#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lib h ASP 2 N 0.00 0.21 0.41 0.00 5.19 -2.02 0.66 116.42 120.88 1lib h ASP 2 Ca 0.00 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1lib h ASP 2 Cb 0.00 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1lib h ASP 2 CO 0.00 0.06 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 1lib h ALA 3 N 1.57 1.00 0.00 3.45 0.00 -2.04 -2.57 119.26 120.67 1lib h ALA 3 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1lib h ALA 3 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1lib h ALA 3 CO -0.43 0.00 -1.23 1.19 0.00 0.00 0.00 179.25 178.77 1lib n PHE 4 N -2.70 0.42 -2.14 0.00 3.72 0.22 -4.97 117.46 112.01 1lib n PHE 4 Ca -0.01 0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1lib n PHE 4 Cb 0.15 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.07 1lib n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1lib s VAL 5 N -3.32 2.89 -5.00 -4.37 1.01 -0.97 -4.57 120.40 106.07 1lib s VAL 5 Ca -0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1lib s VAL 5 Cb 0.13 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1lib s VAL 5 CO 0.82 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.69 1lib n GLY 6 N 1.66 0.82 3.45 4.51 0.00 -0.70 -4.95 105.19 109.99 1lib n GLY 6 Ca 0.04 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1lib n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lib s THR 7 N -1.80 3.44 0.02 2.61 2.01 -1.26 -0.99 115.64 119.66 1lib s THR 7 Ca 0.00 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1lib s THR 7 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1lib s THR 7 CO 0.00 0.53 -0.20 0.26 -0.69 0.00 0.00 174.62 174.52 1lib s TRP 8 N 0.13 1.77 -0.01 4.92 0.52 0.63 -1.05 118.94 125.84 1lib s TRP 8 Ca -0.04 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 55.80 1lib s TRP 8 Cb -0.14 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 1lib s TRP 8 CO 0.04 0.03 -0.22 -1.59 0.02 0.00 0.00 176.95 175.23 1lib s LYS 9 N -0.84 1.78 0.09 4.98 -2.85 0.13 -0.62 119.74 122.40 1lib s LYS 9 Ca 0.07 -0.82 -0.31 0.00 -1.00 0.00 0.00 55.97 53.91 1lib s LYS 9 Cb -0.08 -1.74 -0.07 0.00 -2.06 0.00 0.00 37.83 33.87 1lib s LYS 9 CO 0.01 0.47 1.33 -1.17 0.10 0.00 0.00 175.35 176.09 1lib s LEU 10 N -0.61 4.37 -0.22 2.77 2.96 -1.26 -1.34 118.68 125.35 1lib s LEU 10 Ca 0.09 2.23 -0.05 0.00 -0.22 0.00 0.00 54.13 56.18 1lib s LEU 10 Cb -0.09 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 1lib s LEU 10 CO -0.01 -0.60 -0.23 0.52 -1.32 0.00 0.00 176.35 174.71 1lib n VAL 11 N 3.97 1.21 -3.74 1.68 0.31 0.12 -4.92 118.33 116.96 1lib n VAL 11 Ca 0.11 -0.39 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 1lib n VAL 11 Cb 0.44 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 1lib n VAL 11 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1lib s SER 12 N -6.49 -0.17 -0.02 4.52 1.04 -1.07 -4.98 113.70 106.52 1lib s SER 12 Ca -0.30 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 1lib s SER 12 Cb 0.10 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1lib s SER 12 CO 0.44 -0.92 0.06 -0.55 0.98 0.00 0.00 173.24 173.25 1lib s SER 13 N -2.86 -0.06 -0.08 7.02 0.15 -1.26 -1.12 113.70 115.49 1lib s SER 13 Ca 0.08 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.86 1lib s SER 13 Cb 0.01 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1lib s SER 13 CO -0.07 -0.03 -0.10 -0.70 1.20 0.00 0.00 173.24 173.55 1lib s GLU 14 N 0.10 1.57 -1.87 5.44 2.12 0.22 -4.86 118.70 121.42 1lib s GLU 14 Ca -0.01 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1lib s GLU 14 Cb -0.01 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 32.93 1lib s GLU 14 CO -0.00 -0.10 0.00 0.09 -0.54 0.00 0.00 175.26 174.70 1lib n ASN 15 N 4.31 -5.26 -0.02 -1.70 3.02 -1.26 -1.69 115.26 112.65 1lib n ASN 15 Ca -0.19 0.34 -0.09 0.00 -0.03 0.00 0.00 54.58 54.62 1lib n ASN 15 Cb 0.51 -4.37 0.08 0.00 -0.61 0.00 0.00 39.78 35.38 1lib n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1lib h PHE 16 N 0.00 0.73 -0.62 3.10 3.57 -1.89 -0.96 116.94 120.86 1lib h PHE 16 Ca -0.39 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 60.79 1lib h PHE 16 Cb 1.24 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1lib h PHE 16 CO 0.51 0.94 0.04 0.22 -2.23 0.00 0.00 178.31 177.80 1lib h ASP 17 N 0.49 1.04 -0.70 0.41 3.58 -1.96 -0.95 116.42 118.33 1lib h ASP 17 Ca 0.03 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.16 1lib h ASP 17 Cb 0.97 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1lib h ASP 17 CO 0.09 1.06 0.26 0.44 -2.88 0.00 0.00 179.24 178.21 1lib h ASP 18 N 0.98 0.99 -0.26 2.28 3.32 -1.88 -0.75 116.42 121.10 1lib h ASP 18 Ca 0.18 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1lib h ASP 18 Cb 0.51 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1lib h ASP 18 CO 0.02 0.89 0.11 0.22 -1.72 0.00 0.00 179.24 178.77 1lib h TYR 19 N 1.04 0.39 -0.34 4.55 3.20 -0.77 -2.41 116.97 122.63 1lib h TYR 19 Ca 0.24 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1lib h TYR 19 Cb 0.23 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1lib h TYR 19 CO 0.02 0.39 0.07 0.52 -1.64 0.00 0.00 178.16 177.52 1lib h MET 20 N 0.28 0.50 -0.26 1.82 2.86 -0.83 -1.42 114.93 117.88 1lib h MET 20 Ca 0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1lib h MET 20 Cb 0.16 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1lib h MET 20 CO -0.01 0.47 0.16 0.87 1.06 0.00 0.00 176.91 179.47 1lib h LYS 21 N 0.49 0.35 -0.15 1.72 1.57 -0.97 -0.51 116.57 119.07 1lib h LYS 21 Ca 0.12 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1lib h LYS 21 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1lib h LYS 21 CO -0.00 0.26 -0.11 1.49 -0.57 0.00 0.00 179.45 180.52 1lib h GLU 22 N 0.34 0.23 0.00 3.15 4.57 -0.88 -0.32 114.58 121.66 1lib h GLU 22 Ca 0.09 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1lib h GLU 22 Cb -0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1lib h GLU 22 CO -0.02 0.35 0.00 0.28 -1.18 0.00 0.00 179.01 178.44 1lib n VAL 23 N -4.30 0.51 -1.14 0.32 0.31 -0.60 -4.91 118.33 108.52 1lib n VAL 23 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1lib n VAL 23 Cb 0.25 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1lib n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lib n GLY 24 N 0.81 0.86 3.74 2.92 0.00 -0.13 -5.04 105.19 108.35 1lib n GLY 24 Ca 0.05 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1lib n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lib s VAL 25 N -2.00 4.24 0.70 1.61 1.01 -0.26 -5.02 120.40 120.68 1lib s VAL 25 Ca 0.00 2.05 -0.13 0.00 0.00 0.00 0.00 61.98 63.90 1lib s VAL 25 Cb 0.00 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1lib s VAL 25 CO 0.00 0.40 1.09 -0.83 0.00 0.00 0.00 175.10 175.76 1lib s GLY 26 N -0.58 1.90 0.17 4.51 0.00 -1.26 -4.59 107.32 107.46 1lib s GLY 26 Ca 0.44 0.35 -0.23 0.00 0.00 0.00 0.00 44.72 45.28 1lib s GLY 26 CO 0.31 0.69 1.59 -2.75 0.00 0.00 0.00 173.10 172.94 1lib h PHE 27 N -0.47 -1.00 -0.42 1.90 3.57 -1.98 -0.44 116.94 118.10 1lib h PHE 27 Ca -0.45 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1lib h PHE 27 Cb 1.23 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 1lib h PHE 27 CO 0.57 -0.40 0.25 0.00 -2.23 0.00 0.00 178.31 176.51 1lib h ALA 28 N 0.78 0.54 -0.45 2.41 0.00 -1.99 0.13 119.26 120.67 1lib h ALA 28 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1lib h ALA 28 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1lib h ALA 28 CO -0.61 0.04 -0.07 1.15 0.00 0.00 0.00 179.25 179.76 1lib h THR 29 N 0.56 1.25 -0.84 0.00 2.02 -1.86 -0.66 112.91 113.39 1lib h THR 29 Ca 0.15 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1lib h THR 29 Cb 0.00 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1lib h THR 29 CO -0.03 0.39 0.46 0.03 0.37 0.00 0.00 175.52 176.74 1lib h ARG 30 N 0.73 1.16 -0.21 6.66 3.08 -0.48 0.52 114.38 125.83 1lib h ARG 30 Ca 0.13 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1lib h ARG 30 Cb 0.55 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1lib h ARG 30 CO 0.03 0.85 0.03 0.87 -1.07 0.00 0.00 179.97 180.69 1lib h LYS 31 N 1.16 0.36 -0.46 0.04 1.79 -0.42 0.45 116.57 119.49 1lib h LYS 31 Ca 0.29 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 1lib h LYS 31 Cb 0.03 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1lib h LYS 31 CO -0.05 0.51 0.16 0.28 -1.08 0.00 0.00 179.45 179.27 1lib h VAL 32 N 0.15 1.22 -0.63 0.50 2.07 -0.88 -1.98 116.25 116.71 1lib h VAL 32 Ca 0.06 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1lib h VAL 32 Cb 0.33 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1lib h VAL 32 CO 0.01 0.26 0.32 0.00 0.02 0.00 0.00 177.57 178.17 1lib h ALA 33 N 1.01 0.81 0.00 1.67 0.00 -0.75 -0.20 119.26 121.79 1lib h ALA 33 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1lib h ALA 33 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lib h ALA 33 CO -0.01 0.35 -0.17 0.78 0.00 0.00 0.00 179.25 180.20 1lib h GLY 34 N 0.86 0.00 1.47 0.00 0.00 -0.68 -2.64 103.07 102.07 1lib h GLY 34 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.29 1lib h GLY 34 CO -0.03 0.00 -1.37 -0.33 0.00 0.00 0.00 176.54 174.81 1lib h MET 35 N 0.00 0.02 -0.77 4.80 2.86 -0.62 -3.40 114.93 117.82 1lib h MET 35 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1lib h MET 35 Cb 0.53 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1lib h MET 35 CO 0.02 0.77 0.44 0.00 1.06 0.00 0.00 176.91 179.21 1lib h ALA 36 N 0.96 1.33 -6.79 6.32 0.00 -0.67 -3.48 119.26 116.94 1lib h ALA 36 Ca -0.16 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 1lib h ALA 36 Cb 1.90 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.39 1lib h ALA 36 CO 0.11 0.56 -1.00 1.63 0.00 0.00 0.00 179.25 180.55 1lib n LYS 37 N -4.37 -0.48 -1.86 0.00 5.02 -1.25 -4.75 118.16 110.46 1lib n LYS 37 Ca 0.08 0.18 -0.37 0.00 -2.02 0.00 0.00 58.31 56.18 1lib n LYS 37 Cb 0.08 -2.82 0.04 0.00 -0.02 0.00 0.00 35.03 32.31 1lib n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1lib s PRO 38 N -7.03 3.02 0.74 1.97 0.04 -1.26 -4.73 135.00 127.75 1lib s PRO 38 Ca 0.47 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 1lib s PRO 38 Cb -0.24 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1lib s PRO 38 CO 0.95 -1.23 1.10 -0.80 0.04 0.00 0.00 177.00 177.05 1lib s ASN 39 N -1.21 5.10 -0.09 6.66 0.02 -0.82 -4.24 114.94 120.36 1lib s ASN 39 Ca 0.75 1.20 0.02 0.00 -1.02 0.00 0.00 52.86 53.81 1lib s ASN 39 Cb -0.37 -1.98 0.01 0.00 0.02 0.00 0.00 41.25 38.94 1lib s ASN 39 CO 0.42 -1.57 -0.14 -0.32 0.02 0.00 0.00 177.10 175.50 1lib s MET 40 N -5.28 2.02 -0.16 -0.60 -2.45 0.21 -2.71 119.30 110.32 1lib s MET 40 Ca 0.59 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 54.54 1lib s MET 40 Cb -0.12 -1.69 0.01 0.00 1.25 0.00 0.00 34.83 34.27 1lib s MET 40 CO 0.53 -0.01 -0.18 0.42 1.05 0.00 0.00 175.02 176.82 1lib s ILE 41 N 0.84 2.35 -0.06 10.11 1.01 0.18 -0.27 121.20 135.35 1lib s ILE 41 Ca -0.10 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.74 1lib s ILE 41 Cb -0.15 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1lib s ILE 41 CO 0.01 0.53 -0.25 -0.63 0.00 0.00 0.00 174.94 174.60 1lib s ILE 42 N 0.98 2.08 0.07 2.92 1.01 -0.16 -1.27 121.20 126.83 1lib s ILE 42 Ca -0.02 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 1lib s ILE 42 Cb -0.15 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1lib s ILE 42 CO -0.04 0.57 0.11 -0.94 0.00 0.00 0.00 174.94 174.63 1lib s SER 43 N -0.14 0.25 -0.02 3.58 1.04 -0.74 -1.71 113.70 115.96 1lib s SER 43 Ca -0.04 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.66 1lib s SER 43 Cb -0.14 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 1lib s SER 43 CO 0.04 -0.66 -0.10 -0.69 0.98 0.00 0.00 173.24 172.81 1lib s VAL 44 N -3.77 0.81 -0.24 5.02 1.01 -1.26 -0.93 120.40 121.03 1lib s VAL 44 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1lib s VAL 44 Cb 0.05 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.84 1lib s VAL 44 CO -0.10 0.24 0.17 0.21 0.00 0.00 0.00 175.10 175.62 1lib s ASN 45 N -0.07 2.48 1.48 3.32 3.04 0.00 -5.01 114.94 120.18 1lib s ASN 45 Ca 0.01 -0.82 0.00 0.00 0.04 0.00 0.00 52.86 52.09 1lib s ASN 45 Cb -0.06 -0.02 0.00 0.00 -1.54 0.00 0.00 41.25 39.64 1lib s ASN 45 CO -0.00 -0.39 0.00 0.61 -3.04 0.00 0.00 177.10 174.28 1lib n GLY 46 N 5.28 2.58 1.24 1.21 0.00 -1.26 -1.87 105.19 112.38 1lib n GLY 46 Ca -0.05 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1lib n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lib n ASP 47 N 7.52 4.16 -4.57 1.61 8.00 -1.26 -4.89 116.55 127.13 1lib n ASP 47 Ca 0.00 -2.42 -0.35 0.00 0.71 0.00 0.00 54.79 52.73 1lib n ASP 47 Cb 0.00 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 1lib n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lib s LEU 48 N -1.77 3.65 -0.12 0.64 1.02 -0.78 -4.39 118.68 116.92 1lib s LEU 48 Ca 0.43 -0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.53 1lib s LEU 48 Cb 0.28 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1lib s LEU 48 CO 0.21 0.12 0.03 -0.69 0.02 0.00 0.00 176.35 176.04 1lib s VAL 49 N 0.66 4.53 -0.09 -1.59 1.01 0.04 -0.82 120.40 124.14 1lib s VAL 49 Ca 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1lib s VAL 49 Cb -0.13 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1lib s VAL 49 CO 0.02 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.59 1lib s THR 50 N -0.40 2.57 -0.19 3.92 2.01 -0.11 -1.33 115.64 122.12 1lib s THR 50 Ca 0.08 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1lib s THR 50 Cb -0.12 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1lib s THR 50 CO 0.02 0.56 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 1lib s ILE 51 N 0.01 1.75 -0.02 1.82 1.01 -0.19 -1.79 121.20 123.79 1lib s ILE 51 Ca -0.06 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.68 1lib s ILE 51 Cb -0.15 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1lib s ILE 51 CO 0.05 0.30 -0.15 -0.60 0.00 0.00 0.00 174.94 174.54 1lib s ARG 52 N 1.37 2.37 -0.05 2.79 3.52 -0.40 -1.72 118.95 126.84 1lib s ARG 52 Ca 0.01 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1lib s ARG 52 Cb -0.15 -2.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 1lib s ARG 52 CO -0.10 0.60 -0.21 0.45 -0.81 0.00 0.00 175.30 175.22 1lib s SER 53 N -1.03 2.64 -0.03 -2.12 0.15 -0.48 -0.65 113.70 112.18 1lib s SER 53 Ca 0.13 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1lib s SER 53 Cb -0.11 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1lib s SER 53 CO 0.03 0.21 -0.10 -1.61 1.20 0.00 0.00 173.24 172.96 1lib s GLU 54 N -0.12 1.18 0.34 5.44 2.02 -1.10 -0.98 118.70 125.48 1lib s GLU 54 Ca -0.02 -0.36 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 1lib s GLU 54 Cb -0.12 -1.06 0.02 0.00 0.10 0.00 0.00 34.13 33.06 1lib s GLU 54 CO 0.03 0.11 0.60 -1.54 0.02 0.00 0.00 175.26 174.48 1lib s SER 55 N 0.27 0.39 0.18 -0.19 1.04 -1.04 -1.95 113.70 112.41 1lib s SER 55 Ca -0.05 -1.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.05 1lib s SER 55 Cb -0.10 0.72 0.08 0.00 0.10 0.00 0.00 66.02 66.82 1lib s SER 55 CO 0.01 -1.41 1.64 0.71 0.98 0.00 0.00 173.24 175.16 1lib h THR 56 N 2.09 1.27 0.25 2.02 1.35 -1.97 -3.34 112.91 114.56 1lib h THR 56 Ca -0.29 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 64.37 1lib h THR 56 Cb 1.25 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1lib h THR 56 CO 0.38 0.43 -0.12 0.15 -0.25 0.00 0.00 175.52 176.11 1lib h PHE 57 N 0.95 -0.31 -3.43 4.73 3.57 -1.93 -3.47 116.94 117.06 1lib h PHE 57 Ca 0.16 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 1lib h PHE 57 Cb 0.59 0.10 -0.22 0.00 2.79 0.00 0.00 35.95 39.21 1lib h PHE 57 CO 0.04 -0.19 -0.48 0.15 -2.23 0.00 0.00 178.31 175.60 1lib s LYS 58 N -3.08 0.43 -0.10 1.11 1.02 -1.25 -5.14 119.74 112.72 1lib s LYS 58 Ca -0.05 -0.23 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 1lib s LYS 58 Cb 0.00 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1lib s LYS 58 CO 0.14 -0.10 0.01 -0.80 -0.92 0.00 0.00 175.35 173.69 1lib s ASN 59 N -1.01 5.30 0.19 2.83 0.01 -1.26 -2.49 114.94 118.50 1lib s ASN 59 Ca -0.11 0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.26 1lib s ASN 59 Cb -0.06 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 40.01 1lib s ASN 59 CO 0.01 0.36 -0.14 0.42 -1.51 0.00 0.00 177.10 176.25 1lib s THR 60 N -0.77 1.61 -0.25 1.60 -4.23 -0.15 -4.97 115.64 108.48 1lib s THR 60 Ca 0.12 -2.15 -0.16 0.00 -1.18 0.00 0.00 61.69 58.31 1lib s THR 60 Cb -0.12 -1.98 0.07 0.00 1.34 0.00 0.00 72.50 71.82 1lib s THR 60 CO 0.02 -0.61 0.62 -0.70 -0.54 0.00 0.00 174.62 173.41 1lib s GLU 61 N -3.61 0.66 0.01 3.99 2.12 -1.26 -1.38 118.70 119.23 1lib s GLU 61 Ca 0.21 1.06 0.05 0.00 0.36 0.00 0.00 54.97 56.65 1lib s GLU 61 Cb -0.00 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 1lib s GLU 61 CO 0.05 -0.14 -0.17 0.96 -0.54 0.00 0.00 175.26 175.43 1lib s ILE 62 N 1.27 1.31 -0.04 -3.70 -4.36 -0.70 -4.99 121.20 110.00 1lib s ILE 62 Ca -0.07 -0.84 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 1lib s ILE 62 Cb -0.06 -1.12 -0.00 0.00 1.25 0.00 0.00 42.46 42.54 1lib s ILE 62 CO -0.13 0.26 -0.14 -0.44 0.24 0.00 0.00 174.94 174.73 1lib s SER 63 N -0.67 1.74 0.17 4.36 0.01 -1.26 -1.02 113.70 117.03 1lib s SER 63 Ca 0.06 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 56.84 1lib s SER 63 Cb -0.07 -0.47 0.04 0.00 0.21 0.00 0.00 66.02 65.73 1lib s SER 63 CO 0.00 0.12 0.53 0.72 0.41 0.00 0.00 173.24 175.02 1lib s PHE 64 N 0.10 -0.30 -0.12 2.43 -0.71 -0.44 -4.96 117.98 113.98 1lib s PHE 64 Ca -0.03 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.81 1lib s PHE 64 Cb -0.10 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1lib s PHE 64 CO 0.01 -0.86 0.07 0.21 -1.34 0.00 0.00 175.22 173.31 1lib s LYS 65 N -3.81 3.35 0.04 1.99 2.20 -1.26 -0.78 119.74 121.47 1lib s LYS 65 Ca 0.05 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 1lib s LYS 65 Cb -0.01 -3.03 -0.08 0.00 -1.51 0.00 0.00 37.83 33.21 1lib s LYS 65 CO -0.08 0.65 1.64 -0.51 -0.36 0.00 0.00 175.35 176.69 1lib s LEU 66 N -0.71 4.36 0.00 5.43 1.43 -1.26 -2.54 118.68 125.39 1lib s LEU 66 Ca 0.12 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1lib s LEU 66 Cb -0.12 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1lib s LEU 66 CO 0.03 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1lib n GLY 67 N 4.00 0.40 3.39 -3.19 0.00 0.09 -4.96 105.19 104.93 1lib n GLY 67 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1lib n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lib s VAL 68 N -2.12 3.84 0.39 1.61 1.01 -1.05 -4.97 120.40 119.11 1lib s VAL 68 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 1lib s VAL 68 Cb 0.00 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1lib s VAL 68 CO 0.00 0.40 1.33 -0.70 0.00 0.00 0.00 175.10 176.13 1lib s GLU 69 N 1.37 4.03 0.17 2.72 2.12 -1.26 -4.69 118.70 123.17 1lib s GLU 69 Ca 0.05 2.23 -0.09 0.00 0.36 0.00 0.00 54.97 57.52 1lib s GLU 69 Cb -0.15 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.40 1lib s GLU 69 CO 0.01 -0.46 0.29 -0.59 -0.54 0.00 0.00 175.26 173.96 1lib s PHE 70 N -1.22 0.44 0.01 5.30 -0.71 0.09 -4.96 117.98 116.94 1lib s PHE 70 Ca 0.55 -0.80 -0.23 0.00 -1.04 0.00 0.00 56.93 55.41 1lib s PHE 70 Cb -0.40 -0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.29 1lib s PHE 70 CO 0.52 -0.74 0.70 -0.51 -1.34 0.00 0.00 175.22 173.85 1lib s ASP 71 N -2.98 7.10 -0.01 1.98 1.01 -1.26 -0.68 116.67 121.83 1lib s ASP 71 Ca 0.19 1.32 0.04 0.00 0.71 0.00 0.00 52.55 54.80 1lib s ASP 71 Cb 0.03 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 1lib s ASP 71 CO 0.01 0.02 -0.12 -0.70 0.21 0.00 0.00 175.17 174.60 1lib s GLU 72 N 0.03 0.94 -0.23 8.23 2.12 -0.35 -4.94 118.70 124.51 1lib s GLU 72 Ca 0.36 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.23 1lib s GLU 72 Cb -0.19 -0.91 -0.01 0.00 0.26 0.00 0.00 34.13 33.27 1lib s GLU 72 CO 0.20 0.25 -0.00 0.42 -0.54 0.00 0.00 175.26 175.59 1lib s ILE 73 N -0.26 3.67 0.80 -3.70 1.01 -1.26 -0.46 121.20 120.99 1lib s ILE 73 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1lib s ILE 73 Cb -0.05 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1lib s ILE 73 CO -0.00 0.37 1.12 0.42 0.00 0.00 0.00 174.94 176.85 1lib s THR 74 N 1.52 2.72 0.39 2.92 -4.23 -0.13 -4.90 115.64 113.93 1lib s THR 74 Ca 0.06 0.24 0.11 0.00 -1.18 0.00 0.00 61.69 60.91 1lib s THR 74 Cb -0.15 -3.10 0.32 0.00 1.34 0.00 0.00 72.50 70.91 1lib s THR 74 CO -0.01 -0.31 1.93 0.00 -0.54 0.00 0.00 174.62 175.70 1lib h ALA 75 N -1.06 1.89 -0.29 3.99 0.00 -1.96 0.15 119.26 121.99 1lib h ALA 75 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1lib h ALA 75 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lib h ALA 75 CO 0.62 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 1lib n ASP 76 N -4.50 2.58 -2.40 0.00 5.75 -1.26 -4.89 116.55 111.83 1lib n ASP 76 Ca 0.13 -2.24 -0.17 0.00 -0.01 0.00 0.00 54.79 52.49 1lib n ASP 76 Cb 0.38 -0.43 0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1lib n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lib n ASP 77 N 0.36 -5.12 -4.86 -1.12 8.00 0.54 -5.03 116.55 109.32 1lib n ASP 77 Ca 0.12 -0.23 -0.32 0.00 0.71 0.00 0.00 54.79 55.07 1lib n ASP 77 Cb 0.51 -3.96 -0.05 0.00 -0.02 0.00 0.00 41.12 37.60 1lib n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1lib s ARG 78 N -5.45 3.89 -0.26 -1.24 0.52 -1.26 -4.83 118.95 110.32 1lib s ARG 78 Ca 0.24 0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 55.89 1lib s ARG 78 Cb -0.11 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 1lib s ARG 78 CO 0.30 0.17 0.03 0.21 0.02 0.00 0.00 175.30 176.03 1lib s LYS 79 N -3.10 3.26 0.24 3.54 2.20 -1.26 -0.96 119.74 123.66 1lib s LYS 79 Ca 0.51 -0.72 0.05 0.00 -0.36 0.00 0.00 55.97 55.45 1lib s LYS 79 Cb -0.11 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1lib s LYS 79 CO 0.21 -0.32 -0.03 0.14 -0.36 0.00 0.00 175.35 175.00 1lib s VAL 80 N 1.50 1.25 -0.22 4.02 -7.23 0.39 -4.84 120.40 115.26 1lib s VAL 80 Ca 0.04 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1lib s VAL 80 Cb -0.16 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1lib s VAL 80 CO 0.00 -0.36 0.10 -0.54 -0.31 0.00 0.00 175.10 173.99 1lib s LYS 81 N -3.81 3.91 0.10 4.82 -0.14 -0.54 -1.21 119.74 122.88 1lib s LYS 81 Ca 0.28 -0.36 0.10 0.00 -1.36 0.00 0.00 55.97 54.63 1lib s LYS 81 Cb 0.05 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 1lib s LYS 81 CO 0.09 0.05 -0.25 -1.12 -0.76 0.00 0.00 175.35 173.37 1lib s SER 82 N 1.01 3.43 -0.02 2.83 0.01 0.14 -1.15 113.70 119.95 1lib s SER 82 Ca 0.05 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1lib s SER 82 Cb -0.14 -0.32 0.02 0.00 0.21 0.00 0.00 66.02 65.79 1lib s SER 82 CO 0.03 0.20 -0.01 -0.51 0.41 0.00 0.00 173.24 173.37 1lib s ILE 83 N -1.01 0.18 -0.10 1.44 2.07 -0.80 -0.73 121.20 122.25 1lib s ILE 83 Ca 0.14 0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 1lib s ILE 83 Cb -0.10 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.24 1lib s ILE 83 CO 0.06 0.13 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.38 1lib s ILE 84 N 0.80 1.79 0.26 2.00 1.01 -1.26 -1.37 121.20 124.43 1lib s ILE 84 Ca -0.08 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.80 1lib s ILE 84 Cb -0.11 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1lib s ILE 84 CO -0.01 0.50 -0.11 0.42 0.00 0.00 0.00 174.94 175.74 1lib s THR 85 N 0.57 1.86 -0.33 2.92 -4.23 -0.66 -0.73 115.64 115.04 1lib s THR 85 Ca -0.15 -2.20 -0.09 0.00 -1.18 0.00 0.00 61.69 58.07 1lib s THR 85 Cb -0.17 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1lib s THR 85 CO 0.05 -0.40 0.15 -0.22 -0.54 0.00 0.00 174.62 173.66 1lib s LEU 86 N -3.43 4.26 -0.10 4.79 2.96 -1.26 -0.88 118.68 125.02 1lib s LEU 86 Ca 0.28 -0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1lib s LEU 86 Cb 0.01 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.75 1lib s LEU 86 CO 0.11 -0.26 0.02 -1.81 -1.32 0.00 0.00 176.35 173.09 1lib s ASP 87 N 1.56 1.86 -1.52 3.68 1.01 -0.36 -4.81 116.67 118.09 1lib s ASP 87 Ca 0.03 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.05 1lib s ASP 87 Cb -0.18 -0.44 0.00 0.00 1.01 0.00 0.00 42.92 43.31 1lib s ASP 87 CO 0.06 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1lib n GLY 88 N 5.14 -0.32 2.36 0.21 0.00 -1.26 -1.31 105.19 110.01 1lib n GLY 88 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1lib n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lib n GLY 89 N -1.01 0.58 3.57 -0.02 0.00 -1.26 -5.03 105.19 102.02 1lib n GLY 89 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1lib n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lib s ALA 90 N -2.42 2.94 -0.23 4.61 0.00 -0.43 -4.68 121.76 121.55 1lib s ALA 90 Ca 0.00 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.48 1lib s ALA 90 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1lib s ALA 90 CO 0.00 0.63 0.67 -0.51 0.00 0.00 0.00 175.76 176.55 1lib s LEU 91 N -2.25 4.09 -0.21 0.00 1.43 -0.46 -1.22 118.68 120.05 1lib s LEU 91 Ca 0.21 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1lib s LEU 91 Cb -0.11 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 1lib s LEU 91 CO 0.14 -0.37 -0.07 -0.69 0.23 0.00 0.00 176.35 175.59 1lib s VAL 92 N 2.38 3.17 -0.11 -1.59 1.01 -0.06 -1.23 120.40 123.97 1lib s VAL 92 Ca 0.29 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1lib s VAL 92 Cb -0.16 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1lib s VAL 92 CO 0.09 0.45 -0.10 -1.58 0.00 0.00 0.00 175.10 173.95 1lib s GLN 93 N 1.38 3.18 -0.11 2.72 0.74 0.08 -1.65 119.66 125.99 1lib s GLN 93 Ca 0.05 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 54.85 1lib s GLN 93 Cb -0.14 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.33 1lib s GLN 93 CO -0.04 0.37 -0.20 0.08 -0.55 0.00 0.00 175.29 174.95 1lib s VAL 94 N -0.03 2.46 -0.10 1.34 1.01 -0.47 -0.67 120.40 123.94 1lib s VAL 94 Ca -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1lib s VAL 94 Cb -0.14 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1lib s VAL 94 CO 0.04 0.55 -0.17 -1.10 0.00 0.00 0.00 175.10 174.41 1lib s GLN 95 N 0.35 3.02 -0.05 2.72 -0.21 -0.59 -1.91 119.66 122.99 1lib s GLN 95 Ca -0.16 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1lib s GLN 95 Cb -0.17 -2.45 -0.00 0.00 1.00 0.00 0.00 33.01 31.38 1lib s GLN 95 CO 0.07 0.32 -0.18 0.15 -2.12 0.00 0.00 175.29 173.53 1lib s LYS 96 N 0.04 2.00 -0.21 2.91 1.02 -0.30 -1.60 119.74 123.60 1lib s LYS 96 Ca -0.06 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 55.00 1lib s LYS 96 Cb -0.15 -1.69 0.07 0.00 -0.52 0.00 0.00 37.83 35.54 1lib s LYS 96 CO 0.05 0.24 0.72 1.67 -0.92 0.00 0.00 175.35 177.11 1lib s TRP 97 N 0.09 -0.74 -1.53 3.18 -2.14 -0.68 -1.47 118.94 115.66 1lib s TRP 97 Ca -0.06 1.68 -0.16 0.00 2.66 0.00 0.00 56.10 60.22 1lib s TRP 97 Cb -0.13 0.31 0.14 0.00 -3.10 0.00 0.00 33.47 30.69 1lib s TRP 97 CO 0.03 -0.44 0.65 -0.25 -2.66 0.00 0.00 176.95 174.28 1lib n ASP 98 N 2.19 -3.11 0.00 -2.66 8.00 -1.26 -0.11 116.55 119.61 1lib n ASP 98 Ca -0.15 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1lib n ASP 98 Cb 0.56 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.08 1lib n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lib n GLY 99 N -1.24 0.67 3.78 0.44 0.00 -1.26 -5.02 105.19 102.56 1lib n GLY 99 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1lib n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lib s LYS 100 N -0.13 2.47 0.04 1.61 1.02 0.84 -5.14 119.74 120.45 1lib s LYS 100 Ca 0.00 -1.49 -0.12 0.00 0.02 0.00 0.00 55.97 54.38 1lib s LYS 100 Cb 0.00 -2.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1lib s LYS 100 CO 0.00 0.07 0.27 -1.54 -0.92 0.00 0.00 175.35 173.23 1lib s SER 101 N -3.91 -0.07 0.03 2.83 1.04 -1.26 -1.68 113.70 110.68 1lib s SER 101 Ca 0.39 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1lib s SER 101 Cb -0.03 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 1lib s SER 101 CO 0.24 -0.59 -0.05 0.28 0.98 0.00 0.00 173.24 174.11 1lib s THR 102 N -2.49 0.26 -0.09 2.02 -1.32 -0.62 -4.76 115.64 108.62 1lib s THR 102 Ca -0.05 -1.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1lib s THR 102 Cb -0.01 -0.42 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 1lib s THR 102 CO -0.03 -0.48 -0.12 -0.89 -2.21 0.00 0.00 174.62 170.89 1lib s THR 103 N -1.52 3.18 -0.16 5.08 2.01 -1.04 -1.55 115.64 121.65 1lib s THR 103 Ca -0.13 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1lib s THR 103 Cb -0.09 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1lib s THR 103 CO -0.01 0.56 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.65 1lib s ILE 104 N -0.18 2.01 -0.15 1.82 1.01 0.16 -0.88 121.20 125.00 1lib s ILE 104 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1lib s ILE 104 Cb -0.13 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1lib s ILE 104 CO 0.03 0.53 -0.07 -0.75 0.00 0.00 0.00 174.94 174.68 1lib s LYS 105 N 1.16 3.56 -0.17 2.79 2.20 0.16 -0.74 119.74 128.71 1lib s LYS 105 Ca 0.01 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1lib s LYS 105 Cb -0.14 -2.81 0.01 0.00 -1.51 0.00 0.00 37.83 33.38 1lib s LYS 105 CO -0.09 0.23 -0.17 1.03 -0.36 0.00 0.00 175.35 175.99 1lib s ARG 106 N 0.35 3.12 0.04 4.03 0.52 -0.37 -1.37 118.95 125.27 1lib s ARG 106 Ca -0.07 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 1lib s ARG 106 Cb -0.15 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1lib s ARG 106 CO 0.04 -0.08 0.03 -1.59 0.02 0.00 0.00 175.30 173.72 1lib s LYS 107 N 1.03 0.57 0.19 3.54 -2.85 -0.22 -1.36 119.74 120.64 1lib s LYS 107 Ca -0.01 -0.93 -0.18 0.00 -1.00 0.00 0.00 55.97 53.85 1lib s LYS 107 Cb -0.15 0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 35.76 1lib s LYS 107 CO -0.05 -0.13 0.65 1.03 0.10 0.00 0.00 175.35 176.96 1lib s ARG 108 N -3.02 4.14 -0.26 1.78 1.81 -1.26 -0.65 118.95 121.50 1lib s ARG 108 Ca -0.01 0.72 -0.03 0.00 -1.72 0.00 0.00 55.73 54.68 1lib s ARG 108 Cb 0.01 -2.92 0.10 0.00 -0.45 0.00 0.00 34.95 31.70 1lib s ARG 108 CO -0.07 0.44 0.19 0.34 -0.68 0.00 0.00 175.30 175.53 1lib s ASP 109 N -1.65 2.36 1.61 0.23 -1.08 -0.50 -4.89 116.67 112.75 1lib s ASP 109 Ca 0.40 -0.81 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1lib s ASP 109 Cb -0.16 0.08 0.00 0.00 -1.46 0.00 0.00 42.92 41.38 1lib s ASP 109 CO 0.20 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 176.11 1lib n GLY 110 N 5.29 2.53 0.78 2.66 0.00 -1.26 -1.31 105.19 113.88 1lib n GLY 110 Ca -0.05 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1lib n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lib n ASP 111 N 5.35 2.34 -4.94 1.61 5.75 -1.26 -4.95 116.55 120.45 1lib n ASP 111 Ca 0.00 -1.83 -0.20 0.00 -0.01 0.00 0.00 54.79 52.75 1lib n ASP 111 Cb 0.00 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 39.91 1lib n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1lib s LYS 112 N -1.67 3.04 -0.16 0.11 -0.14 -0.43 -4.58 119.74 115.92 1lib s LYS 112 Ca 0.34 -1.06 -0.02 0.00 -1.36 0.00 0.00 55.97 53.87 1lib s LYS 112 Cb 0.19 -2.72 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 1lib s LYS 112 CO 0.28 0.15 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.75 1lib s LEU 113 N -4.07 2.85 -0.14 3.17 0.20 -0.52 -1.40 118.68 118.76 1lib s LEU 113 Ca 0.41 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.91 1lib s LEU 113 Cb -0.08 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1lib s LEU 113 CO 0.29 0.12 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.68 1lib s VAL 114 N 0.62 3.29 -0.21 1.68 1.01 0.18 -0.36 120.40 126.62 1lib s VAL 114 Ca -0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1lib s VAL 114 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1lib s VAL 114 CO 0.03 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 1lib s VAL 115 N 0.41 3.54 -0.13 2.92 1.01 0.24 -1.05 120.40 127.34 1lib s VAL 115 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1lib s VAL 115 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1lib s VAL 115 CO 0.04 0.43 -0.15 -0.70 0.00 0.00 0.00 175.10 174.72 1lib s GLU 116 N 1.21 3.29 -0.07 2.72 2.12 -0.47 -0.79 118.70 126.71 1lib s GLU 116 Ca 0.03 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1lib s GLU 116 Cb -0.14 -2.57 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 1lib s GLU 116 CO -0.01 0.18 -0.22 0.00 -0.54 0.00 0.00 175.26 174.66 1lib s VAL 118 N 0.14 1.26 -0.14 0.00 1.01 -0.06 -1.16 120.40 121.45 1lib s VAL 118 Ca -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1lib s VAL 118 Cb -0.15 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.14 1lib s VAL 118 CO 0.06 0.38 0.07 -0.32 0.00 0.00 0.00 175.10 175.29 1lib s MET 119 N 0.65 0.14 -1.08 2.72 1.75 -0.49 -2.49 119.30 120.49 1lib s MET 119 Ca -0.15 -0.02 -0.28 0.00 -1.25 0.00 0.00 55.69 53.99 1lib s MET 119 Cb -0.16 -1.55 0.04 0.00 2.84 0.00 0.00 34.83 36.00 1lib s MET 119 CO 0.04 -0.58 0.62 0.36 -0.65 0.00 0.00 175.02 174.82 1lib n LYS 120 N 5.25 -0.44 0.00 4.11 2.85 -1.26 -1.33 118.16 127.33 1lib n LYS 120 Ca -0.06 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1lib n LYS 120 Cb 0.49 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 1lib n LYS 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1lib n GLY 121 N -1.97 2.65 3.67 2.58 0.00 -1.26 -4.99 105.19 105.88 1lib n GLY 121 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1lib n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lib s VAL 122 N -2.69 5.04 -0.09 1.61 1.01 -0.44 -5.08 120.40 119.76 1lib s VAL 122 Ca 0.00 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.19 1lib s VAL 122 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1lib s VAL 122 CO 0.00 0.14 -0.20 0.42 0.00 0.00 0.00 175.10 175.46 1lib s THR 123 N 1.70 2.46 -0.02 3.92 -4.23 -1.26 -1.40 115.64 116.80 1lib s THR 123 Ca 0.29 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1lib s THR 123 Cb -0.16 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1lib s THR 123 CO 0.11 0.56 -0.09 -0.55 -0.54 0.00 0.00 174.62 174.11 1lib s SER 124 N 0.03 4.46 -0.11 3.99 0.15 -0.31 -4.71 113.70 117.19 1lib s SER 124 Ca -0.08 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1lib s SER 124 Cb -0.15 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.14 1lib s SER 124 CO 0.05 0.32 -0.19 -0.89 1.20 0.00 0.00 173.24 173.73 1lib s THR 125 N -0.89 1.73 -0.06 6.45 2.01 -0.68 -1.32 115.64 122.88 1lib s THR 125 Ca 0.14 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1lib s THR 125 Cb -0.11 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1lib s THR 125 CO 0.04 0.49 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.10 1lib s ARG 126 N 0.72 2.51 -0.09 4.92 0.52 0.03 -0.61 118.95 126.94 1lib s ARG 126 Ca -0.11 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 1lib s ARG 126 Cb -0.16 -2.08 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 1lib s ARG 126 CO 0.02 0.32 -0.14 0.08 0.02 0.00 0.00 175.30 175.60 1lib s VAL 127 N -0.03 2.99 0.12 3.52 1.01 -0.27 -0.59 120.40 127.14 1lib s VAL 127 Ca -0.07 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.30 1lib s VAL 127 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1lib s VAL 127 CO 0.04 0.55 -0.25 -0.31 0.00 0.00 0.00 175.10 175.13 1lib s TYR 128 N -0.10 2.17 0.26 5.22 1.51 0.51 -0.70 117.35 126.22 1lib s TYR 128 Ca -0.02 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1lib s TYR 128 Cb -0.14 -1.19 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1lib s TYR 128 CO 0.04 0.29 -0.12 -1.83 -1.11 0.00 0.00 175.55 172.82 1lib s GLU 129 N -1.95 1.51 0.32 -0.62 -1.05 -0.45 -1.44 118.70 115.03 1lib s GLU 129 Ca 0.12 -1.72 -0.29 0.00 -0.15 0.00 0.00 54.97 52.93 1lib s GLU 129 Cb -0.10 -1.28 -0.10 0.00 -0.44 0.00 0.00 34.13 32.20 1lib s GLU 129 CO 0.05 0.15 1.30 1.03 0.95 0.00 0.00 175.26 178.74 1lib s ARG 130 N -3.65 4.36 0.00 -4.83 0.52 -1.26 -0.70 118.95 113.39 1lib s ARG 130 Ca 0.27 2.20 0.28 0.00 -0.52 0.00 0.00 55.73 57.96 1lib s ARG 130 Cb 0.01 -3.08 1.67 0.00 0.52 0.00 0.00 34.95 34.07 1lib s ARG 130 CO 0.11 -0.18 2.02 0.00 0.02 0.00 0.00 175.30 177.26