kip h ASP 61 CO 0.03 -0.23 -0.95 -0.09 -1.72 0.00 0.00 179.24 176.28 3kip h ARG 62 N 0.15 0.73 -0.46 3.56 9.65 -0.75 -0.37 114.38 126.89 3kip h ARG 62 Ca 0.62 -0.71 -0.03 0.00 -1.10 0.00 0.00 59.98 58.76 3kip h ARG 62 Cb 1.34 0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 30.08 3kip h ARG 62 CO -0.72 1.29 0.15 0.82 2.80 0.00 0.00 179.97 184.32 3kip h ILE 63 N 0.44 1.18 -0.16 1.20 2.04 -0.86 0.90 117.51 122.26 3kip h ILE 63 Ca -0.10 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3kip h ILE 63 Cb 1.59 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3kip h ILE 63 CO 0.19 0.23 0.02 0.45 0.00 0.00 0.00 178.15 179.04 3kip h HIS 64 N 0.66 0.29 -0.62 1.37 3.86 -0.19 -2.81 115.15 117.71 3kip h HIS 64 Ca 0.16 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3kip h HIS 64 Cb 0.18 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3kip h HIS 64 CO 0.01 0.45 0.41 1.49 0.86 0.00 0.00 177.93 181.15 3kip h GLU 65 N 0.04 0.68 -0.77 2.45 4.57 -0.40 -1.67 114.58 119.47 3kip h GLU 65 Ca 0.05 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3kip h GLU 65 Cb 0.32 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3kip h GLU 65 CO 0.00 0.45 0.37 0.00 -1.18 0.00 0.00 179.01 178.65 3kip h ALA 66 N 1.65 1.00 -0.25 2.92 0.00 -0.60 0.19 119.26 124.16 3kip h ALA 66 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kip h ALA 66 Cb 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kip h ALA 66 CO -0.07 0.57 0.10 -0.22 0.00 0.00 0.00 179.25 179.62 3kip h LYS 67 N 1.09 0.21 -0.96 0.00 3.64 -1.08 -0.99 116.57 118.48 3kip h LYS 67 Ca 0.26 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.75 3kip h LYS 67 Cb 0.13 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.82 3kip h LYS 67 CO -0.03 0.14 0.61 0.00 -2.27 0.00 0.00 179.45 177.90 3kip h ARG 68 N 0.22 0.91 0.00 1.90 3.08 -0.85 -0.29 114.38 119.35 3kip h ARG 68 Ca 0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kip h ARG 68 Cb 0.07 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3kip h ARG 68 CO -0.10 0.60 0.00 1.04 -1.07 0.00 0.00 179.97 180.44 3kip n GLN 69 N -4.58 0.35 -1.07 0.04 6.02 0.45 -4.87 117.38 113.72 3kip n GLN 69 Ca 0.18 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.20 3kip n GLN 69 Cb 0.35 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 3kip n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kip n GLY 70 N -0.11 0.48 3.67 1.08 0.00 -0.12 -4.96 105.19 105.24 3kip n GLY 70 Ca 0.09 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 3kip n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kip n VAL 71 N -2.55 0.46 0.85 1.61 0.31 -0.43 -4.84 118.33 113.74 3kip n VAL 71 Ca -0.03 -0.12 0.09 0.00 -0.01 0.00 0.00 64.34 64.28 3kip n VAL 71 Cb 0.27 -1.52 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 3kip n VAL 71 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kip n GLY 72 N 2.79 -0.40 3.53 2.92 0.00 -0.19 -4.75 105.19 109.09 3kip n GLY 72 Ca 0.14 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 3kip n GLY 72 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kip s PHE 73 N -2.47 -0.56 -0.06 1.61 2.19 -1.19 -4.42 117.98 113.08 3kip s PHE 73 Ca 0.10 0.91 0.05 0.00 0.33 0.00 0.00 56.93 58.32 3kip s PHE 73 Cb 0.14 0.43 -0.00 0.00 -1.31 0.00 0.00 43.02 42.28 3kip s PHE 73 CO 0.63 -0.54 -0.21 0.08 1.83 0.00 0.00 175.22 177.01 3kip s VAL 74 N -1.37 1.78 -0.27 3.12 1.01 0.01 -1.68 120.40 122.99 3kip s VAL 74 Ca -0.07 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3kip s VAL 74 Cb -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3kip s VAL 74 CO 0.06 0.50 0.04 -0.69 0.00 0.00 0.00 175.10 175.00 3kip s VAL 75 N 0.09 3.78 -0.06 2.92 1.01 0.11 -1.88 120.40 126.37 3kip s VAL 75 Ca -0.08 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3kip s VAL 75 Cb -0.14 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3kip s VAL 75 CO 0.04 0.20 -0.13 -0.51 0.00 0.00 0.00 175.10 174.71 3kip s ILE 76 N 1.50 1.15 -0.30 2.22 2.07 -0.30 -1.13 121.20 126.40 3kip s ILE 76 Ca 0.04 -0.51 -0.01 0.00 -1.41 0.00 0.00 60.65 58.76 3kip s ILE 76 Cb -0.16 -1.03 0.06 0.00 0.13 0.00 0.00 42.46 41.45 3kip s ILE 76 CO 0.01 0.35 -0.01 0.21 -1.91 0.00 0.00 174.94 173.59 3kip s ASN 77 N 0.48 4.81 0.00 4.50 3.84 -0.31 -1.01 114.94 127.25 3kip s ASN 77 Ca -0.11 -1.37 0.20 0.00 0.21 0.00 0.00 52.86 51.79 3kip s ASN 77 Cb -0.14 -1.68 0.56 0.00 -0.55 0.00 0.00 41.25 39.44 3kip s ASN 77 CO 0.03 -0.26 1.45 0.00 -2.79 0.00 0.00 177.10 175.53 3kip n ALA 78 N 4.57 2.46 -0.66 1.71 0.00 -1.26 0.14 120.51 127.47 3kip n ALA 78 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3kip n ALA 78 Cb 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3kip n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kip n GLY 79 N 1.30 2.11 0.42 0.00 0.00 -1.26 -1.39 105.19 106.38 3kip n GLY 79 Ca 0.17 -0.39 0.23 0.00 0.00 0.00 0.00 46.02 46.03 3kip n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kip h ALA 80 N -0.66 2.38 -0.18 4.61 0.00 -1.95 -1.08 119.26 122.37 3kip h ALA 80 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kip h ALA 80 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kip h ALA 80 CO 0.00 -0.71 0.23 1.88 0.00 0.00 0.00 179.25 180.65 3kip h TYR 81 N 0.31 0.00 -1.03 0.00 0.05 -1.61 0.11 116.97 114.80 3kip h TYR 81 Ca 0.51 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.56 3kip h TYR 81 Cb 1.45 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.11 3kip h TYR 81 CO -0.00 0.00 0.67 1.15 -1.05 0.00 0.00 178.16 178.93 3kip h THR 82 N 0.00 0.54 -0.01 -2.88 2.02 -1.27 -0.90 112.91 110.40 3kip h THR 82 Ca 0.09 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3kip h THR 82 Cb 0.55 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3kip h THR 82 CO -0.00 0.06 -0.48 1.41 0.37 0.00 0.00 175.52 176.88 3kip n HIS 83 N -4.56 0.00 0.00 3.16 8.25 0.38 -1.02 115.22 121.43 3kip n HIS 83 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3kip n HIS 83 Cb 0.88 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3kip n HIS 83 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kip n THR 84 N -0.66 0.00 -3.65 1.59 -2.24 -0.49 -4.76 114.28 104.07 3kip n THR 84 Ca 0.09 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 3kip n THR 84 Cb 0.39 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.10 3kip n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kip s SER 85 N -0.34 5.52 0.43 3.42 0.15 -0.47 -4.86 113.70 117.56 3kip s SER 85 Ca 0.00 -2.32 0.19 0.00 0.70 0.00 0.00 55.95 54.52 3kip s SER 85 Cb 0.00 -1.93 0.96 0.00 -1.71 0.00 0.00 66.02 63.35 3kip s SER 85 CO 0.00 -0.54 1.90 0.58 1.20 0.00 0.00 173.24 176.38 3kip h VAL 86 N 5.80 0.94 -0.60 4.45 2.07 -1.93 -3.13 116.25 123.85 3kip h VAL 86 Ca -0.10 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 3kip h VAL 86 Cb 1.02 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 3kip h VAL 86 CO 0.76 0.27 0.26 1.23 0.02 0.00 0.00 177.57 180.11 3kip h GLY 87 N 1.21 0.96 0.89 2.17 0.00 -1.98 0.13 103.07 106.45 3kip h GLY 87 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 3kip h GLY 87 CO 0.04 0.48 0.08 -2.22 0.00 0.00 0.00 176.54 174.92 3kip h ILE 88 N 0.84 1.20 -0.57 2.60 2.04 -1.92 -0.50 117.51 121.21 3kip h ILE 88 Ca 0.20 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.52 3kip h ILE 88 Cb 0.18 1.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 3kip h ILE 88 CO -0.02 0.21 -0.31 -0.09 0.00 0.00 0.00 178.15 177.94 3kip h ARG 89 N 0.26 -0.15 0.00 2.37 2.43 -1.30 0.18 114.38 118.17 3kip h ARG 89 Ca 0.09 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3kip h ARG 89 Cb 0.25 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3kip h ARG 89 CO -0.00 -0.10 -0.28 -0.44 -1.51 0.00 0.00 179.97 177.64 3kip h ASP 90 N -0.15 0.00 -0.22 -3.80 5.19 -0.61 -0.95 116.42 115.88 3kip h ASP 90 Ca 0.23 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.54 3kip h ASP 90 Cb 0.54 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 3kip h ASP 90 CO -0.65 0.28 -0.26 0.00 -3.12 0.00 0.00 179.24 175.48 3kip h ALA 91 N 1.72 0.33 -0.48 3.45 0.00 0.43 0.20 119.26 124.91 3kip h ALA 91 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3kip h ALA 91 Cb 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kip h ALA 91 CO 0.04 0.31 0.26 -0.07 0.00 0.00 0.00 179.25 179.79 3kip h LEU 92 N 0.25 0.59 -0.42 0.00 3.38 -0.41 -1.12 115.31 117.59 3kip h LEU 92 Ca 0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3kip h LEU 92 Cb 0.83 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3kip h LEU 92 CO 0.06 0.51 -0.03 -0.07 0.09 0.00 0.00 178.44 179.00 3kip h LEU 93 N 0.63 0.76 -0.74 1.67 3.38 -1.21 -1.48 115.31 118.32 3kip h LEU 93 Ca 0.17 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3kip h LEU 93 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kip h LEU 93 CO -0.03 0.90 -0.20 1.23 0.09 0.00 0.00 178.44 180.43 3kip h GLY 94 N 0.59 0.81 1.53 0.83 0.00 -0.45 -2.35 103.07 104.04 3kip h GLY 94 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3kip h GLY 94 CO 0.03 0.61 -0.06 -1.30 0.00 0.00 0.00 176.54 175.82 3kip n THR 95 N -4.12 0.00 -3.68 4.70 -2.24 -0.44 -4.96 114.28 103.54 3kip n THR 95 Ca 0.00 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 3kip n THR 95 Cb 0.42 -0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3kip n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kip n ALA 96 N -1.30 -1.17 -2.64 6.98 0.00 -0.59 -4.98 120.51 116.80 3kip n ALA 96 Ca 0.11 0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 3kip n ALA 96 Cb 0.29 -3.78 -0.06 0.00 0.00 0.00 0.00 19.45 15.89 3kip n ALA 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kip s ILE 97 N -3.16 5.12 0.52 0.00 1.01 -0.97 -5.03 121.20 118.68 3kip s ILE 97 Ca 0.55 0.98 -0.18 0.00 0.00 0.00 0.00 60.65 62.00 3kip s ILE 97 Cb -0.28 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3kip s ILE 97 CO 0.68 0.38 1.03 -2.84 0.00 0.00 0.00 174.94 174.19 3kip s PRO 98 N 0.21 3.70 0.09 2.79 0.02 -1.26 -4.80 135.00 135.76 3kip s PRO 98 Ca 0.26 1.20 -0.07 0.00 0.02 0.00 0.00 61.00 62.42 3kip s PRO 98 Cb -0.16 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.26 3kip s PRO 98 CO 0.12 -0.49 0.15 -0.59 -0.33 0.00 0.00 177.00 175.86 3kip s PHE 99 N -2.29 0.29 -0.04 6.54 -0.71 -1.26 -0.81 117.98 119.70 3kip s PHE 99 Ca 0.64 -0.73 0.05 0.00 -1.04 0.00 0.00 56.93 55.85 3kip s PHE 99 Cb -0.14 -0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 41.51 3kip s PHE 99 CO 0.27 -0.53 -0.20 0.42 -1.34 0.00 0.00 175.22 173.84 3kip s ILE 100 N -3.90 1.64 -0.14 -4.49 1.01 -0.79 -0.93 121.20 113.60 3kip s ILE 100 Ca 0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 3kip s ILE 100 Cb 0.05 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3kip s ILE 100 CO -0.09 0.46 0.28 -0.70 0.00 0.00 0.00 174.94 174.89 3kip s GLU 101 N -0.21 4.15 -0.11 2.79 2.12 -0.64 -1.15 118.70 125.64 3kip s GLU 101 Ca 0.01 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.43 3kip s GLU 101 Cb -0.11 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.92 3kip s GLU 101 CO 0.01 0.33 -0.13 0.08 -0.54 0.00 0.00 175.26 175.02 3kip s VAL 102 N 0.18 1.34 -0.08 3.70 1.01 -0.18 -1.60 120.40 124.78 3kip s VAL 102 Ca 0.16 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3kip s VAL 102 Cb -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3kip s VAL 102 CO 0.04 0.41 -0.13 -1.00 0.00 0.00 0.00 175.10 174.43 3kip s HIS 103 N 1.24 2.76 0.18 5.22 3.76 -0.55 -4.27 115.29 123.64 3kip s HIS 103 Ca -0.02 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 3kip s HIS 103 Cb -0.14 -1.71 0.08 0.00 1.11 0.00 0.00 32.58 31.92 3kip s HIS 103 CO -0.05 0.06 1.60 0.82 -0.85 0.00 0.00 174.74 176.33 3kip h ILE 104 N 4.71 1.27 -2.37 0.60 2.04 -1.88 -0.79 117.51 121.08 3kip h ILE 104 Ca -0.39 -1.30 -0.55 0.00 1.00 0.00 0.00 64.86 63.61 3kip h ILE 104 Cb 1.17 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 3kip h ILE 104 CO 0.52 0.45 -0.61 0.42 0.00 0.00 0.00 178.15 178.93 3kip s THR 105 N -4.76 3.82 -0.63 -0.27 -4.23 -1.26 -1.71 115.64 106.61 3kip s THR 105 Ca -0.11 -1.64 -0.27 0.00 -1.18 0.00 0.00 61.69 58.49 3kip s THR 105 Cb 0.13 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.96 3kip s THR 105 CO 0.86 -0.30 1.51 0.21 -0.54 0.00 0.00 174.62 176.36 3kip s ASN 106 N -3.54 5.87 0.53 3.99 3.04 -1.26 -3.24 114.94 120.34 3kip s ASN 106 Ca 0.31 0.09 0.23 0.00 0.04 0.00 0.00 52.86 53.52 3kip s ASN 106 Cb -0.08 -2.54 1.37 0.00 -1.54 0.00 0.00 41.25 38.46 3kip s ASN 106 CO 0.21 -1.95 2.05 1.62 -3.04 0.00 0.00 177.10 175.99 3kip h VAL 107 N 6.43 0.80 0.00 -5.21 3.04 -1.92 -1.12 116.25 118.26 3kip h VAL 107 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3kip h VAL 107 Cb 1.10 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3kip h VAL 107 CO 1.22 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 179.19 3kip n HIS 108 N -4.39 0.00 1.28 3.17 8.25 -1.26 -1.40 115.22 120.87 3kip n HIS 108 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 3kip n HIS 108 Cb 0.43 -0.13 0.38 0.00 1.12 0.00 0.00 29.99 31.79 3kip n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kip n GLN 109 N -1.13 1.15 0.00 -0.41 6.02 -0.42 -4.93 117.38 117.65 3kip n GLN 109 Ca 0.13 -0.72 0.00 0.00 -0.01 0.00 0.00 57.00 56.41 3kip n GLN 109 Cb 0.12 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3kip n GLN 109 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kip n ARG 110 N -0.30 3.71 -2.27 -1.09 1.74 -0.50 -5.06 116.66 112.89 3kip n ARG 110 Ca 0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 3kip n ARG 110 Cb 0.37 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.78 3kip n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kip s GLU 111 N 2.25 4.47 0.09 5.56 8.01 -1.26 -4.89 118.70 132.93 3kip s GLU 111 Ca 0.00 2.02 -0.04 0.00 0.01 0.00 0.00 54.97 56.96 3kip s GLU 111 Cb 0.00 -3.15 0.13 0.00 -4.31 0.00 0.00 34.13 26.80 3kip s GLU 111 CO 0.00 -0.06 0.54 -2.30 0.01 0.00 0.00 175.26 173.45 3kip n PRO 112 N 1.44 -0.05 0.29 0.39 -0.02 -1.26 0.17 135.00 135.96 3kip n PRO 112 Ca 0.01 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 3kip n PRO 112 Cb 0.43 -0.81 0.91 0.00 -0.02 0.00 0.00 33.50 34.02 3kip n PRO 112 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kip h PHE 113 N 0.00 0.00 -0.02 6.00 -5.15 -1.97 -0.39 116.94 115.41 3kip h PHE 113 Ca 0.15 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 3kip h PHE 113 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.41 3kip h PHE 113 CO -0.28 0.00 -0.04 0.54 -2.00 0.00 0.00 178.31 176.53 3kip n ARG 114 N -2.77 1.65 0.05 6.09 1.74 0.13 -3.43 116.66 120.13 3kip n ARG 114 Ca -0.02 -1.04 -0.17 0.00 -0.77 0.00 0.00 57.85 55.85 3kip n ARG 114 Cb 0.17 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 3kip n ARG 114 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kip h HIS 115 N 2.53 0.82 -3.64 -1.55 3.86 -1.15 -3.45 115.15 112.57 3kip h HIS 115 Ca 0.00 -0.45 -0.53 0.00 -1.16 0.00 0.00 60.37 58.24 3kip h HIS 115 Cb 0.57 -0.09 0.07 0.00 1.06 0.00 0.00 27.41 29.01 3kip h HIS 115 CO 0.00 1.27 0.71 -0.65 0.86 0.00 0.00 177.93 180.13 3kip s GLN 116 N -3.29 4.28 -0.00 2.45 1.11 -1.22 -5.05 119.66 117.94 3kip s GLN 116 Ca -0.08 2.30 0.00 0.00 0.01 0.00 0.00 55.36 57.59 3kip s GLN 116 Cb 0.08 -3.08 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 3kip s GLN 116 CO 0.89 -0.34 0.00 0.45 0.01 0.00 0.00 175.29 176.30 3kip s SER 117 N -0.02 0.02 0.00 5.90 0.15 -1.26 -4.49 113.70 114.00 3kip s SER 117 Ca 0.55 0.00 0.10 0.00 0.70 0.00 0.00 55.95 57.30 3kip s SER 117 Cb -0.42 -0.01 0.48 0.00 -1.71 0.00 0.00 66.02 64.36 3kip s SER 117 CO 0.49 -0.01 1.33 -1.22 1.20 0.00 0.00 173.24 175.03 3kip n TYR 118 N 3.18 0.12 -0.06 3.44 4.01 -0.19 -4.22 117.16 123.43 3kip n TYR 118 Ca -0.13 -0.06 -0.08 0.00 -0.16 0.00 0.00 57.90 57.47 3kip n TYR 118 Cb 0.59 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.55 3kip n TYR 118 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kip n LEU 119 N -0.28 1.54 -0.27 7.72 4.77 -1.26 -4.69 117.00 124.54 3kip n LEU 119 Ca 0.08 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 3kip n LEU 119 Cb 0.12 -0.12 0.38 0.00 -2.33 0.00 0.00 43.42 41.47 3kip n LEU 119 CO 0.06 0.51 1.22 0.28 -1.33 0.00 0.00 177.39 178.13 3kip h SER 120 N 0.00 0.65 0.67 -1.43 0.02 -1.95 -1.10 113.55 110.40 3kip h SER 120 Ca -0.30 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3kip h SER 120 Cb 1.57 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3kip h SER 120 CO -0.02 0.33 0.00 -0.90 -1.14 0.00 0.00 176.83 175.10 3kip n ASP 121 N -4.56 0.00 -0.11 3.07 5.75 -1.26 -3.40 116.55 116.04 3kip n ASP 121 Ca 0.17 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 55.00 3kip n ASP 121 Cb 0.47 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 3kip n ASP 121 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kip n LYS 122 N -1.33 2.90 -2.85 0.11 4.76 -0.48 -5.02 118.16 116.25 3kip n LYS 122 Ca 0.13 -0.29 -0.33 0.00 -2.87 0.00 0.00 58.31 54.95 3kip n LYS 122 Cb 0.26 -1.04 -0.06 0.00 -1.84 0.00 0.00 35.03 32.35 3kip n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kip s ALA 123 N -1.72 3.14 0.13 7.82 0.00 -0.83 -4.84 121.76 125.47 3kip s ALA 123 Ca 0.06 0.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 3kip s ALA 123 Cb 0.08 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3kip s ALA 123 CO 0.35 0.12 1.77 0.28 0.00 0.00 0.00 175.76 178.28 3kip h VAL 124 N 1.73 1.00 -4.04 0.00 2.07 -1.38 -3.46 116.25 112.16 3kip h VAL 124 Ca -0.48 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 3kip h VAL 124 Cb 1.18 0.70 -0.14 0.00 -1.52 0.00 0.00 31.29 31.52 3kip h VAL 124 CO 0.62 0.05 -0.46 0.00 0.02 0.00 0.00 177.57 177.81 3kip s ALA 125 N -6.17 0.21 -0.18 1.67 0.00 -1.25 -5.07 121.76 110.96 3kip s ALA 125 Ca -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3kip s ALA 125 Cb 0.10 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.95 3kip s ALA 125 CO 0.70 -0.54 -0.08 0.08 0.00 0.00 0.00 175.76 175.92 3kip s VAL 126 N -3.95 1.41 -0.17 0.00 1.01 -1.26 -1.62 120.40 115.81 3kip s VAL 126 Ca 0.15 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 3kip s VAL 126 Cb 0.05 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3kip s VAL 126 CO -0.04 0.15 0.16 -0.63 0.00 0.00 0.00 175.10 174.75 3kip s ILE 127 N 1.50 5.41 -0.21 2.22 1.01 -0.63 -5.00 121.20 125.50 3kip s ILE 127 Ca -0.00 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 3kip s ILE 127 Cb -0.16 -3.48 0.09 0.00 0.01 0.00 0.00 42.46 38.92 3kip s ILE 127 CO -0.08 0.47 0.47 0.00 0.00 0.00 0.00 174.94 175.80 3kip n GLY 129 N 5.15 0.93 1.65 0.00 0.00 -0.30 -4.58 105.19 108.04 3kip n GLY 129 Ca -0.12 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.90 3kip n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kip n LEU 130 N 0.00 4.90 0.00 0.99 7.94 -1.23 -4.56 117.00 125.05 3kip n LEU 130 Ca 0.00 -2.50 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 3kip n LEU 130 Cb 0.00 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.29 3kip n LEU 130 CO 0.00 0.59 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 3kip n GLY 131 N 0.35 0.41 0.26 -3.96 0.00 -0.69 -3.05 105.19 98.52 3kip n GLY 131 Ca 0.25 -0.91 0.10 0.00 0.00 0.00 0.00 46.02 45.46 3kip n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kip h VAL 132 N 0.00 0.88 -0.09 1.61 3.04 -1.95 -0.94 116.25 118.80 3kip h VAL 132 Ca 0.00 -0.13 0.03 0.00 -1.01 0.00 0.00 66.70 65.58 3kip h VAL 132 Cb 0.00 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3kip h VAL 132 CO 0.00 0.04 0.12 0.22 -1.01 0.00 0.00 177.57 176.94 3kip h TYR 133 N 0.00 0.00 -0.92 3.17 3.20 -1.96 -0.73 116.97 119.72 3kip h TYR 133 Ca -0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 3kip h TYR 133 Cb 0.07 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.23 3kip h TYR 133 CO 0.00 0.00 0.50 0.78 -1.64 0.00 0.00 178.16 177.80 3kip h GLY 134 N 0.00 1.61 1.06 1.82 0.00 -1.08 0.24 103.07 106.72 3kip h GLY 134 Ca 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3kip h GLY 134 CO -0.00 -0.13 0.33 -0.97 0.00 0.00 0.00 176.54 175.77 3kip h TYR 135 N 0.60 1.21 -0.06 5.60 0.05 -1.33 -1.85 116.97 121.19 3kip h TYR 135 Ca 0.54 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 59.24 3kip h TYR 135 Cb 0.90 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 3kip h TYR 135 CO -0.07 0.91 0.03 1.15 -1.05 0.00 0.00 178.16 179.13 3kip h THR 136 N 1.16 1.13 -0.24 -2.88 2.02 -0.64 -2.09 112.91 111.37 3kip h THR 136 Ca 0.27 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3kip h THR 136 Cb 0.20 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3kip h THR 136 CO -0.02 0.11 0.09 0.00 0.37 0.00 0.00 175.52 176.06 3kip h ALA 137 N 0.88 0.27 -0.75 6.16 0.00 -1.10 -0.89 119.26 123.83 3kip h ALA 137 Ca 0.02 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.12 3kip h ALA 137 Cb 0.15 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 3kip h ALA 137 CO -0.00 -0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.09 3kip h ALA 138 N 1.14 0.96 -0.39 0.00 0.00 -1.29 -0.68 119.26 119.01 3kip h ALA 138 Ca 0.10 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3kip h ALA 138 Cb 0.06 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kip h ALA 138 CO -0.10 -0.36 -0.30 0.82 0.00 0.00 0.00 179.25 179.31 3kip h ILE 139 N 0.24 1.28 -0.69 0.00 2.04 -0.53 -0.42 117.51 119.42 3kip h ILE 139 Ca 0.43 -1.45 0.10 0.00 1.00 0.00 0.00 64.86 64.94 3kip h ILE 139 Cb 0.75 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3kip h ILE 139 CO -0.55 0.48 0.32 -0.33 0.00 0.00 0.00 178.15 178.08 3kip h GLU 140 N 0.71 0.53 -0.41 2.37 4.39 -0.67 0.43 114.58 121.94 3kip h GLU 140 Ca 0.08 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 3kip h GLU 140 Cb 0.85 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3kip h GLU 140 CO 0.07 0.35 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.32 3kip h TYR 141 N 0.55 0.83 0.58 4.33 5.03 -0.44 -2.10 116.97 125.74 3kip h TYR 141 Ca 0.35 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 3kip h TYR 141 Cb 0.39 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 3kip h TYR 141 CO -0.12 0.84 -0.35 0.00 -1.32 0.00 0.00 178.16 177.21 3kip h ALA 142 N 0.87 -0.88 0.00 1.82 0.00 -0.71 -1.11 119.26 119.25 3kip h ALA 142 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kip h ALA 142 Cb 0.54 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kip h ALA 142 CO 0.03 -1.01 0.00 1.28 0.00 0.00 0.00 179.25 179.55 3kip n LEU 143 N -5.49 0.23 -1.07 0.00 4.77 0.11 -1.69 117.00 113.86 3kip n LEU 143 Ca -0.12 0.60 0.10 0.00 -0.03 0.00 0.00 56.01 56.55 3kip n LEU 143 Cb 0.38 -0.62 0.23 0.00 -2.33 0.00 0.00 43.42 41.08 3kip n LEU 143 CO 0.35 -0.64 0.70 0.59 -1.33 0.00 0.00 177.39 177.05 3kip n ASN 144 N -1.80 3.44 -4.87 -1.43 5.03 -0.43 -4.52 115.26 110.68 3kip n ASN 144 Ca -0.00 -1.96 -0.32 0.00 0.87 0.00 0.00 54.58 53.17 3kip n ASN 144 Cb 0.04 -0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 38.41 3kip n ASN 144 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kip s TYR 145 N -1.13 3.42 -2.00 3.10 5.04 -0.68 -4.89 117.35 120.21 3kip s TYR 145 Ca 0.37 0.89 0.21 0.00 -2.44 0.00 0.00 57.07 56.10 3kip s TYR 145 Cb 0.20 -2.28 1.24 0.00 0.35 0.00 0.00 41.96 41.48 3kip s TYR 145 CO 0.27 0.24 1.62 1.04 -1.34 0.00 0.00 175.55 177.38