#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c2t n GLY 2 N 0.00 -1.34 3.54 2.92 0.00 -1.26 -4.89 105.19 104.16 2c2t n GLY 2 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 2c2t n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c2t s SER 3 N -3.15 -0.58 0.24 1.61 0.15 -1.26 -4.03 113.70 106.68 2c2t s SER 3 Ca 0.11 0.66 0.08 0.00 0.70 0.00 0.00 55.95 57.50 2c2t s SER 3 Cb 0.17 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.94 2c2t s SER 3 CO 0.66 -0.52 -0.11 -0.76 1.20 0.00 0.00 173.24 173.71 2c2t s LEU 4 N -1.10 2.53 -0.02 3.45 1.43 -1.00 -4.68 118.68 119.29 2c2t s LEU 4 Ca -0.08 -1.09 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 2c2t s LEU 4 Cb -0.00 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 2c2t s LEU 4 CO 0.07 -0.22 -0.13 0.20 0.23 0.00 0.00 176.35 176.50 2c2t s ASN 5 N -3.39 1.65 0.05 2.29 0.01 -0.60 -2.14 114.94 112.81 2c2t s ASN 5 Ca 0.26 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 52.17 2c2t s ASN 5 Cb 0.01 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.28 2c2t s ASN 5 CO 0.10 0.13 0.07 0.00 -1.51 0.00 0.00 177.10 175.89 2c2t s ILE 7 N -1.30 0.04 0.05 0.00 2.07 -0.57 -0.69 121.20 120.80 2c2t s ILE 7 Ca 0.27 0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.47 2c2t s ILE 7 Cb -0.12 -0.14 0.03 0.00 0.13 0.00 0.00 42.46 42.36 2c2t s ILE 7 CO 0.19 0.10 0.38 0.54 -1.91 0.00 0.00 174.94 174.23 2c2t s VAL 8 N 0.86 0.07 -0.07 4.00 0.11 -0.55 -4.54 120.40 120.29 2c2t s VAL 8 Ca -0.08 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 2c2t s VAL 8 Cb -0.11 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2c2t s VAL 8 CO -0.02 -0.30 -0.24 0.00 -3.33 0.00 0.00 175.10 171.21 2c2t s ALA 9 N -2.65 2.13 -0.09 1.54 0.00 -1.26 -1.16 121.76 120.27 2c2t s ALA 9 Ca -0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 2c2t s ALA 9 Cb -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.46 2c2t s ALA 9 CO -0.04 0.38 0.23 0.54 0.00 0.00 0.00 175.76 176.87 2c2t s VAL 10 N -0.04 -0.02 0.95 0.00 0.11 -0.21 -4.65 120.40 116.54 2c2t s VAL 10 Ca -0.07 0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 58.90 2c2t s VAL 10 Cb -0.15 -0.33 0.17 0.00 -1.53 0.00 0.00 36.38 34.54 2c2t s VAL 10 CO 0.05 0.03 1.19 -0.94 -3.33 0.00 0.00 175.10 172.09 2c2t s SER 11 N 0.60 3.19 0.39 3.54 1.04 -0.39 -1.37 113.70 120.71 2c2t s SER 11 Ca -0.04 0.71 0.06 0.00 0.48 0.00 0.00 55.95 57.16 2c2t s SER 11 Cb -0.05 -1.10 0.80 0.00 0.10 0.00 0.00 66.02 65.77 2c2t s SER 11 CO -0.03 -2.73 2.03 1.56 0.98 0.00 0.00 173.24 175.05 2c2t h GLN 12 N -1.62 0.59 -0.83 4.02 4.20 -0.87 0.62 115.11 121.22 2c2t h GLN 12 Ca -0.47 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 2c2t h GLN 12 Cb 1.30 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 2c2t h GLN 12 CO 0.53 0.41 0.00 0.27 -0.67 0.00 0.00 178.83 179.37 2c2t n ASN 13 N -4.45 3.00 -0.71 1.46 6.94 -1.26 -4.89 115.26 115.35 2c2t n ASN 13 Ca 0.03 -2.39 -0.09 0.00 -0.02 0.00 0.00 54.58 52.11 2c2t n ASN 13 Cb 0.07 -0.58 -0.04 0.00 -2.36 0.00 0.00 39.78 36.88 2c2t n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2c2t n MET 14 N 0.26 -0.71 -2.90 -3.83 2.81 0.21 -4.98 117.12 107.98 2c2t n MET 14 Ca 0.12 0.80 -0.38 0.00 -1.81 0.00 0.00 57.70 56.43 2c2t n MET 14 Cb 0.65 -4.71 -0.06 0.00 -0.71 0.00 0.00 33.22 28.39 2c2t n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2c2t s GLY 15 N -2.83 2.87 0.00 3.03 0.00 -1.25 -0.75 107.32 108.38 2c2t s GLY 15 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2c2t s GLY 15 CO 0.00 0.89 0.00 0.29 0.00 0.00 0.00 173.10 174.28 2c2t n ILE 16 N 1.11 0.00 -3.75 0.90 -5.35 0.38 -1.26 119.36 111.40 2c2t n ILE 16 Ca -0.02 -0.12 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 2c2t n ILE 16 Cb 0.49 0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 38.90 2c2t n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2c2t s GLY 17 N -1.45 -0.12 -0.17 3.28 0.00 -1.06 -4.41 107.32 103.39 2c2t s GLY 17 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.64 2c2t s GLY 17 CO 0.00 -0.22 0.38 1.25 0.00 0.00 0.00 173.10 174.50 2c2t s LYS 18 N -2.61 0.30 -1.44 2.90 2.20 0.28 -0.74 119.74 120.63 2c2t s LYS 18 Ca -0.05 0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 56.35 2c2t s LYS 18 Cb -0.01 0.14 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 2c2t s LYS 18 CO -0.04 -0.23 1.06 0.09 -0.36 0.00 0.00 175.35 175.87 2c2t n ASN 19 N 5.01 -5.16 -0.05 1.43 3.02 -1.26 -1.79 115.26 116.47 2c2t n ASN 19 Ca -0.13 -0.68 -0.01 0.00 -0.03 0.00 0.00 54.58 53.74 2c2t n ASN 19 Cb 0.51 -4.42 -0.00 0.00 -0.61 0.00 0.00 39.78 35.26 2c2t n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c2t n GLY 20 N -1.80 0.45 0.78 7.41 0.00 -1.26 -4.98 105.19 105.78 2c2t n GLY 20 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2c2t n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c2t n ASP 21 N 0.06 -0.20 -4.82 1.61 -0.08 -0.74 -4.68 116.55 107.70 2c2t n ASP 21 Ca -0.01 -1.51 -0.33 0.00 -1.51 0.00 0.00 54.79 51.43 2c2t n ASP 21 Cb 0.10 0.44 -0.04 0.00 2.34 0.00 0.00 41.12 43.96 2c2t n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2c2t s LEU 22 N 0.00 3.77 0.47 -2.67 1.43 -1.26 -0.56 118.68 119.86 2c2t s LEU 22 Ca 0.09 1.74 0.27 0.00 -1.03 0.00 0.00 54.13 55.19 2c2t s LEU 22 Cb 0.00 -4.54 0.96 0.00 0.03 0.00 0.00 46.19 42.65 2c2t s LEU 22 CO 0.06 -0.64 1.83 -0.65 0.23 0.00 0.00 176.35 177.18 2c2t h PRO 23 N 1.34 0.00 -6.17 1.29 0.11 -1.84 -3.40 132.00 123.33 2c2t h PRO 23 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2c2t h PRO 23 Cb 1.20 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2c2t h PRO 23 CO 0.60 0.14 -0.59 1.67 -0.21 0.00 0.00 178.00 179.61 2c2t s TRP 24 N -3.57 2.77 0.78 0.65 -2.14 -1.26 -4.79 118.94 111.38 2c2t s TRP 24 Ca 0.02 -0.25 -0.14 0.00 2.66 0.00 0.00 56.10 58.39 2c2t s TRP 24 Cb 0.09 -1.36 0.07 0.00 -3.10 0.00 0.00 33.47 29.17 2c2t s TRP 24 CO 0.61 0.52 1.20 -2.14 -2.66 0.00 0.00 176.95 174.49 2c2t s PRO 25 N -3.75 1.85 0.28 3.25 0.02 -1.26 -4.90 135.00 130.48 2c2t s PRO 25 Ca 0.33 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 2c2t s PRO 25 Cb -0.06 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 2c2t s PRO 25 CO 0.22 -2.05 1.56 -1.25 -0.33 0.00 0.00 177.00 175.15 2c2t s PRO 26 N -4.08 4.16 -0.33 5.54 0.04 -1.26 -4.98 135.00 134.09 2c2t s PRO 26 Ca 0.73 2.51 -0.02 0.00 0.04 0.00 0.00 61.00 64.27 2c2t s PRO 26 Cb -0.28 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.27 2c2t s PRO 26 CO 0.49 -0.59 0.05 -0.51 0.04 0.00 0.00 177.00 176.48 2c2t s LEU 27 N -0.40 4.24 0.10 -3.56 1.43 -1.26 -5.00 118.68 114.24 2c2t s LEU 27 Ca 0.63 -1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 2c2t s LEU 27 Cb -0.46 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 2c2t s LEU 27 CO 0.46 -0.33 1.66 -0.09 0.23 0.00 0.00 176.35 178.28 2c2t h ARG 28 N 8.00 0.33 0.00 1.70 9.65 -1.98 -0.98 114.38 131.11 2c2t h ARG 28 Ca -0.19 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.52 2c2t h ARG 28 Cb 1.06 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.56 2c2t h ARG 28 CO 0.57 0.36 -0.59 -0.91 2.80 0.00 0.00 179.97 182.21 2c2t h ASN 29 N 0.23 0.00 -0.30 -3.80 2.35 -1.98 -0.51 115.58 111.57 2c2t h ASN 29 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2c2t h ASN 29 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2c2t h ASN 29 CO -0.01 0.59 0.05 -0.08 -1.65 0.00 0.00 177.43 176.33 2c2t h GLU 30 N 0.00 0.49 -0.66 0.81 4.22 -1.94 -0.06 114.58 117.44 2c2t h GLU 30 Ca -0.01 -0.13 0.04 0.00 0.08 0.00 0.00 59.36 59.35 2c2t h GLU 30 Cb 1.23 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2c2t h GLU 30 CO 0.08 0.59 0.39 0.35 -2.18 0.00 0.00 179.01 178.24 2c2t h PHE 31 N 0.31 0.73 -0.27 0.92 3.57 -0.98 -1.77 116.94 119.44 2c2t h PHE 31 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2c2t h PHE 31 Cb 0.34 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2c2t h PHE 31 CO 0.02 0.38 -0.03 0.00 -2.23 0.00 0.00 178.31 176.46 2c2t h ARG 32 N 0.75 0.42 -0.10 1.11 3.08 -0.85 -0.49 114.38 118.30 2c2t h ARG 32 Ca 0.28 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2c2t h ARG 32 Cb 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2c2t h ARG 32 CO -0.14 0.47 0.04 -0.92 -1.07 0.00 0.00 179.97 178.35 2c2t h TYR 33 N 0.41 0.15 -0.72 3.04 5.03 -0.46 -0.08 116.97 124.33 2c2t h TYR 33 Ca 0.09 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.49 2c2t h TYR 33 Cb 0.31 -0.04 -0.08 0.00 1.55 0.00 0.00 36.73 38.47 2c2t h TYR 33 CO 0.01 0.24 0.35 0.35 -1.32 0.00 0.00 178.16 177.79 2c2t h PHE 34 N 0.01 0.62 -0.17 -3.82 3.57 -0.91 -0.29 116.94 115.94 2c2t h PHE 34 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2c2t h PHE 34 Cb 0.16 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2c2t h PHE 34 CO -0.02 0.20 0.06 1.96 -2.23 0.00 0.00 178.31 178.29 2c2t h GLN 35 N 0.58 0.26 -0.21 1.11 1.08 -0.89 -1.77 115.11 115.27 2c2t h GLN 35 Ca 0.36 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2c2t h GLN 35 Cb 0.42 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2c2t h GLN 35 CO -0.29 0.36 0.13 -0.09 -0.95 0.00 0.00 178.83 177.99 2c2t h ARG 36 N 0.11 0.28 -0.32 1.46 2.43 -0.59 -0.19 114.38 117.57 2c2t h ARG 36 Ca 0.06 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2c2t h ARG 36 Cb 0.20 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2c2t h ARG 36 CO -0.00 0.22 -0.10 0.52 -1.51 0.00 0.00 179.97 179.09 2c2t h MET 37 N 0.26 0.63 0.00 0.20 2.86 -0.99 -1.89 114.93 115.99 2c2t h MET 37 Ca 0.08 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.33 2c2t h MET 37 Cb 0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2c2t h MET 37 CO -0.01 0.83 -0.62 1.79 1.06 0.00 0.00 176.91 179.95 2c2t h THR 38 N 0.40 1.12 0.06 2.22 1.35 -1.30 -3.34 112.91 113.42 2c2t h THR 38 Ca 0.08 -2.44 -0.30 0.00 -0.55 0.00 0.00 66.41 63.19 2c2t h THR 38 Cb 0.61 2.45 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 2c2t h THR 38 CO 0.04 0.61 -1.66 0.74 -0.25 0.00 0.00 175.52 174.99 2c2t h THR 39 N 0.00 0.96 -2.71 6.82 2.02 -0.99 -3.43 112.91 115.57 2c2t h THR 39 Ca -0.01 -2.71 -0.55 0.00 0.77 0.00 0.00 66.41 63.91 2c2t h THR 39 Cb 1.40 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 70.37 2c2t h THR 39 CO 0.08 0.71 1.02 -0.89 0.37 0.00 0.00 175.52 176.82 2c2t s THR 40 N -2.60 3.82 -0.04 3.16 2.01 -0.72 -4.63 115.64 116.64 2c2t s THR 40 Ca -0.09 0.99 -0.01 0.00 0.31 0.00 0.00 61.69 62.88 2c2t s THR 40 Cb 0.07 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2c2t s THR 40 CO 0.82 -0.09 0.06 -0.55 -0.69 0.00 0.00 174.62 174.17 2c2t s SER 41 N 2.88 0.71 0.00 3.53 0.15 -1.26 -4.94 113.70 114.76 2c2t s SER 41 Ca 0.67 0.09 0.13 0.00 0.70 0.00 0.00 55.95 57.54 2c2t s SER 41 Cb -0.29 -0.07 0.43 0.00 -1.71 0.00 0.00 66.02 64.37 2c2t s SER 41 CO 0.24 -0.21 1.33 -1.54 1.20 0.00 0.00 173.24 174.27 2c2t n SER 42 N 4.89 1.57 -4.52 5.45 3.41 -1.26 -4.82 113.62 118.34 2c2t n SER 42 Ca -0.12 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.16 2c2t n SER 42 Cb 0.50 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 2c2t n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2c2t s VAL 43 N -1.66 4.46 0.31 -3.33 1.01 -1.26 -5.01 120.40 114.92 2c2t s VAL 43 Ca 0.24 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2c2t s VAL 43 Cb 0.12 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 2c2t s VAL 43 CO 0.17 -1.04 1.55 1.21 0.00 0.00 0.00 175.10 176.99 2c2t n GLU 44 N 7.26 2.63 -0.33 2.72 2.13 -1.26 -2.35 120.64 131.45 2c2t n GLU 44 Ca 0.01 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2c2t n GLU 44 Cb 0.47 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.49 2c2t n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c2t n GLY 45 N 1.72 1.25 3.45 8.31 0.00 -1.26 -5.04 105.19 113.62 2c2t n GLY 45 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2c2t n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c2t s LYS 46 N -0.40 1.62 0.17 1.61 1.02 -0.99 -4.67 119.74 118.10 2c2t s LYS 46 Ca 0.00 -1.77 0.06 0.00 0.02 0.00 0.00 55.97 54.28 2c2t s LYS 46 Cb 0.00 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 2c2t s LYS 46 CO 0.00 0.22 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.88 2c2t s GLN 47 N -3.59 1.19 0.54 1.68 -0.21 -0.48 -4.86 119.66 113.93 2c2t s GLN 47 Ca 0.29 -1.50 -0.16 0.00 0.02 0.00 0.00 55.36 54.00 2c2t s GLN 47 Cb -0.01 -0.88 -0.06 0.00 1.00 0.00 0.00 33.01 33.05 2c2t s GLN 47 CO 0.13 0.13 1.02 -0.80 -2.12 0.00 0.00 175.29 173.65 2c2t s ASN 48 N -3.19 6.27 -0.14 5.90 0.01 -1.26 -0.95 114.94 121.58 2c2t s ASN 48 Ca 0.19 1.69 -0.03 0.00 -0.71 0.00 0.00 52.86 54.00 2c2t s ASN 48 Cb 0.00 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 2c2t s ASN 48 CO 0.04 -0.83 -0.04 -0.22 -1.51 0.00 0.00 177.10 174.54 2c2t s LEU 49 N -4.20 3.28 -0.13 0.60 2.96 -0.19 -1.33 118.68 119.67 2c2t s LEU 49 Ca 0.61 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2c2t s LEU 49 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2c2t s LEU 49 CO 0.33 0.22 -0.02 0.68 -1.32 0.00 0.00 176.35 176.24 2c2t s VAL 50 N 0.07 4.12 -0.14 1.68 -7.23 0.18 -0.73 120.40 118.35 2c2t s VAL 50 Ca -0.00 -0.29 -0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2c2t s VAL 50 Cb -0.13 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 2c2t s VAL 50 CO 0.03 0.53 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.59 2c2t s ILE 51 N -0.13 2.98 0.07 -0.62 1.01 -0.14 -0.80 121.20 123.57 2c2t s ILE 51 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2c2t s ILE 51 Cb -0.13 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 2c2t s ILE 51 CO 0.02 0.51 0.14 0.00 0.00 0.00 0.00 174.94 175.62 2c2t s MET 52 N 0.54 0.74 0.86 2.79 0.23 -0.66 -1.50 119.30 122.30 2c2t s MET 52 Ca -0.08 -0.92 -0.12 0.00 -1.03 0.00 0.00 55.69 53.54 2c2t s MET 52 Cb -0.16 0.30 0.11 0.00 -1.53 0.00 0.00 34.83 33.55 2c2t s MET 52 CO 0.04 -0.21 1.13 0.20 -2.03 0.00 0.00 175.02 174.14 2c2t s GLY 53 N -2.64 1.59 0.15 3.16 0.00 -0.22 -0.66 107.32 108.69 2c2t s GLY 53 Ca 0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 2c2t s GLY 53 CO -0.09 0.07 1.61 1.70 0.00 0.00 0.00 173.10 176.39 2c2t h LYS 54 N -1.32 0.88 -0.36 2.90 3.64 -1.90 -1.80 116.57 118.61 2c2t h LYS 54 Ca -0.49 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 58.52 2c2t h LYS 54 Cb 1.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2c2t h LYS 54 CO 0.62 0.91 -0.19 0.87 -2.27 0.00 0.00 179.45 179.38 2c2t h LYS 55 N 0.74 0.67 -0.48 1.90 1.57 -1.94 -2.20 116.57 116.84 2c2t h LYS 55 Ca 0.14 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2c2t h LYS 55 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2c2t h LYS 55 CO 0.02 0.82 0.14 1.15 -0.57 0.00 0.00 179.45 181.01 2c2t h THR 56 N 0.60 1.23 -0.14 -0.16 2.02 -1.83 -1.43 112.91 113.20 2c2t h THR 56 Ca 0.09 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.53 2c2t h THR 56 Cb 0.65 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2c2t h THR 56 CO 0.05 0.29 -0.20 -0.25 0.37 0.00 0.00 175.52 175.78 2c2t h TRP 57 N 0.65 -0.51 0.00 3.16 2.91 -1.11 -1.93 115.95 119.11 2c2t h TRP 57 Ca 0.15 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2c2t h TRP 57 Cb 0.29 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.19 2c2t h TRP 57 CO 0.02 -0.27 0.00 1.19 -1.03 0.00 0.00 178.44 178.34 2c2t n PHE 58 N -5.34 0.50 0.72 2.65 3.01 -0.84 -1.94 117.46 116.21 2c2t n PHE 58 Ca -0.03 0.19 0.13 0.00 1.01 0.00 0.00 57.45 58.76 2c2t n PHE 58 Cb 0.25 -0.81 0.47 0.00 -0.01 0.00 0.00 39.48 39.39 2c2t n PHE 58 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2c2t n SER 59 N -1.95 0.53 -4.72 4.37 3.41 -0.56 -4.77 113.62 109.94 2c2t n SER 59 Ca 0.03 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 2c2t n SER 59 Cb 0.22 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 2c2t n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2c2t s ILE 60 N -3.08 4.86 0.31 -1.33 1.01 -0.82 -4.97 121.20 117.18 2c2t s ILE 60 Ca 0.11 1.85 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 2c2t s ILE 60 Cb 0.14 -4.22 -0.12 0.00 0.01 0.00 0.00 42.46 38.26 2c2t s ILE 60 CO 0.55 0.22 1.37 -2.65 0.00 0.00 0.00 174.94 174.43 2c2t n PRO 61 N 3.64 2.20 -0.29 2.79 -0.02 -1.26 -4.82 135.00 137.24 2c2t n PRO 61 Ca 0.03 0.78 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 2c2t n PRO 61 Cb 0.51 -2.41 0.27 0.00 -0.02 0.00 0.00 33.50 31.85 2c2t n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2c2t h GLU 62 N 3.28 0.39 0.00 -0.52 4.81 -1.94 0.87 114.58 121.48 2c2t h GLU 62 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2c2t h GLU 62 Cb 1.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2c2t h GLU 62 CO 0.68 0.26 0.00 1.57 -0.73 0.00 0.00 179.01 180.79 2c2t h LYS 63 N 0.40 0.00 -0.41 1.92 2.10 -2.01 -2.33 116.57 116.25 2c2t h LYS 63 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 2c2t h LYS 63 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2c2t h LYS 63 CO -0.50 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.04 2c2t n ASN 64 N -2.47 3.16 -4.75 7.07 5.03 0.29 -4.95 115.26 118.64 2c2t n ASN 64 Ca 0.01 -1.93 -0.35 0.00 0.87 0.00 0.00 54.58 53.17 2c2t n ASN 64 Cb 0.19 -0.27 -0.08 0.00 -1.02 0.00 0.00 39.78 38.60 2c2t n ASN 64 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2c2t s ARG 65 N -1.09 3.12 0.83 3.52 0.52 -0.88 -3.30 118.95 121.67 2c2t s ARG 65 Ca 0.31 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 2c2t s ARG 65 Cb 0.17 -2.91 0.09 0.00 0.52 0.00 0.00 34.95 32.82 2c2t s ARG 65 CO 0.23 0.72 1.10 -1.25 0.02 0.00 0.00 175.30 176.12 2c2t s PRO 66 N -0.97 1.80 0.07 3.54 0.04 -1.26 -4.98 135.00 133.23 2c2t s PRO 66 Ca 0.14 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 2c2t s PRO 66 Cb -0.12 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2c2t s PRO 66 CO 0.03 -1.96 1.89 -0.51 0.04 0.00 0.00 177.00 176.49 2c2t s LEU 67 N -6.12 4.41 0.49 -3.56 1.43 -1.21 -4.89 118.68 109.24 2c2t s LEU 67 Ca 0.63 2.68 -0.24 0.00 -1.03 0.00 0.00 54.13 56.17 2c2t s LEU 67 Cb -0.18 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 2c2t s LEU 67 CO 0.57 -1.02 1.38 -1.59 0.23 0.00 0.00 176.35 175.91 2c2t s LYS 68 N 3.72 3.47 0.00 1.70 -2.85 -1.26 -3.38 119.74 121.14 2c2t s LYS 68 Ca 0.84 2.29 0.00 0.00 -1.00 0.00 0.00 55.97 58.11 2c2t s LYS 68 Cb -0.43 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2c2t s LYS 68 CO 0.39 -0.95 0.00 0.41 0.10 0.00 0.00 175.35 175.30 2c2t n GLY 69 N 0.64 0.49 2.99 0.59 0.00 -1.26 -4.98 105.19 103.66 2c2t n GLY 69 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2c2t n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c2t s ARG 70 N -0.40 0.38 -0.05 1.61 0.52 -1.22 -4.51 118.95 115.28 2c2t s ARG 70 Ca 0.00 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 2c2t s ARG 70 Cb 0.00 -0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.24 2c2t s ARG 70 CO 0.00 0.04 1.10 0.42 0.02 0.00 0.00 175.30 176.89 2c2t s ILE 71 N -0.86 4.49 -0.25 1.52 1.01 -0.45 -4.77 121.20 121.90 2c2t s ILE 71 Ca -0.06 1.79 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 2c2t s ILE 71 Cb -0.06 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 2c2t s ILE 71 CO -0.00 0.04 0.07 0.20 0.00 0.00 0.00 174.94 175.25 2c2t s ASN 72 N 1.23 5.16 -0.11 3.58 0.02 -1.26 -0.65 114.94 122.91 2c2t s ASN 72 Ca 0.53 -0.20 0.03 0.00 -1.02 0.00 0.00 52.86 52.20 2c2t s ASN 72 Cb -0.23 -1.93 0.01 0.00 0.02 0.00 0.00 41.25 39.12 2c2t s ASN 72 CO 0.22 -0.03 -0.20 -0.22 0.02 0.00 0.00 177.10 176.89 2c2t s LEU 73 N 1.61 1.98 -0.10 0.60 0.20 0.02 -1.61 118.68 121.38 2c2t s LEU 73 Ca 0.06 -0.52 -0.02 0.00 0.69 0.00 0.00 54.13 54.34 2c2t s LEU 73 Cb -0.15 -1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2c2t s LEU 73 CO 0.04 0.09 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.49 2c2t s VAL 74 N 0.68 4.24 -0.11 1.68 1.01 -0.61 -1.65 120.40 125.63 2c2t s VAL 74 Ca -0.12 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 2c2t s VAL 74 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2c2t s VAL 74 CO 0.02 0.58 0.36 -0.76 0.00 0.00 0.00 175.10 175.31 2c2t s LEU 75 N -0.66 4.31 -0.21 3.92 1.43 0.16 -1.84 118.68 125.79 2c2t s LEU 75 Ca 0.11 0.69 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 2c2t s LEU 75 Cb -0.12 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.68 2c2t s LEU 75 CO 0.02 0.14 0.65 -0.55 0.23 0.00 0.00 176.35 176.84 2c2t s SER 76 N 0.10 -0.67 0.00 2.29 0.15 -0.76 -3.24 113.70 111.58 2c2t s SER 76 Ca 0.20 1.20 0.25 0.00 0.70 0.00 0.00 55.95 58.31 2c2t s SER 76 Cb -0.14 1.20 0.59 0.00 -1.71 0.00 0.00 66.02 65.96 2c2t s SER 76 CO 0.08 -0.29 1.47 0.54 1.20 0.00 0.00 173.24 176.24 2c2t n ARG 77 N 2.42 0.14 -0.02 5.44 1.74 -1.26 -4.12 116.66 121.01 2c2t n ARG 77 Ca -0.15 -0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 56.83 2c2t n ARG 77 Cb 0.56 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 2c2t n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2c2t n GLU 78 N -1.36 2.57 -2.27 5.56 -0.58 -1.26 -5.03 120.64 118.26 2c2t n GLU 78 Ca 0.07 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.46 2c2t n GLU 78 Cb 0.34 -1.08 -0.00 0.00 -0.57 0.00 0.00 31.44 30.13 2c2t n GLU 78 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2c2t s LEU 79 N -4.50 3.78 -0.00 -4.62 1.43 -1.26 -4.96 118.68 108.55 2c2t s LEU 79 Ca -0.03 2.18 0.13 0.00 -1.03 0.00 0.00 54.13 55.38 2c2t s LEU 79 Cb 0.01 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.53 2c2t s LEU 79 CO 0.12 -1.17 0.55 2.29 0.23 0.00 0.00 176.35 178.36 2c2t n LYS 80 N -1.21 2.44 -4.00 1.70 2.85 -1.26 -4.98 118.16 113.70 2c2t n LYS 80 Ca 0.11 -0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.27 2c2t n LYS 80 Cb 0.51 -1.14 -0.08 0.00 -0.65 0.00 0.00 35.03 33.66 2c2t n LYS 80 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2c2t s GLU 81 N -2.31 0.95 0.58 -1.58 -1.05 -1.26 -5.10 118.70 108.93 2c2t s GLU 81 Ca 0.04 -1.19 -0.21 0.00 -0.15 0.00 0.00 54.97 53.47 2c2t s GLU 81 Cb 0.10 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2c2t s GLU 81 CO 0.55 -0.30 1.34 -2.14 0.95 0.00 0.00 175.26 175.66 2c2t s PRO 82 N -3.95 2.94 0.70 -4.83 0.02 -1.26 -4.95 135.00 123.67 2c2t s PRO 82 Ca 0.14 2.19 -0.16 0.00 0.02 0.00 0.00 61.00 63.19 2c2t s PRO 82 Cb 0.05 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.46 2c2t s PRO 82 CO -0.04 -1.33 1.06 -0.35 -0.33 0.00 0.00 177.00 176.01 2c2t n PRO 83 N -1.32 0.63 -1.67 5.54 -0.04 -1.26 -4.80 135.00 132.08 2c2t n PRO 83 Ca 0.12 0.27 -0.48 0.00 -0.04 0.00 0.00 63.50 63.37 2c2t n PRO 83 Cb 0.46 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.57 2c2t n PRO 83 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2c2t n GLN 84 N -1.94 2.10 0.00 0.54 -0.06 -1.26 -1.10 117.38 115.66 2c2t n GLN 84 Ca 0.14 0.76 0.00 0.00 -2.00 0.00 0.00 57.00 55.90 2c2t n GLN 84 Cb 0.49 -2.57 0.00 0.00 -4.06 0.00 0.00 30.24 24.10 2c2t n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2c2t n GLY 85 N 3.97 3.36 3.80 1.69 0.00 -1.26 -4.93 105.19 111.83 2c2t n GLY 85 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2c2t n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c2t s ALA 86 N -2.98 2.84 -0.07 4.61 0.00 -0.25 -4.12 121.76 121.78 2c2t s ALA 86 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.45 2c2t s ALA 86 Cb 0.00 -3.23 -0.25 0.00 0.00 0.00 0.00 23.12 19.64 2c2t s ALA 86 CO 0.00 -0.52 0.55 0.45 0.00 0.00 0.00 175.76 176.24 2c2t h HIS 87 N 0.99 0.25 -3.82 0.00 -0.00 -1.61 -3.45 115.15 107.50 2c2t h HIS 87 Ca -0.48 -0.18 -0.10 0.00 -0.00 0.00 0.00 60.37 59.61 2c2t h HIS 87 Cb 1.22 -0.01 -0.15 0.00 -0.00 0.00 0.00 27.41 28.46 2c2t h HIS 87 CO 0.58 1.37 -0.45 -0.06 -0.00 0.00 0.00 177.93 179.38 2c2t s PHE 88 N -2.58 0.19 -0.04 2.45 0.08 -0.95 -4.98 117.98 112.15 2c2t s PHE 88 Ca -0.13 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.37 2c2t s PHE 88 Cb 0.07 -0.12 0.01 0.00 -0.57 0.00 0.00 43.02 42.42 2c2t s PHE 88 CO 0.80 -0.46 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.20 2c2t s LEU 89 N -2.58 1.64 0.12 -0.37 2.96 -1.26 -1.58 118.68 117.61 2c2t s LEU 89 Ca 0.01 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2c2t s LEU 89 Cb 0.03 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2c2t s LEU 89 CO -0.08 0.03 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.43 2c2t s SER 90 N 0.50 1.63 0.12 3.68 0.01 -0.77 -4.97 113.70 113.91 2c2t s SER 90 Ca -0.09 -0.90 0.26 0.00 1.31 0.00 0.00 55.95 56.54 2c2t s SER 90 Cb -0.12 -0.00 0.80 0.00 0.21 0.00 0.00 66.02 66.90 2c2t s SER 90 CO 0.01 -0.29 1.69 0.54 0.41 0.00 0.00 173.24 175.61 2c2t n ARG 91 N 0.24 0.18 -3.65 12.44 1.74 -1.26 -1.82 116.66 124.53 2c2t n ARG 91 Ca -0.14 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 2c2t n ARG 91 Cb 0.59 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 2c2t n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2c2t s SER 92 N -3.98 -0.33 0.12 0.55 1.04 -1.26 -4.64 113.70 105.20 2c2t s SER 92 Ca 0.11 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 2c2t s SER 92 Cb 0.15 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.75 2c2t s SER 92 CO 0.61 -0.97 1.76 0.25 0.98 0.00 0.00 173.24 175.87 2c2t h LEU 93 N 2.00 0.14 -1.02 2.42 5.85 -1.98 -0.89 115.31 121.83 2c2t h LEU 93 Ca -0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2c2t h LEU 93 Cb 1.26 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2c2t h LEU 93 CO 0.29 0.11 0.66 -0.78 -0.34 0.00 0.00 178.44 178.38 2c2t h ASP 94 N 0.19 1.14 -0.65 1.25 1.82 -1.99 0.12 116.42 118.31 2c2t h ASP 94 Ca 0.07 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2c2t h ASP 94 Cb 0.01 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.71 2c2t h ASP 94 CO -0.05 0.82 0.39 0.44 -1.61 0.00 0.00 179.24 179.24 2c2t h ASP 95 N 1.35 0.78 -0.68 2.28 3.45 -1.90 -1.57 116.42 120.13 2c2t h ASP 95 Ca 0.37 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.75 2c2t h ASP 95 Cb -0.14 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.40 2c2t h ASP 95 CO -0.09 0.61 0.33 0.00 -1.57 0.00 0.00 179.24 178.53 2c2t h ALA 96 N 1.20 0.88 -0.38 3.45 0.00 0.14 -1.04 119.26 123.52 2c2t h ALA 96 Ca 0.23 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2c2t h ALA 96 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2c2t h ALA 96 CO -0.04 0.44 -0.23 -0.07 0.00 0.00 0.00 179.25 179.34 2c2t h LEU 97 N 0.95 0.76 -1.08 0.00 3.38 -0.58 -2.68 115.31 116.06 2c2t h LEU 97 Ca 0.23 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2c2t h LEU 97 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2c2t h LEU 97 CO -0.03 0.97 -0.15 0.11 0.09 0.00 0.00 178.44 179.43 2c2t h LYS 98 N 0.65 0.48 -0.84 1.13 1.57 -0.99 -2.91 116.57 115.66 2c2t h LYS 98 Ca 0.09 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2c2t h LYS 98 Cb 0.74 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 2c2t h LYS 98 CO 0.06 0.62 0.55 -0.07 -0.57 0.00 0.00 179.45 180.04 2c2t h LEU 99 N 0.44 0.93 -2.72 2.94 3.38 -0.84 -2.50 115.31 116.93 2c2t h LEU 99 Ca 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2c2t h LEU 99 Cb 0.52 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2c2t h LEU 99 CO 0.03 0.65 -0.00 0.71 0.09 0.00 0.00 178.44 179.93 2c2t h THR 100 N 1.09 0.01 -0.02 0.22 1.35 -1.42 -2.38 112.91 111.74 2c2t h THR 100 Ca 0.32 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 2c2t h THR 100 Cb -0.05 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2c2t h THR 100 CO -0.08 0.00 -0.06 -0.62 -0.25 0.00 0.00 175.52 174.51 2c2t n GLU 101 N -3.09 1.95 -2.14 4.72 1.02 -0.94 -2.60 120.64 119.56 2c2t n GLU 101 Ca -0.02 -1.48 -0.29 0.00 -0.02 0.00 0.00 57.16 55.34 2c2t n GLU 101 Cb 0.11 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.08 2c2t n GLU 101 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2c2t s GLN 102 N -2.07 3.26 0.32 3.49 -1.52 -0.90 -4.64 119.66 117.61 2c2t s GLN 102 Ca 0.30 0.41 0.09 0.00 -1.95 0.00 0.00 55.36 54.20 2c2t s GLN 102 Cb 0.20 -2.17 0.92 0.00 -0.22 0.00 0.00 33.01 31.75 2c2t s GLN 102 CO 0.35 -0.64 1.63 -1.35 -0.25 0.00 0.00 175.29 175.03 2c2t h PRO 103 N -0.26 0.18 -0.14 2.91 0.11 -1.92 0.13 132.00 133.02 2c2t h PRO 103 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2c2t h PRO 103 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2c2t h PRO 103 CO 0.62 0.12 0.06 1.49 -0.21 0.00 0.00 178.00 180.08 2c2t h GLU 104 N 0.19 0.21 -0.01 1.05 4.81 -1.93 -3.23 114.58 115.67 2c2t h GLU 104 Ca 0.66 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 2c2t h GLU 104 Cb 1.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2c2t h GLU 104 CO -0.69 0.29 -0.53 1.28 -0.73 0.00 0.00 179.01 178.63 2c2t n LEU 105 N -4.89 1.32 -0.21 1.64 4.77 -0.85 -4.61 117.00 114.17 2c2t n LEU 105 Ca -0.05 -0.46 -0.03 0.00 -0.03 0.00 0.00 56.01 55.44 2c2t n LEU 105 Cb 0.11 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2c2t n LEU 105 CO 0.34 0.26 0.67 0.00 -1.33 0.00 0.00 177.39 177.34 2c2t h ALA 106 N 3.52 0.14 -0.50 -1.18 0.00 -0.50 -1.65 119.26 119.09 2c2t h ALA 106 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2c2t h ALA 106 Cb 0.60 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2c2t h ALA 106 CO 0.00 -0.58 0.11 0.09 0.00 0.00 0.00 179.25 178.88 2c2t n ASN 107 N -5.44 3.86 0.00 0.00 3.02 -1.26 -4.53 115.26 110.90 2c2t n ASN 107 Ca 0.06 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 2c2t n ASN 107 Cb 0.35 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2c2t n ASN 107 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2c2t n LYS 108 N -0.58 2.31 -4.39 3.52 4.76 -0.62 -4.69 118.16 118.47 2c2t n LYS 108 Ca 0.34 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.44 2c2t n LYS 108 Cb 1.15 -0.79 -0.13 0.00 -1.84 0.00 0.00 35.03 33.42 2c2t n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2c2t s VAL 109 N -1.49 3.60 0.00 -0.18 1.01 -1.20 -1.38 120.40 120.77 2c2t s VAL 109 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2c2t s VAL 109 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2c2t s VAL 109 CO 0.00 0.48 0.00 -0.67 0.00 0.00 0.00 175.10 174.91 2c2t n ASP 110 N 3.80 0.00 -4.85 3.32 4.64 -0.12 -4.88 116.55 118.46 2c2t n ASP 110 Ca -0.18 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 52.91 2c2t n ASP 110 Cb 0.52 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.55 2c2t n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 2c2t s MET 111 N 0.72 4.02 -0.17 -0.67 -1.94 -1.26 -4.89 119.30 115.10 2c2t s MET 111 Ca 0.00 0.78 -0.02 0.00 -1.71 0.00 0.00 55.69 54.74 2c2t s MET 111 Cb 0.00 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.50 2c2t s MET 111 CO 0.00 0.03 -0.08 0.08 -0.01 0.00 0.00 175.02 175.04 2c2t s VAL 112 N -2.17 3.35 -0.13 -6.03 1.01 -1.26 -1.02 120.40 114.14 2c2t s VAL 112 Ca 0.56 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2c2t s VAL 112 Cb -0.10 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2c2t s VAL 112 CO 0.20 0.48 -0.21 0.26 0.00 0.00 0.00 175.10 175.84 2c2t s TRP 113 N 0.75 2.53 -0.25 5.22 0.52 0.09 -1.56 118.94 126.25 2c2t s TRP 113 Ca -0.03 -1.26 -0.15 0.00 0.02 0.00 0.00 56.10 54.67 2c2t s TRP 113 Cb -0.15 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2c2t s TRP 113 CO 0.02 -0.58 0.38 0.42 0.02 0.00 0.00 176.95 177.21 2c2t s ILE 114 N 0.84 5.18 -0.32 2.03 -1.09 0.70 -0.97 121.20 127.57 2c2t s ILE 114 Ca -0.07 0.62 0.09 0.00 -2.23 0.00 0.00 60.65 59.06 2c2t s ILE 114 Cb -0.15 -3.71 0.22 0.00 -1.58 0.00 0.00 42.46 37.24 2c2t s ILE 114 CO -0.02 0.18 1.16 1.33 -1.23 0.00 0.00 174.94 176.37 2c2t n VAL 115 N 4.89 1.35 0.00 2.92 0.24 -0.56 -1.51 118.33 125.66 2c2t n VAL 115 Ca -0.08 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 2c2t n VAL 115 Cb 0.51 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2c2t n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c2t n GLY 116 N -0.37 1.03 0.00 7.63 0.00 -1.26 -4.96 105.19 107.25 2c2t n GLY 116 Ca 0.09 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2c2t n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c2t n GLY 117 N 0.40 1.42 0.18 -0.02 0.00 -1.26 -1.06 105.19 104.86 2c2t n GLY 117 Ca 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 2c2t n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c2t h SER 118 N 0.00 0.14 0.75 1.61 4.64 -1.98 -1.49 113.55 117.22 2c2t h SER 118 Ca 0.00 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 2c2t h SER 118 Cb 0.00 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2c2t h SER 118 CO 0.00 0.11 -0.31 0.28 -0.87 0.00 0.00 176.83 176.04 2c2t h SER 119 N 0.31 0.00 -0.05 4.97 0.02 -1.96 -1.15 113.55 115.69 2c2t h SER 119 Ca 0.21 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2c2t h SER 119 Cb 0.22 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 2c2t h SER 119 CO -0.22 0.31 -0.41 0.58 -1.14 0.00 0.00 176.83 175.95 2c2t h VAL 120 N 0.00 1.43 -0.40 2.27 2.07 -1.66 -2.71 116.25 117.24 2c2t h VAL 120 Ca -0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2c2t h VAL 120 Cb 0.77 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2c2t h VAL 120 CO 0.04 0.54 0.26 1.88 0.02 0.00 0.00 177.57 180.31 2c2t h TYR 121 N -0.13 0.51 -0.18 1.57 0.99 -1.16 -1.35 116.97 117.21 2c2t h TYR 121 Ca -0.04 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.73 2c2t h TYR 121 Cb 1.09 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 38.62 2c2t h TYR 121 CO 0.14 0.34 -0.00 -0.22 -0.00 0.00 0.00 178.16 178.41 2c2t h LYS 122 N 0.54 0.06 0.20 4.88 3.64 -1.25 0.50 116.57 125.14 2c2t h LYS 122 Ca 0.15 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2c2t h LYS 122 Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2c2t h LYS 122 CO -0.03 0.04 -0.10 1.49 -2.27 0.00 0.00 179.45 178.58 2c2t h GLU 123 N 0.06 -0.26 -0.77 1.90 4.81 -1.42 -3.11 114.58 115.80 2c2t h GLU 123 Ca 0.09 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2c2t h GLU 123 Cb 0.11 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 2c2t h GLU 123 CO -0.15 -0.07 0.42 0.00 -0.73 0.00 0.00 179.01 178.48 2c2t h ALA 124 N 0.38 1.08 0.00 2.92 0.00 -0.97 -1.93 119.26 120.74 2c2t h ALA 124 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2c2t h ALA 124 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2c2t h ALA 124 CO 0.05 0.05 0.00 0.52 0.00 0.00 0.00 179.25 179.86 2c2t h MET 125 N 0.72 0.00 -0.13 0.00 2.86 -0.84 -0.99 114.93 116.55 2c2t h MET 125 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2c2t h MET 125 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2c2t h MET 125 CO -0.25 0.00 0.00 0.09 1.06 0.00 0.00 176.91 177.81 2c2t n ASN 126 N -2.90 3.00 -4.76 1.22 3.02 -0.76 -4.99 115.26 109.09 2c2t n ASN 126 Ca -0.01 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 2c2t n ASN 126 Cb 0.20 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 2c2t n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2c2t s HIS 127 N -1.71 2.74 0.47 3.10 2.46 -0.38 -4.94 115.29 117.03 2c2t s HIS 127 Ca 0.29 1.01 -0.24 0.00 0.47 0.00 0.00 55.06 56.59 2c2t s HIS 127 Cb 0.19 -3.99 -0.07 0.00 -0.13 0.00 0.00 32.58 28.57 2c2t s HIS 127 CO 0.28 -3.12 1.40 -2.14 -2.47 0.00 0.00 174.74 168.69 2c2t s PRO 128 N -1.23 3.56 0.00 2.88 0.02 -1.26 -4.88 135.00 134.09 2c2t s PRO 128 Ca 0.57 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2c2t s PRO 128 Cb -0.46 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2c2t s PRO 128 CO 0.54 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 2c2t n GLY 129 N 0.62 -1.82 3.72 0.52 0.00 -1.10 -4.94 105.19 102.20 2c2t n GLY 129 Ca 0.06 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2c2t n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2c2t s HIS 130 N 0.00 3.56 -0.10 1.61 5.65 -1.21 -4.25 115.29 120.55 2c2t s HIS 130 Ca 0.00 1.51 -0.09 0.00 0.25 0.00 0.00 55.06 56.74 2c2t s HIS 130 Cb 0.00 -3.29 0.03 0.00 -1.18 0.00 0.00 32.58 28.14 2c2t s HIS 130 CO 0.00 -0.70 0.27 -1.17 -0.65 0.00 0.00 174.74 172.49 2c2t s LEU 131 N 0.49 0.81 0.02 8.88 2.96 -0.98 -2.38 118.68 128.47 2c2t s LEU 131 Ca 0.53 0.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.05 2c2t s LEU 131 Cb -0.27 0.91 -0.03 0.00 0.50 0.00 0.00 46.19 47.29 2c2t s LEU 131 CO 0.31 -0.11 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.55 2c2t s LYS 132 N 0.42 2.30 -0.24 1.98 1.02 -0.91 -1.35 119.74 122.95 2c2t s LYS 132 Ca -0.02 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 2c2t s LYS 132 Cb -0.04 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2c2t s LYS 132 CO -0.02 0.57 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.40 2c2t s LEU 133 N -1.34 3.14 -0.47 3.17 1.43 0.04 -0.50 118.68 124.14 2c2t s LEU 133 Ca 0.15 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 2c2t s LEU 133 Cb -0.11 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2c2t s LEU 133 CO 0.05 -0.13 0.49 -0.36 0.23 0.00 0.00 176.35 176.64 2c2t s PHE 134 N 1.30 3.16 -0.19 0.29 0.40 0.14 -0.67 117.98 122.39 2c2t s PHE 134 Ca -0.00 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 2c2t s PHE 134 Cb -0.17 -3.24 0.03 0.00 0.51 0.00 0.00 43.02 40.15 2c2t s PHE 134 CO -0.05 -0.86 -0.19 0.14 0.70 0.00 0.00 175.22 174.96 2c2t s VAL 135 N 2.10 2.08 -0.34 -0.44 -7.23 -0.26 -1.47 120.40 114.84 2c2t s VAL 135 Ca 0.10 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 2c2t s VAL 135 Cb -0.21 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 2c2t s VAL 135 CO 0.10 0.45 0.57 -0.89 -0.31 0.00 0.00 175.10 175.02 2c2t s THR 136 N 1.26 4.97 -0.55 5.32 2.01 -0.31 -0.82 115.64 127.52 2c2t s THR 136 Ca 0.03 0.50 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 2c2t s THR 136 Cb -0.14 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.41 2c2t s THR 136 CO -0.12 -0.23 0.93 -0.13 -0.69 0.00 0.00 174.62 174.39 2c2t s ARG 137 N 2.52 3.31 -0.30 4.92 1.81 0.24 -1.04 118.95 130.42 2c2t s ARG 137 Ca 0.21 -0.31 -0.28 0.00 -1.72 0.00 0.00 55.73 53.63 2c2t s ARG 137 Cb -0.15 -4.06 0.01 0.00 -0.45 0.00 0.00 34.95 30.30 2c2t s ARG 137 CO 0.13 -1.49 1.01 0.42 -0.68 0.00 0.00 175.30 174.70 2c2t s ILE 138 N 3.91 4.60 -0.45 1.52 -1.09 -0.47 -1.36 121.20 127.86 2c2t s ILE 138 Ca 0.29 1.70 -0.04 0.00 -2.23 0.00 0.00 60.65 60.38 2c2t s ILE 138 Cb -0.13 -4.34 0.02 0.00 -1.58 0.00 0.00 42.46 36.43 2c2t s ILE 138 CO 0.19 -0.37 2.86 0.23 -1.23 0.00 0.00 174.94 176.62 2c2t n MET 139 N 6.63 2.46 -3.63 2.79 2.81 -0.17 -2.48 117.12 125.52 2c2t n MET 139 Ca 0.10 -2.23 -0.10 0.00 -1.81 0.00 0.00 57.70 53.66 2c2t n MET 139 Cb 0.47 -2.15 -0.04 0.00 -0.71 0.00 0.00 33.22 30.78 2c2t n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2c2t s GLN 140 N -1.33 1.10 0.12 0.03 -0.21 -1.26 -4.83 119.66 113.28 2c2t s GLN 140 Ca 0.60 -0.72 -0.19 0.00 0.02 0.00 0.00 55.36 55.07 2c2t s GLN 140 Cb 0.37 0.48 -0.07 0.00 1.00 0.00 0.00 33.01 34.78 2c2t s GLN 140 CO -0.19 -0.44 0.61 -0.51 -2.12 0.00 0.00 175.29 172.64 2c2t s ASP 141 N -2.81 7.05 -0.01 5.90 1.11 -1.26 -1.28 116.67 125.37 2c2t s ASP 141 Ca 0.04 1.29 0.01 0.00 0.18 0.00 0.00 52.55 54.07 2c2t s ASP 141 Cb 0.02 -2.37 0.01 0.00 1.07 0.00 0.00 42.92 41.64 2c2t s ASP 141 CO -0.11 0.20 -0.03 -0.36 1.18 0.00 0.00 175.17 176.05 2c2t s PHE 142 N -1.24 0.36 0.11 4.23 0.08 -1.26 -4.98 117.98 115.28 2c2t s PHE 142 Ca 0.33 -0.06 -0.33 0.00 0.12 0.00 0.00 56.93 57.00 2c2t s PHE 142 Cb -0.19 -0.30 -0.12 0.00 -0.57 0.00 0.00 43.02 41.84 2c2t s PHE 142 CO 0.20 -0.05 1.76 -1.91 -0.10 0.00 0.00 175.22 175.12 2c2t n GLU 143 N 3.36 2.49 -4.01 0.44 4.07 -1.26 -4.81 120.64 120.92 2c2t n GLU 143 Ca -0.17 0.90 -0.08 0.00 -0.06 0.00 0.00 57.16 57.74 2c2t n GLU 143 Cb 0.56 -2.75 -0.11 0.00 -0.06 0.00 0.00 31.44 29.09 2c2t n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2c2t s SER 144 N 2.26 0.30 0.00 4.31 0.01 -1.26 -4.75 113.70 114.57 2c2t s SER 144 Ca 0.82 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2c2t s SER 144 Cb -0.58 0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2c2t s SER 144 CO 0.39 -0.41 0.70 -0.90 0.41 0.00 0.00 173.24 173.43 2c2t n ASP 145 N 1.08 1.36 -3.81 2.44 5.68 0.08 -4.98 116.55 118.39 2c2t n ASP 145 Ca -0.21 -1.44 -0.13 0.00 -0.50 0.00 0.00 54.79 52.51 2c2t n ASP 145 Cb 0.57 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.41 2c2t n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2c2t s THR 146 N -0.44 -0.02 0.10 2.12 2.01 -1.01 -4.99 115.64 113.40 2c2t s THR 146 Ca 0.00 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.13 2c2t s THR 146 Cb 0.00 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2c2t s THR 146 CO 0.00 0.04 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.50 2c2t s PHE 147 N 0.52 1.10 -0.06 4.92 0.40 -1.26 -0.47 117.98 123.13 2c2t s PHE 147 Ca -0.04 -0.63 -0.19 0.00 -0.60 0.00 0.00 56.93 55.47 2c2t s PHE 147 Cb -0.06 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 2c2t s PHE 147 CO -0.02 0.02 0.54 0.12 0.70 0.00 0.00 175.22 176.58 2c2t s PHE 148 N -2.30 3.60 0.74 0.36 5.36 0.07 -4.64 117.98 121.18 2c2t s PHE 148 Ca 0.05 1.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.92 2c2t s PHE 148 Cb -0.04 -2.58 0.02 0.00 -0.34 0.00 0.00 43.02 40.08 2c2t s PHE 148 CO 0.01 0.27 0.98 -2.30 -1.46 0.00 0.00 175.22 172.71 2c2t n PRO 149 N 3.17 0.44 -1.81 10.12 -0.02 -1.26 -4.91 135.00 140.73 2c2t n PRO 149 Ca -0.07 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 2c2t n PRO 149 Cb 0.51 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 2c2t n PRO 149 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2c2t s GLU 150 N -3.45 4.13 -0.45 -0.52 -1.05 -1.26 -4.97 118.70 111.13 2c2t s GLU 150 Ca 0.73 2.56 -0.26 0.00 -0.15 0.00 0.00 54.97 57.84 2c2t s GLU 150 Cb -0.33 -3.00 0.03 0.00 -0.44 0.00 0.00 34.13 30.39 2c2t s GLU 150 CO 0.51 -0.56 0.97 0.42 0.95 0.00 0.00 175.26 177.55 2c2t s ILE 151 N -0.67 4.44 -0.59 1.83 1.01 -1.26 -5.00 121.20 120.96 2c2t s ILE 151 Ca 0.57 0.91 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 2c2t s ILE 151 Cb -0.47 -4.45 -0.02 0.00 0.01 0.00 0.00 42.46 37.53 2c2t s ILE 151 CO 0.57 -0.82 1.84 -0.62 0.00 0.00 0.00 174.94 175.91 2c2t s ASP 152 N 2.24 5.34 0.08 3.58 3.68 -1.26 -4.86 116.67 125.46 2c2t s ASP 152 Ca 0.39 0.40 0.16 0.00 2.13 0.00 0.00 52.55 55.64 2c2t s ASP 152 Cb -0.10 -2.53 0.69 0.00 -1.45 0.00 0.00 42.92 39.53 2c2t s ASP 152 CO 0.26 -2.31 1.51 0.18 0.13 0.00 0.00 175.17 174.93 2c2t n LEU 153 N 12.49 0.19 0.21 -1.34 4.77 -1.26 -0.73 117.00 131.33 2c2t n LEU 153 Ca 0.20 0.55 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 2c2t n LEU 153 Cb 0.52 -0.53 0.44 0.00 -2.33 0.00 0.00 43.42 41.52 2c2t n LEU 153 CO 0.71 -0.36 0.77 -0.33 -1.33 0.00 0.00 177.39 176.85 2c2t h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.36 114.58 116.81 2c2t h GLU 154 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 2c2t h GLU 154 Cb 0.26 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 2c2t h GLU 154 CO 0.00 0.28 -2.16 1.63 -1.16 0.00 0.00 179.01 177.60 2c2t n LYS 155 N -3.53 0.63 -4.47 2.33 5.02 -0.11 -5.01 118.16 113.02 2c2t n LYS 155 Ca -0.00 0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 2c2t n LYS 155 Cb 0.43 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 2c2t n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2c2t s TYR 156 N -2.41 3.06 -0.11 2.13 1.51 0.09 -4.29 117.35 117.34 2c2t s TYR 156 Ca -0.25 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2c2t s TYR 156 Cb 0.07 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 2c2t s TYR 156 CO 0.50 0.37 -0.14 0.21 -1.11 0.00 0.00 175.55 175.37 2c2t s LYS 157 N -0.73 3.15 -0.23 -0.62 2.20 -0.57 -4.49 119.74 118.44 2c2t s LYS 157 Ca 0.11 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2c2t s LYS 157 Cb -0.11 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.65 2c2t s LYS 157 CO 0.02 0.31 1.29 -1.17 -0.36 0.00 0.00 175.35 175.44 2c2t s LEU 158 N 0.09 4.03 0.20 5.43 2.96 -1.26 -1.15 118.68 128.97 2c2t s LEU 158 Ca -0.06 1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 2c2t s LEU 158 Cb -0.15 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 2c2t s LEU 158 CO 0.05 -0.93 1.09 -0.76 -1.32 0.00 0.00 176.35 174.48 2c2t s LEU 159 N 3.97 4.51 0.44 -0.68 1.43 0.12 -4.93 118.68 123.54 2c2t s LEU 159 Ca 0.56 2.12 0.18 0.00 -1.03 0.00 0.00 54.13 55.96 2c2t s LEU 159 Cb -0.19 -3.61 1.02 0.00 0.03 0.00 0.00 46.19 43.44 2c2t s LEU 159 CO 0.19 -0.19 1.94 1.55 0.23 0.00 0.00 176.35 180.07 2c2t h PRO 160 N 4.83 0.00 -2.65 1.29 0.13 -1.95 -3.43 132.00 130.22 2c2t h PRO 160 Ca -0.45 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 2c2t h PRO 160 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2c2t h PRO 160 CO 0.71 0.24 0.37 -1.83 -0.23 0.00 0.00 178.00 177.26 2c2t s GLU 161 N -4.25 1.49 -0.12 0.86 -1.05 -1.26 -5.07 118.70 109.29 2c2t s GLU 161 Ca -0.03 -0.83 -0.08 0.00 -0.15 0.00 0.00 54.97 53.88 2c2t s GLU 161 Cb 0.14 0.50 0.04 0.00 -0.44 0.00 0.00 34.13 34.38 2c2t s GLU 161 CO 0.67 -0.68 0.31 -0.47 0.95 0.00 0.00 175.26 176.03 2c2t s TYR 162 N -3.52 -0.39 0.23 4.83 5.04 -1.26 -5.04 117.35 117.24 2c2t s TYR 162 Ca 0.12 0.91 -0.32 0.00 -2.44 0.00 0.00 57.07 55.35 2c2t s TYR 162 Cb -0.04 0.13 -0.12 0.00 0.35 0.00 0.00 41.96 42.27 2c2t s TYR 162 CO 0.05 -0.23 1.59 -2.30 -1.34 0.00 0.00 175.55 173.33 2c2t n PRO 163 N 3.66 2.50 -0.80 4.97 -0.02 -1.26 -1.74 135.00 142.31 2c2t n PRO 163 Ca -0.19 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2c2t n PRO 163 Cb 0.56 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2c2t n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c2t n GLY 164 N 2.91 0.86 3.29 -1.23 0.00 -1.26 -5.03 105.19 104.72 2c2t n GLY 164 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2c2t n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c2t s VAL 165 N -3.37 2.92 0.41 1.61 1.01 -0.71 -5.11 120.40 117.15 2c2t s VAL 165 Ca 0.00 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2c2t s VAL 165 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 2c2t s VAL 165 CO 0.00 0.49 1.27 -0.76 0.00 0.00 0.00 175.10 176.10 2c2t s LEU 166 N 0.97 4.20 -0.08 3.92 1.43 -1.26 -4.58 118.68 123.28 2c2t s LEU 166 Ca -0.02 2.58 0.19 0.00 -1.03 0.00 0.00 54.13 55.85 2c2t s LEU 166 Cb -0.15 -3.94 -0.25 0.00 0.03 0.00 0.00 46.19 41.88 2c2t s LEU 166 CO -0.01 -0.82 0.39 -1.20 0.23 0.00 0.00 176.35 174.93 2c2t n SER 167 N 0.09 0.21 -4.87 2.29 7.64 -1.26 -4.48 113.62 113.23 2c2t n SER 167 Ca 0.04 0.09 -0.31 0.00 1.01 0.00 0.00 58.87 59.70 2c2t n SER 167 Cb 0.44 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 2c2t n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2c2t s ASP 168 N -5.23 6.31 0.25 6.43 1.01 -1.26 -4.88 116.67 119.30 2c2t s ASP 168 Ca -0.08 1.41 -0.31 0.00 0.71 0.00 0.00 52.55 54.29 2c2t s ASP 168 Cb 0.09 -2.46 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 2c2t s ASP 168 CO 0.85 -0.79 1.59 -0.69 0.21 0.00 0.00 175.17 176.34 2c2t s VAL 169 N -3.04 2.24 0.22 -1.27 1.01 -1.26 -4.72 120.40 113.58 2c2t s VAL 169 Ca 0.55 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.77 2c2t s VAL 169 Cb -0.11 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2c2t s VAL 169 CO 0.49 0.03 0.31 -1.10 0.00 0.00 0.00 175.10 174.82 2c2t s GLN 170 N 0.07 3.33 -0.13 2.72 -1.52 0.57 -4.96 119.66 119.75 2c2t s GLN 170 Ca 0.66 -0.78 -0.07 0.00 -1.95 0.00 0.00 55.36 53.22 2c2t s GLN 170 Cb -0.47 -2.84 0.05 0.00 -0.22 0.00 0.00 33.01 29.54 2c2t s GLN 170 CO 0.42 0.45 0.30 -2.00 -0.25 0.00 0.00 175.29 174.21 2c2t s GLU 171 N -3.76 0.27 -0.01 2.91 2.12 -1.26 -1.23 118.70 117.74 2c2t s GLU 171 Ca 0.34 0.64 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 2c2t s GLU 171 Cb -0.09 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.23 2c2t s GLU 171 CO 0.28 -0.17 0.03 -1.21 -0.54 0.00 0.00 175.26 173.64 2c2t s GLU 172 N 1.40 0.01 -1.29 4.30 2.02 -0.73 -4.87 118.70 119.54 2c2t s GLU 172 Ca -0.09 0.07 -0.09 0.00 0.02 0.00 0.00 54.97 54.88 2c2t s GLU 172 Cb -0.10 -0.05 0.07 0.00 0.10 0.00 0.00 34.13 34.15 2c2t s GLU 172 CO -0.10 -0.04 0.48 1.63 0.02 0.00 0.00 175.26 177.25 2c2t n LYS 173 N 3.33 -3.43 -0.98 1.61 5.02 -1.26 -0.95 118.16 121.49 2c2t n LYS 173 Ca -0.16 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2c2t n LYS 173 Cb 0.58 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 2c2t n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c2t n GLY 174 N -1.18 0.43 3.40 0.72 0.00 -1.26 -5.02 105.19 102.28 2c2t n GLY 174 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2c2t n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c2t s ILE 175 N -1.96 3.73 0.16 -0.61 1.01 -0.13 -5.09 121.20 118.31 2c2t s ILE 175 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 2c2t s ILE 175 Cb 0.00 -2.69 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 2c2t s ILE 175 CO 0.00 0.43 0.55 -0.54 0.00 0.00 0.00 174.94 175.38 2c2t s LYS 176 N 1.14 3.94 0.19 2.79 1.02 -1.26 -1.78 119.74 125.79 2c2t s LYS 176 Ca 0.02 0.45 -0.19 0.00 0.02 0.00 0.00 55.97 56.27 2c2t s LYS 176 Cb -0.14 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2c2t s LYS 176 CO 0.01 0.44 0.55 1.52 -0.92 0.00 0.00 175.35 176.95 2c2t s TYR 177 N -1.54 -0.21 0.01 3.18 -0.85 -0.36 -1.00 117.35 116.58 2c2t s TYR 177 Ca 0.40 -0.12 -0.03 0.00 -0.52 0.00 0.00 57.07 56.79 2c2t s TYR 177 Cb -0.14 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 2c2t s TYR 177 CO 0.19 -0.92 0.05 -1.59 -1.52 0.00 0.00 175.55 171.76 2c2t s LYS 178 N -3.85 0.40 -0.16 -3.49 -2.85 -0.46 -0.31 119.74 109.01 2c2t s LYS 178 Ca 0.07 -0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 54.36 2c2t s LYS 178 Cb -0.01 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 2c2t s LYS 178 CO -0.04 -0.08 0.44 -0.06 0.10 0.00 0.00 175.35 175.71 2c2t s PHE 179 N -1.45 3.44 0.13 1.78 2.99 -1.26 -0.59 117.98 123.03 2c2t s PHE 179 Ca -0.15 0.76 0.10 0.00 0.00 0.00 0.00 56.93 57.64 2c2t s PHE 179 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 43.02 40.35 2c2t s PHE 179 CO 0.00 0.08 -0.23 -1.21 -0.00 0.00 0.00 175.22 173.86 2c2t s GLU 180 N 0.97 1.31 -0.08 0.44 2.02 0.00 -4.85 118.70 118.52 2c2t s GLU 180 Ca 0.23 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2c2t s GLU 180 Cb -0.15 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.46 2c2t s GLU 180 CO 0.09 0.38 -0.08 0.08 0.02 0.00 0.00 175.26 175.74 2c2t s VAL 181 N -1.31 0.91 0.21 2.63 1.01 -1.26 -1.10 120.40 121.49 2c2t s VAL 181 Ca 0.13 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.90 2c2t s VAL 181 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2c2t s VAL 181 CO 0.06 0.32 -0.04 -0.31 0.00 0.00 0.00 175.10 175.13 2c2t s TYR 182 N 1.15 2.71 -0.04 5.22 1.51 0.15 -0.70 117.35 127.34 2c2t s TYR 182 Ca -0.06 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 2c2t s TYR 182 Cb -0.14 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 2c2t s TYR 182 CO -0.02 0.55 0.13 -2.00 -1.11 0.00 0.00 175.55 173.11 2c2t s GLU 183 N -3.15 0.22 0.24 -0.62 2.12 -0.30 -0.78 118.70 116.42 2c2t s GLU 183 Ca 0.28 0.07 0.10 0.00 0.36 0.00 0.00 54.97 55.78 2c2t s GLU 183 Cb -0.08 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.36 2c2t s GLU 183 CO 0.18 -0.04 -0.17 -1.59 -0.54 0.00 0.00 175.26 173.10 2c2t s LYS 184 N -0.21 1.50 -0.01 4.30 -2.85 -0.46 -1.52 119.74 120.50 2c2t s LYS 184 Ca -0.03 -1.68 0.00 0.00 -1.00 0.00 0.00 55.97 53.27 2c2t s LYS 184 Cb -0.02 -1.46 -0.01 0.00 -2.06 0.00 0.00 37.83 34.28 2c2t s LYS 184 CO 0.00 0.26 -0.01 0.09 0.10 0.00 0.00 175.35 175.80 2c2t n ASN 185 N -0.48 4.11 -0.88 0.03 3.02 -1.26 -2.33 115.26 117.47 2c2t n ASN 185 Ca -0.07 -0.01 0.11 0.00 -0.03 0.00 0.00 54.58 54.59 2c2t n ASN 185 Cb 0.60 0.11 0.09 0.00 -0.61 0.00 0.00 39.78 39.97 2c2t n ASN 185 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11