#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d s LEU 2 N 0.00 2.42 0.00 -0.89 1.43 -1.26 -5.08 118.68 115.30 3e1d s LEU 2 Ca 0.00 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 3e1d s LEU 2 Cb 0.00 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.15 3e1d s LEU 2 CO 0.00 -2.58 0.00 0.00 0.23 0.00 0.00 176.35 174.00 3e1d n GLN 3 N -3.86 0.00 -1.96 1.70 3.00 -1.26 -4.94 117.38 110.06 3e1d n GLN 3 Ca 0.08 0.13 -0.33 0.00 -0.01 0.00 0.00 57.00 56.86 3e1d n GLN 3 Cb 0.54 -0.51 0.03 0.00 0.00 0.00 0.00 30.24 30.30 3e1d n GLN 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3e1d s PRO 4 N -0.52 3.06 0.00 -1.09 0.04 -1.26 -4.38 135.00 130.86 3e1d s PRO 4 Ca 0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3e1d s PRO 4 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3e1d s PRO 4 CO 0.00 -1.04 0.00 0.36 0.04 0.00 0.00 177.00 176.36 3e1d n LYS 5 N -2.04 0.00 0.00 4.56 2.85 -1.26 -4.73 118.16 117.55 3e1d n LYS 5 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3e1d n LYS 5 Cb 0.52 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 3e1d n LYS 5 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3e1d n ARG 6 N -0.66 0.36 -1.66 -1.58 -4.01 -1.26 -4.92 116.66 102.93 3e1d n ARG 6 Ca 0.00 0.00 -0.66 0.00 -1.04 0.00 0.00 57.85 56.15 3e1d n ARG 6 Cb 0.00 -1.18 -0.10 0.00 -3.04 0.00 0.00 32.46 28.13 3e1d n ARG 6 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 3e1d n THR 7 N 0.33 0.01 -1.69 8.89 -2.24 -1.26 -4.89 114.28 113.42 3e1d n THR 7 Ca 0.00 -0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3e1d n THR 7 Cb 0.09 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 3e1d n THR 7 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3e1d s LYS 8 N 3.53 1.75 0.62 -0.78 2.20 -1.26 -4.00 119.74 121.80 3e1d s LYS 8 Ca 1.07 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 3e1d s LYS 8 Cb -1.49 -4.89 0.00 0.00 -1.51 0.00 0.00 37.83 29.94 3e1d s LYS 8 CO 0.79 -4.40 0.00 0.34 -0.36 0.00 0.00 175.35 171.71 3e1d n PHE 9 N 17.75 -4.24 1.48 4.03 -0.00 -1.26 -4.85 117.46 130.38 3e1d n PHE 9 Ca 0.45 2.31 0.09 0.00 -0.00 0.00 0.00 57.45 60.29 3e1d n PHE 9 Cb 0.45 -3.65 0.51 0.00 -0.00 0.00 0.00 39.48 36.79 3e1d n PHE 9 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3e1d n ARG 10 N -3.22 0.74 0.00 -4.13 1.74 -1.26 -4.45 116.66 106.08 3e1d n ARG 10 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3e1d n ARG 10 Cb 0.56 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3e1d n ARG 10 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3e1d n LYS 11 N -0.86 0.00 -1.92 5.56 2.85 -1.26 -4.88 118.16 117.65 3e1d n LYS 11 Ca 0.13 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.99 3e1d n LYS 11 Cb 0.06 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 32.95 3e1d n LYS 11 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3e1d s MET 12 N -2.00 3.83 0.04 -1.58 1.75 -1.26 -5.07 119.30 115.01 3e1d s MET 12 Ca 0.00 2.30 -0.01 0.00 -1.25 0.00 0.00 55.69 56.73 3e1d s MET 12 Cb 0.00 -2.71 -0.03 0.00 2.84 0.00 0.00 34.83 34.92 3e1d s MET 12 CO 0.00 -0.66 -0.02 -1.58 -0.65 0.00 0.00 175.02 172.11 3e1d s HIS 13 N -1.23 0.45 -1.82 4.11 5.04 -1.26 -5.06 115.29 115.52 3e1d s HIS 13 Ca 0.59 -0.94 0.31 0.00 -1.54 0.00 0.00 55.06 53.48 3e1d s HIS 13 Cb -0.41 -0.34 1.74 0.00 0.04 0.00 0.00 32.58 33.62 3e1d s HIS 13 CO 0.53 -0.34 2.14 0.36 -2.34 0.00 0.00 174.74 175.09 3e1d n LYS 14 N 0.44 0.80 -3.50 2.88 2.85 -1.26 -4.59 118.16 115.79 3e1d n LYS 14 Ca -0.16 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.90 3e1d n LYS 14 Cb 0.60 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.35 3e1d n LYS 14 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3e1d s GLY 15 N -2.18 0.08 0.02 2.58 0.00 -1.22 -2.95 107.32 103.66 3e1d s GLY 15 Ca 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.04 3e1d s GLY 15 CO 0.39 2.18 -0.04 0.50 0.00 0.00 0.00 173.10 176.13 3e1d s ARG 16 N 2.28 0.35 1.04 2.90 0.52 -1.26 -4.87 118.95 119.91 3e1d s ARG 16 Ca 0.07 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 3e1d s ARG 16 Cb -0.15 -0.01 0.21 0.00 0.52 0.00 0.00 34.95 35.52 3e1d s ARG 16 CO -0.19 -0.02 1.12 -0.80 0.02 0.00 0.00 175.30 175.44 3e1d s ASN 17 N -1.36 2.30 -0.53 0.23 -0.87 -1.26 -4.90 114.94 108.56 3e1d s ASN 17 Ca -0.13 0.89 -0.26 0.00 -1.57 0.00 0.00 52.86 51.80 3e1d s ASN 17 Cb -0.09 -1.37 -0.24 0.00 -0.02 0.00 0.00 41.25 39.53 3e1d s ASN 17 CO -0.01 -3.30 1.81 0.54 -2.57 0.00 0.00 177.10 173.57 3e1d n ARG 18 N -4.25 0.86 -1.27 -0.60 3.00 -1.26 -4.86 116.66 108.28 3e1d n ARG 18 Ca 0.08 -1.56 -0.24 0.00 -0.01 0.00 0.00 57.85 56.12 3e1d n ARG 18 Cb 0.59 -2.88 -0.10 0.00 0.00 0.00 0.00 32.46 30.07 3e1d n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3e1d n GLY 19 N 4.89 3.77 3.76 -0.13 0.00 -1.26 -5.02 105.19 111.21 3e1d n GLY 19 Ca 0.48 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 3e1d n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1d s LEU 20 N -0.63 4.48 0.64 0.99 1.43 -1.26 -4.80 118.68 119.53 3e1d s LEU 20 Ca 0.65 2.34 -0.11 0.00 -1.03 0.00 0.00 54.13 55.98 3e1d s LEU 20 Cb 0.29 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 3e1d s LEU 20 CO -0.07 -0.27 -0.52 0.00 0.23 0.00 0.00 176.35 175.72 3e1d n ALA 21 N 0.97 -4.44 -3.14 4.21 0.00 -1.26 -5.07 120.51 111.78 3e1d n ALA 21 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 3e1d n ALA 21 Cb 0.45 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 3e1d n ALA 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3e1d s GLN 22 N -1.29 1.30 0.00 0.00 -0.44 -1.26 -5.14 119.66 112.83 3e1d s GLN 22 Ca 0.26 -0.92 0.00 0.00 -2.50 0.00 0.00 55.36 52.20 3e1d s GLN 22 Cb -0.12 0.48 0.00 0.00 -1.64 0.00 0.00 33.01 31.74 3e1d s GLN 22 CO 0.53 -0.53 0.00 0.41 0.50 0.00 0.00 175.29 176.20 3e1d n GLY 23 N -0.30 3.34 2.62 2.59 0.00 -1.26 -5.01 105.19 107.17 3e1d n GLY 23 Ca -0.10 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 3e1d n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3e1d n THR 24 N -1.93 -0.06 -0.27 2.61 5.66 -1.26 -4.91 114.28 114.13 3e1d n THR 24 Ca 0.00 -2.11 -0.19 0.00 -3.05 0.00 0.00 64.05 58.70 3e1d n THR 24 Cb 0.00 1.08 0.18 0.00 -1.55 0.00 0.00 70.33 70.04 3e1d n THR 24 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3e1d n ASP 25 N 0.59 -3.09 0.00 1.09 4.64 -1.26 -5.04 116.55 113.48 3e1d n ASP 25 Ca 0.10 -0.62 0.00 0.00 -1.38 0.00 0.00 54.79 52.89 3e1d n ASP 25 Cb 0.68 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 40.13 3e1d n ASP 25 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 3e1d n VAL 26 N -4.65 0.00 0.00 5.18 3.14 -1.26 -4.93 118.33 115.81 3e1d n VAL 26 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3e1d n VAL 26 Cb 0.38 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 3e1d n VAL 26 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3e1d n SER 27 N -1.55 0.00 0.00 6.55 7.64 -1.26 -4.49 113.62 120.51 3e1d n SER 27 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3e1d n SER 27 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3e1d n SER 27 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3e1d n PHE 28 N 0.00 -0.06 0.00 1.43 -0.00 -1.26 -5.00 117.46 112.57 3e1d n PHE 28 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3e1d n PHE 28 Cb 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 3e1d n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3e1d n GLY 29 N 1.76 0.83 5.89 7.13 0.00 -1.26 -5.06 105.19 114.49 3e1d n GLY 29 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3e1d n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3e1d n SER 30 N 2.34 0.00 -0.27 1.61 3.41 -1.26 0.26 113.62 119.71 3e1d n SER 30 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.79 3e1d n SER 30 Cb 0.00 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 3e1d n SER 30 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3e1d h PHE 31 N 0.00 0.67 0.00 7.33 3.57 -1.89 -3.42 116.94 123.20 3e1d h PHE 31 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3e1d h PHE 31 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3e1d h PHE 31 CO 0.00 0.17 0.00 0.41 -2.23 0.00 0.00 178.31 176.66 3e1d n GLY 32 N -1.47 1.10 3.50 2.40 0.00 0.14 -4.84 105.19 106.01 3e1d n GLY 32 Ca 0.20 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3e1d n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3e1d n LEU 33 N 0.00 0.78 -4.43 0.99 7.94 -1.26 -4.57 117.00 116.45 3e1d n LEU 33 Ca 0.00 0.00 -0.63 0.00 -1.11 0.00 0.00 56.01 54.27 3e1d n LEU 33 Cb 0.00 -1.25 -0.11 0.00 0.53 0.00 0.00 43.42 42.58 3e1d n LEU 33 CO 0.00 -0.43 1.52 2.29 -1.11 0.00 0.00 177.39 179.67 3e1d n LYS 34 N -1.16 0.04 -4.25 1.96 2.85 -1.26 -1.29 118.16 115.05 3e1d n LYS 34 Ca 0.00 0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 57.03 3e1d n LYS 34 Cb 0.03 -1.53 -0.08 0.00 -0.65 0.00 0.00 35.03 32.81 3e1d n LYS 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1d s ALA 35 N 4.95 3.36 -0.05 0.58 0.00 -0.54 -4.81 121.76 125.24 3e1d s ALA 35 Ca 1.14 -1.98 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3e1d s ALA 35 Cb -1.48 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 3e1d s ALA 35 CO 0.71 -0.00 -0.02 0.28 0.00 0.00 0.00 175.76 176.73 3e1d n VAL 36 N -1.06 0.32 -1.44 0.00 0.31 -1.26 -4.30 118.33 110.88 3e1d n VAL 36 Ca -0.03 -0.15 -0.47 0.00 -0.01 0.00 0.00 64.34 63.68 3e1d n VAL 36 Cb 0.63 -0.78 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 3e1d n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3e1d n GLY 37 N 3.00 0.01 1.18 2.92 0.00 -1.26 -4.91 105.19 106.12 3e1d n GLY 37 Ca -0.09 0.99 0.00 0.00 0.00 0.00 0.00 46.02 46.92 3e1d n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1d n ARG 38 N 8.31 0.94 -0.71 1.61 0.63 -1.26 -4.47 116.66 121.70 3e1d n ARG 38 Ca 0.51 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.11 3e1d n ARG 38 Cb 0.17 -1.03 0.16 0.00 0.45 0.00 0.00 32.46 32.21 3e1d n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3e1d n GLY 39 N 0.86 -2.45 0.00 5.14 0.00 -1.26 -4.72 105.19 102.76 3e1d n GLY 39 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.28 3e1d n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1d n ARG 40 N -1.80 0.26 -1.46 1.61 1.74 -1.26 -4.09 116.66 111.66 3e1d n ARG 40 Ca 0.02 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.65 3e1d n ARG 40 Cb 0.61 -1.17 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 3e1d n ARG 40 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3e1d n LEU 41 N -0.67 1.00 -4.48 0.55 4.32 -1.26 -4.85 117.00 111.60 3e1d n LEU 41 Ca 0.02 0.16 -0.30 0.00 -0.02 0.00 0.00 56.01 55.87 3e1d n LEU 41 Cb 0.01 -1.09 0.22 0.00 -1.62 0.00 0.00 43.42 40.94 3e1d n LEU 41 CO 0.02 -0.89 0.38 1.07 -1.22 0.00 0.00 177.39 176.74 3e1d n THR 42 N 7.40 0.00 -0.24 -5.08 5.66 -1.26 -2.04 114.28 118.72 3e1d n THR 42 Ca 0.55 -0.33 0.02 0.00 -3.05 0.00 0.00 64.05 61.25 3e1d n THR 42 Cb 0.14 -0.93 0.11 0.00 -1.55 0.00 0.00 70.33 68.10 3e1d n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3e1d h ALA 43 N -2.42 0.58 0.00 1.79 0.00 -1.53 0.06 119.26 117.73 3e1d h ALA 43 Ca -0.56 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3e1d h ALA 43 Cb 1.32 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3e1d h ALA 43 CO 0.45 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.82 3e1d n ARG 44 N -5.42 0.08 -0.00 0.00 3.00 -1.26 -1.83 116.66 111.23 3e1d n ARG 44 Ca 0.11 0.57 0.10 0.00 -0.01 0.00 0.00 57.85 58.62 3e1d n ARG 44 Cb 0.40 -1.76 -0.12 0.00 0.00 0.00 0.00 32.46 30.98 3e1d n ARG 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3e1d n GLN 45 N -1.92 0.23 -0.05 5.56 6.02 0.00 -3.82 117.38 123.40 3e1d n GLN 45 Ca -0.01 -0.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.77 3e1d n GLN 45 Cb 0.02 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 29.70 3e1d n GLN 45 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3e1d h ILE 46 N 0.00 1.33 -0.28 5.09 5.03 -1.39 -3.31 117.51 123.99 3e1d h ILE 46 Ca 0.00 -1.71 0.00 0.00 -0.12 0.00 0.00 64.86 63.03 3e1d h ILE 46 Cb 0.68 1.97 0.00 0.00 -3.03 0.00 0.00 36.82 36.43 3e1d h ILE 46 CO 0.00 0.53 0.00 -1.84 -0.68 0.00 0.00 178.15 176.16 3e1d n GLU 47 N -4.21 1.90 -0.13 2.37 0.28 -1.23 -4.69 120.64 114.92 3e1d n GLU 47 Ca -0.07 -1.38 -0.03 0.00 -0.16 0.00 0.00 57.16 55.52 3e1d n GLU 47 Cb 0.57 -1.38 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 3e1d n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3e1d n ALA 48 N 0.60 -0.20 0.62 -1.84 0.00 -1.24 -0.16 120.51 118.29 3e1d n ALA 48 Ca 0.16 0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.94 3e1d n ALA 48 Cb 0.37 -0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.17 3e1d n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d n ALA 49 N -3.43 1.78 -0.39 0.00 0.00 -1.26 -0.59 120.51 116.61 3e1d n ALA 49 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3e1d n ALA 49 Cb 0.08 -1.25 0.12 0.00 0.00 0.00 0.00 19.45 18.40 3e1d n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3e1d n ARG 50 N -1.41 2.70 0.00 0.00 1.74 0.78 -4.54 116.66 115.93 3e1d n ARG 50 Ca 0.05 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 3e1d n ARG 50 Cb 0.16 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3e1d n ARG 50 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3e1d n ARG 51 N -0.26 0.00 -0.04 5.56 5.12 0.24 -4.99 116.66 122.30 3e1d n ARG 51 Ca 0.10 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.03 3e1d n ARG 51 Cb 0.48 -0.04 0.01 0.00 -1.16 0.00 0.00 32.46 31.75 3e1d n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3e1d n ALA 52 N -2.47 1.52 -2.68 7.54 0.00 -0.28 -5.07 120.51 119.07 3e1d n ALA 52 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 53.44 52.42 3e1d n ALA 52 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.25 3e1d n ALA 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3e1d s MET 53 N -0.54 0.76 0.00 0.00 -2.45 -1.08 -4.94 119.30 111.05 3e1d s MET 53 Ca 0.02 -0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.03 3e1d s MET 53 Cb 0.01 -0.73 0.00 0.00 1.25 0.00 0.00 34.83 35.37 3e1d s MET 53 CO 0.00 0.19 0.00 2.41 1.05 0.00 0.00 175.02 178.68 3e1d n THR 54 N 2.60 0.00 0.21 10.11 -1.04 -1.26 -4.39 114.28 120.51 3e1d n THR 54 Ca -0.15 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.04 3e1d n THR 54 Cb 0.56 0.00 0.78 0.00 -1.82 0.00 0.00 70.33 69.85 3e1d n THR 54 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3e1d h ARG 55 N 0.00 0.00 -1.00 -2.82 2.43 -1.92 -3.23 114.38 107.84 3e1d h ARG 55 Ca 0.00 0.00 0.39 0.00 -0.81 0.00 0.00 59.98 59.56 3e1d h ARG 55 Cb 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.40 3e1d h ARG 55 CO 0.00 0.00 0.58 0.00 -1.51 0.00 0.00 179.97 179.04 3e1d n ALA 56 N -2.12 1.02 -4.09 2.80 0.00 -1.26 -4.81 120.51 112.04 3e1d n ALA 56 Ca 0.03 0.87 -0.17 0.00 0.00 0.00 0.00 53.44 54.16 3e1d n ALA 56 Cb 0.50 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 3e1d n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3e1d n VAL 57 N -4.84 0.00 1.69 0.00 0.24 -1.22 -5.04 118.33 109.15 3e1d n VAL 57 Ca 0.35 -1.98 0.09 0.00 -2.04 0.00 0.00 64.34 60.76 3e1d n VAL 57 Cb 1.23 1.12 0.52 0.00 -1.47 0.00 0.00 33.84 35.24 3e1d n VAL 57 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3e1d n LYS 58 N -0.59 0.84 -0.02 7.34 5.02 -1.26 -4.90 118.16 124.60 3e1d n LYS 58 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3e1d n LYS 58 Cb 0.58 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3e1d n LYS 58 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3e1d n ARG 59 N -0.82 0.00 -2.39 1.97 1.85 -1.26 -4.90 116.66 111.10 3e1d n ARG 59 Ca 0.13 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.61 3e1d n ARG 59 Cb 0.06 -2.86 -0.03 0.00 -1.05 0.00 0.00 32.46 28.58 3e1d n ARG 59 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3e1d s GLN 60 N -0.04 3.32 0.29 2.89 -0.21 -1.26 -4.94 119.66 119.72 3e1d s GLN 60 Ca 0.00 -1.15 0.03 0.00 0.02 0.00 0.00 55.36 54.26 3e1d s GLN 60 Cb 0.00 -5.32 -0.04 0.00 1.00 0.00 0.00 33.01 28.65 3e1d s GLN 60 CO 0.00 -2.69 0.19 0.20 -2.12 0.00 0.00 175.29 170.87 3e1d s GLY 61 N 5.65 2.01 -0.08 3.09 0.00 -1.26 -5.13 107.32 111.60 3e1d s GLY 61 Ca 0.56 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 3e1d s GLY 61 CO -0.01 -1.51 2.08 0.28 0.00 0.00 0.00 173.10 173.94 3e1d n LYS 62 N -0.52 2.46 -4.14 2.90 5.02 -1.26 -5.02 118.16 117.59 3e1d n LYS 62 Ca 0.03 0.82 -0.15 0.00 -2.02 0.00 0.00 58.31 56.99 3e1d n LYS 62 Cb 0.64 -3.09 -0.13 0.00 -0.02 0.00 0.00 35.03 32.43 3e1d n LYS 62 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3e1d s ILE 63 N 6.11 0.52 -0.36 -0.18 1.01 -1.26 -0.09 121.20 126.95 3e1d s ILE 63 Ca 0.94 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.99 3e1d s ILE 63 Cb -0.40 -0.51 0.10 0.00 0.01 0.00 0.00 42.46 41.66 3e1d s ILE 63 CO 0.40 -0.09 0.09 0.26 0.00 0.00 0.00 174.94 175.60 3e1d s TRP 64 N -0.68 3.72 -0.04 3.97 0.52 -0.76 -4.95 118.94 120.71 3e1d s TRP 64 Ca -0.03 -2.87 -0.01 0.00 0.02 0.00 0.00 56.10 53.21 3e1d s TRP 64 Cb -0.06 -3.00 0.03 0.00 -1.15 0.00 0.00 33.47 29.29 3e1d s TRP 64 CO 0.00 -0.95 0.07 0.42 0.02 0.00 0.00 176.95 176.51 3e1d s ILE 65 N 0.94 -0.06 -0.24 2.03 1.01 -1.26 -4.56 121.20 119.05 3e1d s ILE 65 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3e1d s ILE 65 Cb -0.20 -0.14 0.06 0.00 0.01 0.00 0.00 42.46 42.19 3e1d s ILE 65 CO -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 174.94 174.93 3e1d s ARG 66 N 1.18 1.44 -0.20 2.79 1.70 -1.26 -5.07 118.95 119.52 3e1d s ARG 66 Ca -0.08 -0.96 -0.06 0.00 -0.47 0.00 0.00 55.73 54.16 3e1d s ARG 66 Cb -0.12 -2.52 -0.03 0.00 -0.57 0.00 0.00 34.95 31.71 3e1d s ARG 66 CO -0.04 -0.64 0.03 0.54 -1.08 0.00 0.00 175.30 174.10 3e1d s VAL 67 N 1.45 4.23 -0.37 4.99 0.11 -1.26 -5.06 120.40 124.49 3e1d s VAL 67 Ca -0.04 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 3e1d s VAL 67 Cb -0.19 -2.92 0.15 0.00 -1.53 0.00 0.00 36.38 31.89 3e1d s VAL 67 CO -0.08 0.42 0.26 0.72 -3.33 0.00 0.00 175.10 173.09 3e1d s PHE 68 N 0.91 0.72 -0.35 1.54 -0.12 -1.26 -4.86 117.98 114.56 3e1d s PHE 68 Ca 0.02 -1.74 0.09 0.00 -0.05 0.00 0.00 56.93 55.25 3e1d s PHE 68 Cb -0.14 -0.87 0.69 0.00 -0.63 0.00 0.00 43.02 42.08 3e1d s PHE 68 CO 0.02 -0.84 1.78 -0.35 -0.05 0.00 0.00 175.22 175.78 3e1d n PRO 69 N 3.75 3.11 0.00 1.99 -0.04 -1.26 -4.58 135.00 137.96 3e1d n PRO 69 Ca 0.16 -3.07 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 3e1d n PRO 69 Cb 0.40 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3e1d n PRO 69 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3e1d n ASP 70 N -0.54 0.19 -2.65 3.54 9.92 -1.26 -3.66 116.55 122.09 3e1d n ASP 70 Ca 0.44 -0.44 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 3e1d n ASP 70 Cb 1.40 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 41.79 3e1d n ASP 70 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3e1d n LYS 71 N 0.24 2.57 -1.81 -1.24 2.85 -1.26 -4.83 118.16 114.68 3e1d n LYS 71 Ca 0.00 -4.12 -0.29 0.00 -1.05 0.00 0.00 58.31 52.85 3e1d n LYS 71 Cb 0.05 -1.92 0.09 0.00 -0.65 0.00 0.00 35.03 32.59 3e1d n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3e1d s PRO 72 N -3.33 2.08 -0.00 -1.58 0.04 -1.24 -4.62 135.00 126.35 3e1d s PRO 72 Ca 0.42 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3e1d s PRO 72 Cb 0.40 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.98 3e1d s PRO 72 CO -0.11 -1.55 0.01 0.44 0.04 0.00 0.00 177.00 175.83 3e1d n ILE 73 N -3.32 0.00 -0.24 0.56 -5.35 -1.26 -4.71 119.36 105.04 3e1d n ILE 73 Ca 0.07 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3e1d n ILE 73 Cb 0.59 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 3e1d n ILE 73 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3e1d n THR 74 N -1.07 0.00 -2.87 7.28 5.66 -1.26 -4.84 114.28 117.18 3e1d n THR 74 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3e1d n THR 74 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3e1d n THR 74 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3e1d n GLU 75 N -1.07 0.18 -3.68 1.09 2.13 -1.26 -5.00 120.64 113.04 3e1d n GLU 75 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3e1d n GLU 75 Cb 0.36 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.99 3e1d n GLU 75 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3e1d s LYS 76 N 1.13 0.70 0.68 5.31 0.00 -1.26 -3.38 119.74 122.92 3e1d s LYS 76 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 55.97 56.36 3e1d s LYS 76 Cb 0.00 0.33 0.17 0.00 0.00 0.00 0.00 37.83 38.33 3e1d s LYS 76 CO 0.00 -0.13 0.65 -0.35 0.00 0.00 0.00 175.35 175.52 3e1d n PRO 77 N 2.24 -1.96 -1.71 1.78 -0.04 -1.26 -5.04 135.00 129.02 3e1d n PRO 77 Ca -0.16 -1.03 -0.39 0.00 -0.04 0.00 0.00 63.50 61.88 3e1d n PRO 77 Cb 0.56 -0.91 0.03 0.00 -0.04 0.00 0.00 33.50 33.15 3e1d n PRO 77 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3e1d n LEU 78 N 0.00 4.71 0.00 1.53 7.94 -1.26 -4.38 117.00 125.54 3e1d n LEU 78 Ca 0.09 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3e1d n LEU 78 Cb 0.33 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.76 3e1d n LEU 78 CO 0.23 -0.80 0.00 0.00 -1.11 0.00 0.00 177.39 175.71 3e1d n ALA 79 N -0.84 0.00 1.35 1.96 0.00 -1.26 -4.74 120.51 116.98 3e1d n ALA 79 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3e1d n ALA 79 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3e1d n ALA 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3e1d n VAL 80 N 0.00 0.00 -0.52 0.00 0.24 -1.26 -4.77 118.33 112.02 3e1d n VAL 80 Ca 0.00 0.00 0.44 0.00 -2.04 0.00 0.00 64.34 62.74 3e1d n VAL 80 Cb 0.00 -0.20 0.77 0.00 -1.47 0.00 0.00 33.84 32.94 3e1d n VAL 80 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3e1d h ARG 81 N 0.06 0.02 -6.50 7.34 3.08 -1.85 -0.33 114.38 116.20 3e1d h ARG 81 Ca 0.00 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3e1d h ARG 81 Cb 0.13 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.19 3e1d h ARG 81 CO 0.00 0.01 0.63 0.00 -1.07 0.00 0.00 179.97 179.54 3e1d s MET 82 N -4.96 4.39 0.36 0.04 0.23 -1.26 -4.08 119.30 114.01 3e1d s MET 82 Ca -0.05 1.89 0.23 0.00 -1.03 0.00 0.00 55.69 56.73 3e1d s MET 82 Cb 0.26 -3.32 1.26 0.00 -1.53 0.00 0.00 34.83 31.50 3e1d s MET 82 CO 0.85 -0.33 1.40 0.41 -2.03 0.00 0.00 175.02 175.32 3e1d n GLY 83 N 3.33 -0.71 0.25 3.16 0.00 -1.26 -0.91 105.19 109.06 3e1d n GLY 83 Ca 0.10 0.70 0.08 0.00 0.00 0.00 0.00 46.02 46.90 3e1d n GLY 83 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3e1d h LYS 84 N 0.00 0.00 0.00 1.61 2.10 -1.91 -3.24 116.57 115.14 3e1d h LYS 84 Ca 0.77 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.42 3e1d h LYS 84 Cb 2.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.58 3e1d h LYS 84 CO -0.56 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.30 3e1d n GLY 85 N -1.29 0.00 0.02 0.07 0.00 -0.38 -5.00 105.19 98.61 3e1d n GLY 85 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3e1d n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1d n LYS 86 N -0.25 -0.02 0.00 1.61 4.81 -0.08 -4.77 118.16 119.45 3e1d n LYS 86 Ca 0.00 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3e1d n LYS 86 Cb 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 34.84 3e1d n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3e1d n GLY 87 N -1.01 -0.57 0.00 3.14 0.00 -1.15 -4.06 105.19 101.53 3e1d n GLY 87 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3e1d n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3e1d n ASN 88 N 0.00 0.04 -3.95 1.61 6.94 -1.25 -4.98 115.26 113.68 3e1d n ASN 88 Ca 0.00 -0.79 -0.25 0.00 -0.02 0.00 0.00 54.58 53.52 3e1d n ASN 88 Cb 0.00 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.25 3e1d n ASN 88 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3e1d s VAL 89 N -1.76 1.01 -0.73 3.53 1.01 -1.26 -4.45 120.40 117.74 3e1d s VAL 89 Ca 0.00 -0.34 0.16 0.00 0.00 0.00 0.00 61.98 61.80 3e1d s VAL 89 Cb 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 36.38 35.22 3e1d s VAL 89 CO 0.00 0.35 0.68 -1.84 0.00 0.00 0.00 175.10 174.28 3e1d n GLU 90 N 4.38 1.59 -3.88 2.72 0.00 -1.26 -5.02 120.64 119.17 3e1d n GLU 90 Ca -0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 57.16 56.68 3e1d n GLU 90 Cb 0.51 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.68 3e1d n GLU 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3e1d n TYR 91 N -1.41 -1.70 -1.22 -1.84 0.53 -1.26 -4.77 117.16 105.48 3e1d n TYR 91 Ca 0.03 0.57 -0.34 0.00 -1.02 0.00 0.00 57.90 57.14 3e1d n TYR 91 Cb 0.26 -3.51 0.12 0.00 -1.03 0.00 0.00 39.34 35.17 3e1d n TYR 91 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 3e1d n TRP 92 N -4.40 1.38 -0.01 -0.72 -0.00 -1.26 -1.61 117.44 110.83 3e1d n TRP 92 Ca -0.22 0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 3e1d n TRP 92 Cb 0.64 -2.14 0.00 0.00 -0.00 0.00 0.00 31.31 29.82 3e1d n TRP 92 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3e1d n VAL 93 N -3.03 0.00 -1.48 5.87 3.14 -1.11 -4.53 118.33 117.19 3e1d n VAL 93 Ca 0.14 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.53 3e1d n VAL 93 Cb 0.50 0.06 -0.01 0.00 -1.06 0.00 0.00 33.84 33.33 3e1d n VAL 93 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1d n ALA 94 N 0.00 -1.95 -2.80 1.55 0.00 -0.87 -4.75 120.51 111.70 3e1d n ALA 94 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 3e1d n ALA 94 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 3e1d n ALA 94 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3e1d s LEU 95 N -5.34 4.51 -0.04 0.00 1.98 -1.26 -4.80 118.68 113.72 3e1d s LEU 95 Ca 0.00 -2.08 -0.24 0.00 -2.89 0.00 0.00 54.13 48.92 3e1d s LEU 95 Cb 0.00 -2.46 -0.18 0.00 0.66 0.00 0.00 46.19 44.20 3e1d s LEU 95 CO 0.00 -1.14 1.05 0.40 -1.89 0.00 0.00 176.35 174.77 3e1d h ILE 96 N 5.88 1.11 0.00 6.68 1.08 -1.89 -3.37 117.51 127.00 3e1d h ILE 96 Ca 0.22 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3e1d h ILE 96 Cb 0.98 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.54 3e1d h ILE 96 CO 1.25 0.27 0.00 0.00 -0.69 0.00 0.00 178.15 178.98 3e1d n GLN 97 N -4.90 0.00 -1.19 2.37 1.13 -1.26 -4.82 117.38 108.71 3e1d n GLN 97 Ca -0.08 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.60 3e1d n GLN 97 Cb 0.28 -0.02 0.03 0.00 0.11 0.00 0.00 30.24 30.64 3e1d n GLN 97 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3e1d n PRO 98 N 0.00 0.07 0.00 -1.09 -0.02 -1.26 -3.77 135.00 128.93 3e1d n PRO 98 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3e1d n PRO 98 Cb 0.13 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3e1d n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e1d n GLY 99 N 2.60 1.24 0.21 -1.23 0.00 -0.41 -1.46 105.19 106.13 3e1d n GLY 99 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3e1d n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1d h LYS 100 N 0.14 0.00 0.00 1.61 1.57 -1.86 -1.19 116.57 116.84 3e1d h LYS 100 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3e1d h LYS 100 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.14 3e1d h LYS 100 CO 0.00 0.00 -0.51 1.55 -0.57 0.00 0.00 179.45 179.92 3e1d n VAL 101 N -2.25 0.00 -1.30 0.50 3.14 -1.26 -4.31 118.33 112.84 3e1d n VAL 101 Ca -0.01 -0.31 -0.10 0.00 -2.96 0.00 0.00 64.34 60.96 3e1d n VAL 101 Cb 0.41 0.57 -0.09 0.00 -1.06 0.00 0.00 33.84 33.66 3e1d n VAL 101 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3e1d n LEU 102 N 0.16 -0.80 -4.55 6.55 0.00 -0.45 -4.89 117.00 113.02 3e1d n LEU 102 Ca -0.08 -1.42 -0.43 0.00 0.00 0.00 0.00 56.01 54.09 3e1d n LEU 102 Cb 0.81 -0.92 -0.04 0.00 0.00 0.00 0.00 43.42 43.26 3e1d n LEU 102 CO -0.06 -2.09 0.83 -0.47 0.00 0.00 0.00 177.39 175.60 3e1d s TYR 103 N 5.09 2.79 0.45 1.96 6.14 -1.26 -1.83 117.35 130.68 3e1d s TYR 103 Ca 0.59 0.21 0.34 0.00 0.64 0.00 0.00 57.07 58.86 3e1d s TYR 103 Cb -0.24 -4.14 1.78 0.00 0.42 0.00 0.00 41.96 39.78 3e1d s TYR 103 CO 0.19 -1.32 2.17 1.49 0.64 0.00 0.00 175.55 178.72 3e1d h GLU 104 N 9.29 0.00 -7.49 4.97 4.81 -0.85 -3.43 114.58 121.87 3e1d h GLU 104 Ca -0.25 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.54 3e1d h GLU 104 Cb 1.07 0.00 0.17 0.00 0.63 0.00 0.00 28.75 30.62 3e1d h GLU 104 CO 1.09 0.05 0.24 -1.64 -0.73 0.00 0.00 179.01 178.01 3e1d s MET 105 N -4.11 -0.05 -0.65 1.92 -1.94 -1.26 -4.95 119.30 108.27 3e1d s MET 105 Ca -0.03 0.05 -0.26 0.00 -1.71 0.00 0.00 55.69 53.74 3e1d s MET 105 Cb 0.12 -1.72 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 3e1d s MET 105 CO 0.52 -2.95 1.97 0.16 -0.01 0.00 0.00 175.02 174.71 3e1d s ASP 106 N -4.04 5.08 0.00 3.03 1.47 -1.26 -4.90 116.67 116.05 3e1d s ASP 106 Ca 0.69 0.27 0.00 0.00 1.18 0.00 0.00 52.55 54.69 3e1d s ASP 106 Cb -0.11 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 3e1d s ASP 106 CO 0.55 -2.56 0.00 0.61 0.68 0.00 0.00 175.17 174.45 3e1d n GLY 107 N 5.97 2.48 2.89 2.12 0.00 -1.26 -5.20 105.19 112.18 3e1d n GLY 107 Ca 0.27 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 3e1d n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e1d s VAL 108 N -2.77 0.33 0.57 1.61 1.01 -1.26 -5.02 120.40 114.86 3e1d s VAL 108 Ca 0.00 -0.08 0.32 0.00 0.00 0.00 0.00 61.98 62.22 3e1d s VAL 108 Cb 0.00 -0.34 0.47 0.00 0.00 0.00 0.00 36.38 36.51 3e1d s VAL 108 CO 0.00 0.14 1.74 -0.65 0.00 0.00 0.00 175.10 176.33 3e1d h PRO 109 N 6.66 0.00 -0.07 2.72 0.11 -1.92 -3.02 132.00 136.49 3e1d h PRO 109 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3e1d h PRO 109 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3e1d h PRO 109 CO 0.49 0.00 0.04 1.49 -0.21 0.00 0.00 178.00 179.81 3e1d h GLU 110 N 0.00 0.10 -0.88 1.05 4.81 -1.97 -3.37 114.58 114.32 3e1d h GLU 110 Ca 0.44 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3e1d h GLU 110 Cb 2.04 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.36 3e1d h GLU 110 CO -0.00 0.15 0.48 0.93 -0.73 0.00 0.00 179.01 179.84 3e1d h GLU 111 N 0.01 1.22 -0.01 1.92 4.39 -1.99 -3.02 114.58 117.12 3e1d h GLU 111 Ca 0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3e1d h GLU 111 Cb 0.09 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3e1d h GLU 111 CO -0.00 0.89 -0.69 1.28 -1.16 0.00 0.00 179.01 179.32 3e1d n LEU 112 N -4.33 1.32 0.04 1.33 4.77 -1.26 -4.74 117.00 114.13 3e1d n LEU 112 Ca 0.09 -0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 55.26 3e1d n LEU 112 Cb 0.10 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 3e1d n LEU 112 CO 0.39 0.28 0.07 0.00 -1.33 0.00 0.00 177.39 176.80 3e1d h ALA 113 N 3.03 -0.07 0.00 -1.18 0.00 -1.69 -3.35 119.26 115.99 3e1d h ALA 113 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3e1d h ALA 113 Cb 0.55 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3e1d h ALA 113 CO 0.00 0.37 0.00 0.54 0.00 0.00 0.00 179.25 180.16 3e1d n ARG 114 N -4.14 0.02 0.26 0.00 3.00 -1.26 -4.61 116.66 109.92 3e1d n ARG 114 Ca -0.13 0.33 0.14 0.00 -0.01 0.00 0.00 57.85 58.18 3e1d n ARG 114 Cb 0.81 -1.54 0.67 0.00 0.00 0.00 0.00 32.46 32.40 3e1d n ARG 114 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3e1d h GLU 115 N 0.00 0.00 -1.42 5.56 4.39 -1.94 -3.19 114.58 117.98 3e1d h GLU 115 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 3e1d h GLU 115 Cb 0.19 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.60 3e1d h GLU 115 CO 0.00 0.12 -0.60 0.00 -1.16 0.00 0.00 179.01 177.37 3e1d s ALA 116 N -3.87 -1.27 -2.50 3.43 0.00 -1.26 -4.68 121.76 111.60 3e1d s ALA 116 Ca -0.01 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 51.54 3e1d s ALA 116 Cb 0.11 -2.40 0.95 0.00 0.00 0.00 0.00 23.12 21.77 3e1d s ALA 116 CO 0.58 -2.18 1.69 1.97 0.00 0.00 0.00 175.76 177.82 3e1d n PHE 117 N 3.63 0.00 0.01 0.00 1.16 -1.21 -0.50 117.46 120.54 3e1d n PHE 117 Ca 0.16 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.78 3e1d n PHE 117 Cb 0.52 -0.01 -0.11 0.00 -1.61 0.00 0.00 39.48 38.28 3e1d n PHE 117 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3e1d n LYS 118 N 0.24 0.64 0.00 3.97 3.00 -1.26 -3.60 118.16 121.15 3e1d n LYS 118 Ca 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 3e1d n LYS 118 Cb 0.38 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.74 3e1d n LYS 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3e1d n LEU 119 N -2.62 0.16 -1.98 3.14 7.94 -1.21 -3.83 117.00 118.60 3e1d n LEU 119 Ca -0.11 0.75 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 3e1d n LEU 119 Cb 0.76 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.38 3e1d n LEU 119 CO 0.43 -0.33 0.00 0.00 -1.11 0.00 0.00 177.39 176.39 3e1d n ALA 120 N -1.48 1.37 -0.69 1.96 0.00 0.34 -4.75 120.51 117.26 3e1d n ALA 120 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3e1d n ALA 120 Cb 0.00 -1.77 0.17 0.00 0.00 0.00 0.00 19.45 17.85 3e1d n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d n ALA 121 N 1.85 -3.16 -0.08 0.00 0.00 -1.24 -4.73 120.51 113.15 3e1d n ALA 121 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3e1d n ALA 121 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3e1d n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d n ALA 122 N -4.19 -0.54 -2.64 0.00 0.00 -1.26 -4.84 120.51 107.04 3e1d n ALA 122 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 3e1d n ALA 122 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 3e1d n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3e1d s LYS 123 N 0.00 2.03 -0.60 0.00 3.01 -1.26 -4.55 119.74 118.37 3e1d s LYS 123 Ca 0.00 -2.15 -0.07 0.00 -1.01 0.00 0.00 55.97 52.74 3e1d s LYS 123 Cb 0.00 -1.64 0.15 0.00 -1.01 0.00 0.00 37.83 35.33 3e1d s LYS 123 CO 0.00 -0.12 0.45 -0.51 0.51 0.00 0.00 175.35 175.68 3e1d s LEU 124 N -3.76 5.66 -0.09 3.17 1.43 -1.26 -5.05 118.68 118.78 3e1d s LEU 124 Ca 0.29 -2.47 -0.30 0.00 -1.03 0.00 0.00 54.13 50.62 3e1d s LEU 124 Cb 0.08 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3e1d s LEU 124 CO 0.15 -0.52 1.26 -2.16 0.23 0.00 0.00 176.35 175.31 3e1d s PRO 125 N 0.51 4.30 0.10 1.29 0.04 -1.26 -4.91 135.00 135.07 3e1d s PRO 125 Ca 0.13 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 3e1d s PRO 125 Cb -0.20 -3.64 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 3e1d s PRO 125 CO -0.04 -0.56 1.48 0.97 0.04 0.00 0.00 177.00 178.89 3e1d h ILE 126 N 5.18 1.29 0.00 0.56 2.10 -2.04 -3.38 117.51 121.22 3e1d h ILE 126 Ca -0.32 -1.25 0.00 0.00 1.08 0.00 0.00 64.86 64.37 3e1d h ILE 126 Cb 1.14 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 3e1d h ILE 126 CO 0.92 0.40 0.00 0.29 -1.08 0.00 0.00 178.15 178.68 3e1d n LYS 127 N -4.38 0.00 -3.12 2.19 5.02 -1.26 -4.80 118.16 111.82 3e1d n LYS 127 Ca -0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.87 3e1d n LYS 127 Cb 0.38 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 3e1d n LYS 127 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3e1d s THR 128 N -1.00 4.72 0.10 -0.18 -4.23 -1.26 -5.12 115.64 108.67 3e1d s THR 128 Ca 0.00 1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 61.81 3e1d s THR 128 Cb 0.00 -4.01 0.02 0.00 1.34 0.00 0.00 72.50 69.85 3e1d s THR 128 CO 0.00 0.45 0.31 0.42 -0.54 0.00 0.00 174.62 175.26 3e1d s THR 129 N -0.53 0.10 -1.61 3.99 -4.23 -1.26 -4.92 115.64 107.18 3e1d s THR 129 Ca 0.33 -0.82 0.21 0.00 -1.18 0.00 0.00 61.69 60.24 3e1d s THR 129 Cb -0.20 -1.21 0.45 0.00 1.34 0.00 0.00 72.50 72.88 3e1d s THR 129 CO 0.21 -0.45 1.68 2.22 -0.54 0.00 0.00 174.62 177.74 3e1d n PHE 130 N -0.08 0.00 -2.15 3.99 -0.00 -1.26 -4.53 117.46 113.43 3e1d n PHE 130 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 56.90 3e1d n PHE 130 Cb 0.63 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.48 39.89 3e1d n PHE 130 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3e1d n VAL 131 N -1.19 3.13 0.33 1.97 0.31 -1.26 -4.88 118.33 116.73 3e1d n VAL 131 Ca 0.12 -3.12 0.20 0.00 -0.01 0.00 0.00 64.34 61.53 3e1d n VAL 131 Cb 0.14 -2.35 1.09 0.00 -0.91 0.00 0.00 33.84 31.82 3e1d n VAL 131 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3e1d h THR 132 N 5.33 0.07 0.00 2.52 1.35 -1.81 -2.24 112.91 118.13 3e1d h THR 132 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 3e1d h THR 132 Cb 0.83 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3e1d h THR 132 CO 1.53 0.00 0.33 0.11 -0.25 0.00 0.00 175.52 177.24 3e1d h LYS 133 N 0.00 0.00 0.00 4.72 1.79 -1.91 -2.63 116.57 118.53 3e1d h LYS 133 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3e1d h LYS 133 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3e1d h LYS 133 CO -0.00 0.00 0.00 -2.37 -1.08 0.00 0.00 179.45 176.00 3e1d n THR 134 N -2.35 0.55 0.67 -0.16 5.66 -0.84 -3.63 114.28 114.18 3e1d n THR 134 Ca -0.01 0.14 0.11 0.00 -3.05 0.00 0.00 64.05 61.24 3e1d n THR 134 Cb 0.36 -0.82 0.46 0.00 -1.55 0.00 0.00 70.33 68.79 3e1d n THR 134 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3e1d n VAL 135 N -1.38 0.56 -0.75 1.08 0.24 -0.99 -5.07 118.33 112.01 3e1d n VAL 135 Ca 0.07 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3e1d n VAL 135 Cb 0.18 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 3e1d n VAL 135 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84