#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t s LEU 2 N 0.00 -0.43 0.12 4.03 0.20 -1.26 -5.15 118.68 116.20 1p6t s LEU 2 Ca 0.00 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.42 1p6t s LEU 2 Cb 0.00 1.51 0.00 0.00 -0.43 0.00 0.00 46.19 47.27 1p6t s LEU 2 CO 0.00 -0.09 0.00 -1.20 -0.29 0.00 0.00 176.35 174.77 1p6t n SER 3 N 4.66 -4.78 -2.58 3.68 7.64 -1.26 -4.74 113.62 116.24 1p6t n SER 3 Ca -0.10 0.52 -0.23 0.00 1.01 0.00 0.00 58.87 60.07 1p6t n SER 3 Cb 0.54 -1.71 -0.10 0.00 -1.01 0.00 0.00 64.21 61.92 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6t n GLU 4 N 0.16 2.66 -1.10 1.43 4.71 -1.26 -4.91 120.64 122.33 1p6t n GLU 4 Ca 0.00 -1.48 -0.34 0.00 -0.01 0.00 0.00 57.16 55.33 1p6t n GLU 4 Cb 0.00 -2.33 0.12 0.00 -1.01 0.00 0.00 31.44 28.22 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1p6t n GLN 5 N 3.01 0.15 -4.01 3.49 1.13 -1.26 -4.54 117.38 115.35 1p6t n GLN 5 Ca 0.57 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 55.64 1p6t n GLN 5 Cb 0.59 -2.30 -0.11 0.00 0.11 0.00 0.00 30.24 28.53 1p6t n GLN 5 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1p6t s LYS 6 N -3.87 0.38 0.24 -1.09 0.00 -0.53 -4.98 119.74 109.88 1p6t s LYS 6 Ca 0.71 -0.61 -0.02 0.00 0.00 0.00 0.00 55.97 56.05 1p6t s LYS 6 Cb -0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 37.83 37.43 1p6t s LYS 6 CO 0.53 -0.00 0.45 -1.83 0.00 0.00 0.00 175.35 174.50 1p6t s GLU 7 N -1.37 3.55 -0.04 1.78 1.03 -1.26 -1.57 118.70 120.82 1p6t s GLU 7 Ca -0.12 -0.26 -0.01 0.00 0.03 0.00 0.00 54.97 54.61 1p6t s GLU 7 Cb -0.09 -2.77 0.03 0.00 -0.80 0.00 0.00 34.13 30.50 1p6t s GLU 7 CO -0.00 0.33 0.04 -1.50 -1.33 0.00 0.00 175.26 172.80 1p6t s ILE 8 N -1.97 -0.05 -0.23 1.83 -1.16 0.44 -4.96 121.20 115.11 1p6t s ILE 8 Ca 0.40 0.34 -0.08 0.00 -0.51 0.00 0.00 60.65 60.80 1p6t s ILE 8 Cb -0.11 -0.17 -0.04 0.00 0.61 0.00 0.00 42.46 42.76 1p6t s ILE 8 CO 0.30 0.16 0.08 0.00 -2.81 0.00 0.00 174.94 172.67 1p6t s ALA 9 N 1.82 3.30 0.21 1.50 0.00 -1.26 -0.76 121.76 126.57 1p6t s ALA 9 Ca 0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1p6t s ALA 9 Cb -0.12 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1p6t s ALA 9 CO -0.03 -0.26 0.30 -1.64 0.00 0.00 0.00 175.76 174.14 1p6t s MET 10 N 1.19 1.34 0.07 0.00 -1.94 0.11 -3.77 119.30 116.30 1p6t s MET 10 Ca 0.05 -1.39 -0.18 0.00 -1.71 0.00 0.00 55.69 52.46 1p6t s MET 10 Cb -0.14 0.37 -0.07 0.00 2.01 0.00 0.00 34.83 37.00 1p6t s MET 10 CO 0.04 -0.50 0.54 -0.65 -0.01 0.00 0.00 175.02 174.43 1p6t s GLN 11 N -4.07 4.11 0.12 2.03 -0.21 -1.26 -0.04 119.66 120.34 1p6t s GLN 11 Ca 0.28 0.63 0.11 0.00 0.02 0.00 0.00 55.36 56.40 1p6t s GLN 11 Cb 0.03 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 1p6t s GLN 11 CO 0.09 0.62 -0.27 0.54 -2.12 0.00 0.00 175.29 174.15 1p6t s VAL 12 N -1.17 2.25 0.42 1.09 0.11 -1.07 -0.75 120.40 121.28 1p6t s VAL 12 Ca 0.30 -1.74 0.07 0.00 -2.93 0.00 0.00 61.98 57.68 1p6t s VAL 12 Cb -0.18 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 1p6t s VAL 12 CO 0.18 0.11 0.25 -0.44 -3.33 0.00 0.00 175.10 171.87 1p6t s SER 13 N -2.00 4.62 0.00 3.54 0.01 0.38 -4.69 113.70 115.56 1p6t s SER 13 Ca 0.14 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1p6t s SER 13 Cb -0.10 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1p6t s SER 13 CO 0.06 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1p6t n GLY 14 N -1.36 2.20 3.55 3.44 0.00 -1.26 -3.82 105.19 107.94 1p6t n GLY 14 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1p6t n GLY 14 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 15 N -2.00 0.73 0.14 1.61 0.00 -1.26 -4.75 117.12 111.59 1p6t n MET 15 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 57.70 57.35 1p6t n MET 15 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 33.22 29.87 1p6t n MET 15 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1p6t h THR 16 N 7.69 0.62 -1.58 1.12 2.02 -1.97 -3.48 112.91 117.33 1p6t h THR 16 Ca -0.11 -1.91 0.30 0.00 0.77 0.00 0.00 66.41 65.46 1p6t h THR 16 Cb 1.14 2.25 -0.12 0.00 -1.74 0.00 0.00 68.15 69.68 1p6t h THR 16 CO 1.12 0.35 0.78 0.00 0.37 0.00 0.00 175.52 178.14 1p6t h ALA 18 N 2.00 1.66 -0.93 0.00 0.00 -1.99 0.98 119.26 120.97 1p6t h ALA 18 Ca -0.27 0.30 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1p6t h ALA 18 Cb 1.20 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 1p6t h ALA 18 CO 0.27 -0.74 0.51 0.00 0.00 0.00 0.00 179.25 179.30 1p6t h ALA 19 N 1.97 1.49 0.33 0.00 0.00 -1.98 0.20 119.26 121.28 1p6t h ALA 19 Ca 0.72 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.70 1p6t h ALA 19 Cb 1.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1p6t h ALA 19 CO -0.83 -0.11 -0.16 0.00 0.00 0.00 0.00 179.25 178.15 1p6t h ALA 21 N -0.10 -0.65 -0.79 0.00 0.00 -1.39 -1.37 119.26 114.97 1p6t h ALA 21 Ca -0.05 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 21 Cb 0.47 1.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1p6t h ALA 21 CO 0.07 -0.98 0.52 0.00 0.00 0.00 0.00 179.25 178.86 1p6t h ALA 22 N 0.13 1.75 -0.27 0.00 0.00 -0.49 0.15 119.26 120.53 1p6t h ALA 22 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1p6t h ALA 22 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p6t h ALA 22 CO -0.58 0.09 0.14 0.00 0.00 0.00 0.00 179.25 178.90 1p6t h ARG 23 N 0.74 0.38 0.00 0.00 2.47 0.05 0.12 114.38 118.14 1p6t h ARG 23 Ca 0.36 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1p6t h ARG 23 Cb 0.42 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1p6t h ARG 23 CO -0.14 0.34 -0.00 0.82 0.56 0.00 0.00 179.97 181.56 1p6t h ILE 24 N 0.31 1.10 -0.28 2.04 2.04 0.04 0.11 117.51 122.88 1p6t h ILE 24 Ca 0.09 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.69 1p6t h ILE 24 Cb 0.08 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1p6t h ILE 24 CO -0.01 0.08 -0.04 -0.33 0.00 0.00 0.00 178.15 177.84 1p6t h GLU 25 N -0.14 0.03 -0.55 2.37 5.08 -0.67 0.47 114.58 121.17 1p6t h GLU 25 Ca -0.00 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1p6t h GLU 25 Cb 0.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1p6t h GLU 25 CO 0.00 0.02 0.05 -0.22 -1.00 0.00 0.00 179.01 177.85 1p6t h LYS 26 N 0.03 0.95 -0.70 2.33 3.64 -0.68 1.00 116.57 123.14 1p6t h LYS 26 Ca 0.13 -0.28 0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1p6t h LYS 26 Cb 0.19 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1p6t h LYS 26 CO -0.26 0.93 0.46 0.78 -2.27 0.00 0.00 179.45 179.09 1p6t h GLY 27 N 0.83 0.94 0.57 5.01 0.00 -0.14 -2.92 103.07 107.36 1p6t h GLY 27 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1p6t h GLY 27 CO 0.02 0.25 -0.06 1.41 0.00 0.00 0.00 176.54 178.16 1p6t h LEU 28 N 0.77 0.13 -1.95 3.11 3.38 0.88 -3.07 115.31 118.57 1p6t h LEU 28 Ca 0.29 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1p6t h LEU 28 Cb 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1p6t h LEU 28 CO -0.09 0.61 0.32 0.11 0.09 0.00 0.00 178.44 179.49 1p6t h LYS 29 N -0.35 0.00 -0.11 1.13 6.56 -0.65 0.42 116.57 123.57 1p6t h LYS 29 Ca 0.01 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.63 1p6t h LYS 29 Cb 0.58 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1p6t h LYS 29 CO 0.01 0.00 0.08 -0.09 -2.06 0.00 0.00 179.45 177.39 1p6t h ARG 30 N 0.00 0.00 -7.30 3.15 2.43 -1.42 -3.45 114.38 107.79 1p6t h ARG 30 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 1p6t h ARG 30 Cb 0.65 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.27 1p6t h ARG 30 CO 0.00 0.00 0.38 -1.64 -1.51 0.00 0.00 179.97 177.20 1p6t s MET 31 N -5.04 3.25 -0.09 0.20 -1.94 0.14 -5.02 119.30 110.80 1p6t s MET 31 Ca -0.05 0.95 -0.26 0.00 -1.71 0.00 0.00 55.69 54.62 1p6t s MET 31 Cb 0.17 -2.03 -0.26 0.00 2.01 0.00 0.00 34.83 34.72 1p6t s MET 31 CO 0.68 -0.85 0.90 -1.00 -0.01 0.00 0.00 175.02 174.74 1p6t h PRO 32 N -0.26 0.11 0.00 2.03 0.13 -1.88 -3.36 132.00 128.77 1p6t h PRO 32 Ca -0.45 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1p6t h PRO 32 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p6t h PRO 32 CO 0.58 0.99 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 1p6t n GLY 33 N 1.37 -1.47 3.69 1.56 0.00 -1.26 -4.76 105.19 104.32 1p6t n GLY 33 Ca -0.11 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1p6t n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6t s VAL 34 N -3.15 2.72 -0.17 1.61 0.11 -1.26 -0.16 120.40 120.11 1p6t s VAL 34 Ca 0.09 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 1p6t s VAL 34 Cb 0.12 -3.11 -0.14 0.00 -1.53 0.00 0.00 36.38 31.72 1p6t s VAL 34 CO 0.49 -0.00 0.17 0.74 -3.33 0.00 0.00 175.10 173.16 1p6t h THR 35 N 4.81 0.71 -3.39 5.04 2.02 -1.21 -3.48 112.91 117.42 1p6t h THR 35 Ca -0.45 -1.78 -0.04 0.00 0.77 0.00 0.00 66.41 64.91 1p6t h THR 35 Cb 1.21 1.59 -0.12 0.00 -1.74 0.00 0.00 68.15 69.09 1p6t h THR 35 CO 0.94 0.24 -0.04 -0.62 0.37 0.00 0.00 175.52 176.41 1p6t s ASP 36 N -6.34 -0.23 -0.08 4.18 2.15 -0.08 -5.03 116.67 111.24 1p6t s ASP 36 Ca -0.21 -0.44 -0.00 0.00 0.43 0.00 0.00 52.55 52.32 1p6t s ASP 36 Cb 0.03 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 1p6t s ASP 36 CO 0.45 -0.95 -0.04 0.00 -0.17 0.00 0.00 175.17 174.45 1p6t s ALA 37 N -3.85 0.97 0.14 3.66 0.00 -1.26 -0.60 121.76 120.81 1p6t s ALA 37 Ca 0.07 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1p6t s ALA 37 Cb 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1p6t s ALA 37 CO -0.06 -0.32 -0.15 -0.80 0.00 0.00 0.00 175.76 174.43 1p6t s ASN 38 N 1.59 2.14 -0.23 0.00 0.02 0.28 -4.94 114.94 113.79 1p6t s ASN 38 Ca 0.01 -0.84 -0.20 0.00 -1.02 0.00 0.00 52.86 50.80 1p6t s ASN 38 Cb -0.13 -0.08 0.06 0.00 0.02 0.00 0.00 41.25 41.12 1p6t s ASN 38 CO -0.05 -0.14 0.60 0.54 0.02 0.00 0.00 177.10 178.07 1p6t s VAL 39 N -2.25 -0.00 -0.69 1.60 0.11 -1.26 -0.39 120.40 117.52 1p6t s VAL 39 Ca 0.11 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1p6t s VAL 39 Cb -0.04 -0.84 0.17 0.00 -1.53 0.00 0.00 36.38 34.14 1p6t s VAL 39 CO 0.04 0.00 0.49 0.20 -3.33 0.00 0.00 175.10 172.50 1p6t s ASN 40 N 0.44 5.04 0.66 3.54 -0.87 0.52 -4.92 114.94 119.35 1p6t s ASN 40 Ca -0.01 -3.43 0.36 0.00 -1.57 0.00 0.00 52.86 48.21 1p6t s ASN 40 Cb -0.04 -1.74 1.96 0.00 -0.02 0.00 0.00 41.25 41.41 1p6t s ASN 40 CO -0.01 -0.20 2.11 0.17 -2.57 0.00 0.00 177.10 176.60 1p6t h LEU 41 N 6.11 0.00 -1.38 0.60 8.10 -1.92 0.64 115.31 127.45 1p6t h LEU 41 Ca 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.02 1p6t h LEU 41 Cb 0.84 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.04 1p6t h LEU 41 CO 0.74 0.00 0.03 0.00 -4.11 0.00 0.00 178.44 175.10 1p6t h ALA 42 N 1.62 1.51 -0.00 0.17 0.00 -1.95 -3.16 119.26 117.44 1p6t h ALA 42 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 42 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1p6t h ALA 42 CO 0.00 0.36 -0.00 0.25 0.00 0.00 0.00 179.25 179.86 1p6t n THR 43 N -4.33 0.00 -2.40 0.00 -2.24 0.02 -5.02 114.28 100.30 1p6t n THR 43 Ca 0.01 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 1p6t n THR 43 Cb 0.20 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1p6t n THR 43 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1p6t n GLU 44 N -0.10 -1.67 -3.86 -0.78 2.13 0.20 -5.01 120.64 111.56 1p6t n GLU 44 Ca 0.00 0.59 -0.36 0.00 0.66 0.00 0.00 57.16 58.06 1p6t n GLU 44 Cb 0.00 -4.76 -0.14 0.00 0.27 0.00 0.00 31.44 26.81 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1p6t s THR 45 N -2.73 3.56 -0.12 6.31 2.01 -0.90 -2.61 115.64 121.16 1p6t s THR 45 Ca 0.06 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 1p6t s THR 45 Cb -0.03 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1p6t s THR 45 CO 0.08 0.31 0.47 0.54 -0.69 0.00 0.00 174.62 175.32 1p6t s VAL 46 N 1.48 5.19 -0.26 3.82 0.11 0.94 -0.36 120.40 131.32 1p6t s VAL 46 Ca 0.04 0.94 0.02 0.00 -2.93 0.00 0.00 61.98 60.06 1p6t s VAL 46 Cb -0.15 -3.81 0.06 0.00 -1.53 0.00 0.00 36.38 30.95 1p6t s VAL 46 CO -0.01 0.33 -0.07 0.20 -3.33 0.00 0.00 175.10 172.22 1p6t s ASN 47 N 0.58 4.25 -0.10 3.54 0.01 0.47 -0.71 114.94 122.98 1p6t s ASN 47 Ca 0.26 -1.38 -0.01 0.00 -0.71 0.00 0.00 52.86 51.02 1p6t s ASN 47 Cb -0.15 -1.41 -0.03 0.00 0.41 0.00 0.00 41.25 40.07 1p6t s ASN 47 CO 0.10 -0.22 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.73 1p6t s VAL 48 N 1.20 3.83 -0.17 1.60 1.01 0.06 -0.56 120.40 127.37 1p6t s VAL 48 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1p6t s VAL 48 Cb -0.19 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1p6t s VAL 48 CO -0.06 0.57 -0.13 -0.63 0.00 0.00 0.00 175.10 174.85 1p6t s ILE 49 N -0.45 1.63 0.28 2.22 1.09 0.23 -0.42 121.20 125.78 1p6t s ILE 49 Ca 0.07 -0.79 -0.14 0.00 -1.10 0.00 0.00 60.65 58.69 1p6t s ILE 49 Cb -0.12 -1.59 0.01 0.00 -1.06 0.00 0.00 42.46 39.70 1p6t s ILE 49 CO 0.02 0.36 0.57 -0.72 -0.10 0.00 0.00 174.94 175.07 1p6t s TYR 50 N 1.44 0.29 -0.22 3.97 -0.85 -0.61 -0.70 117.35 120.67 1p6t s TYR 50 Ca 0.03 -0.70 -0.22 0.00 -0.52 0.00 0.00 57.07 55.66 1p6t s TYR 50 Cb -0.14 0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.53 1p6t s TYR 50 CO -0.10 -1.14 0.68 0.34 -1.52 0.00 0.00 175.55 173.81 1p6t s ASP 51 N -3.03 6.69 0.00 -0.18 -1.08 0.78 -1.45 116.67 118.40 1p6t s ASP 51 Ca 0.20 0.85 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 1p6t s ASP 51 Cb -0.02 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1p6t s ASP 51 CO 0.10 -0.35 1.49 -0.81 0.52 0.00 0.00 175.17 176.12 1p6t n PRO 52 N 5.42 0.96 -0.90 4.34 -0.04 -1.26 -3.15 135.00 140.37 1p6t n PRO 52 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.42 1p6t n PRO 52 Cb 0.49 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.88 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.07 3.27 0.01 0.55 0.00 -1.26 -4.93 120.51 119.22 1p6t n ALA 53 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1p6t n ALA 53 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1p6t n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p6t n GLU 54 N 0.02 0.00 0.00 0.00 1.02 -1.19 -5.06 120.64 115.43 1p6t n GLU 54 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1p6t n GLU 54 Cb 0.67 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 1p6t n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1p6t n THR 55 N -2.60 0.00 0.00 2.62 -1.04 -1.23 -4.88 114.28 107.15 1p6t n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1p6t n THR 55 Cb 0.02 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 2.54 3.51 0.30 3.41 0.00 -1.26 -4.72 105.19 108.96 1p6t n GLY 56 Ca 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1p6t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6t h THR 57 N 0.00 0.49 -0.76 2.61 1.03 -1.94 0.12 112.91 114.46 1p6t h THR 57 Ca 0.00 -0.13 0.03 0.00 -0.01 0.00 0.00 66.41 66.30 1p6t h THR 57 Cb 0.00 0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 67.12 1p6t h THR 57 CO 0.00 0.07 0.48 0.00 -0.01 0.00 0.00 175.52 176.06 1p6t h ALA 58 N 1.68 1.00 -0.36 0.00 0.00 -1.93 0.61 119.26 120.27 1p6t h ALA 58 Ca 0.52 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.25 1p6t h ALA 58 Cb 0.96 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1p6t h ALA 58 CO -0.52 0.29 -0.38 0.00 0.00 0.00 0.00 179.25 178.63 1p6t h ALA 59 N 1.32 0.65 0.12 0.00 0.00 -1.11 0.15 119.26 120.38 1p6t h ALA 59 Ca 0.30 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 59 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1p6t h ALA 59 CO -0.11 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.57 1p6t h ILE 60 N 0.70 0.98 -0.98 0.00 2.04 -0.73 0.21 117.51 119.72 1p6t h ILE 60 Ca 0.06 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1p6t h ILE 60 Cb 0.95 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1p6t h ILE 60 CO 0.09 0.10 0.64 0.06 0.00 0.00 0.00 178.15 179.04 1p6t h GLN 61 N -0.36 1.21 -0.70 2.37 3.07 -0.86 -1.06 115.11 118.79 1p6t h GLN 61 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.65 1p6t h GLN 61 Cb 0.29 -0.27 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 1p6t h GLN 61 CO 0.03 0.80 0.43 1.49 0.09 0.00 0.00 178.83 181.67 1p6t h GLU 62 N 1.24 0.93 -0.53 0.06 4.81 -0.30 -1.96 114.58 118.83 1p6t h GLU 62 Ca 0.39 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1p6t h GLU 62 Cb 0.01 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1p6t h GLU 62 CO -0.13 0.64 0.12 -0.22 -0.73 0.00 0.00 179.01 178.70 1p6t h LYS 63 N 0.95 0.84 -0.59 1.92 1.63 0.68 0.15 116.57 122.16 1p6t h LYS 63 Ca 0.25 -0.20 0.11 0.00 -0.85 0.00 0.00 60.65 59.95 1p6t h LYS 63 Cb -0.06 -0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 31.37 1p6t h LYS 63 CO -0.05 0.80 0.15 0.82 -3.45 0.00 0.00 179.45 177.72 1p6t h ILE 64 N 0.74 0.68 0.41 2.00 2.04 -0.72 0.14 117.51 122.79 1p6t h ILE 64 Ca 0.16 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1p6t h ILE 64 Cb 0.34 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1p6t h ILE 64 CO 0.00 0.05 -0.23 -0.33 0.00 0.00 0.00 178.15 177.65 1p6t h GLU 65 N 0.29 -0.58 0.00 2.37 5.08 -0.64 -2.56 114.58 118.54 1p6t h GLU 65 Ca 0.30 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1p6t h GLU 65 Cb 0.43 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1p6t h GLU 65 CO -0.37 -0.38 -0.20 0.87 -1.00 0.00 0.00 179.01 177.92 1p6t h LYS 66 N -0.60 0.00 0.00 2.33 6.56 -0.52 0.24 116.57 124.58 1p6t h LYS 66 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1p6t h LYS 66 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1p6t h LYS 66 CO 0.06 0.20 0.00 -0.07 -2.06 0.00 0.00 179.45 177.58 1p6t h LEU 67 N 0.00 0.00 0.00 2.94 -0.00 -0.60 -3.46 115.31 114.19 1p6t h LEU 67 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1p6t h LEU 67 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1p6t h LEU 67 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.08 1p6t n GLY 68 N -0.65 0.95 3.45 0.83 0.00 0.85 -5.08 105.19 105.54 1p6t n GLY 68 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1p6t n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 69 N -1.88 1.76 0.20 1.61 1.51 -0.98 -4.99 117.35 114.59 1p6t s TYR 69 Ca 0.00 -1.40 0.03 0.00 -1.01 0.00 0.00 57.07 54.69 1p6t s TYR 69 Cb 0.00 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 1p6t s TYR 69 CO 0.00 -0.47 -0.02 -1.01 -1.11 0.00 0.00 175.55 172.94 1p6t s HIS 70 N -3.28 1.44 -0.04 2.71 3.76 -1.25 -4.15 115.29 114.48 1p6t s HIS 70 Ca 0.28 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1p6t s HIS 70 Cb 0.02 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1p6t s HIS 70 CO 0.18 -0.05 -0.00 0.14 -0.85 0.00 0.00 174.74 174.15 1p6t s VAL 71 N -3.45 4.20 -1.12 -0.90 -7.23 -1.26 -0.47 120.40 110.17 1p6t s VAL 71 Ca 0.26 -0.45 -0.19 0.00 -1.81 0.00 0.00 61.98 59.79 1p6t s VAL 71 Cb 0.05 -2.82 0.10 0.00 0.56 0.00 0.00 36.38 34.27 1p6t s VAL 71 CO 0.06 0.48 1.46 -0.69 -0.31 0.00 0.00 175.10 176.11 1p6t s VAL 72 N -0.99 4.36 -0.16 1.32 1.01 0.07 -4.83 120.40 121.18 1p6t s VAL 72 Ca 0.17 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 1p6t s VAL 72 Cb -0.11 -5.01 0.06 0.00 0.00 0.00 0.00 36.38 31.31 1p6t s VAL 72 CO 0.06 -1.81 0.38 -0.89 0.00 0.00 0.00 175.10 172.84 1p6t s THR 73 N 3.62 -0.03 -0.09 3.92 2.01 -1.26 -4.28 115.64 119.53 1p6t s THR 73 Ca 0.45 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.58 1p6t s THR 73 Cb -0.00 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1p6t s THR 73 CO -0.03 0.04 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.15 1p6t s GLU 74 N 1.37 2.92 -1.19 4.92 0.41 0.20 -4.87 118.70 122.46 1p6t s GLU 74 Ca -0.09 -0.77 -0.17 0.00 -0.41 0.00 0.00 54.97 53.52 1p6t s GLU 74 Cb -0.09 -2.40 0.11 0.00 -1.78 0.00 0.00 34.13 29.97 1p6t s GLU 74 CO -0.12 0.35 1.52 -1.59 -0.49 0.00 0.00 175.26 174.93 1p6t s LYS 75 N -0.03 3.93 0.75 1.61 -2.85 -1.26 -1.74 119.74 120.15 1p6t s LYS 75 Ca -0.05 -2.07 -0.08 0.00 -1.00 0.00 0.00 55.97 52.77 1p6t s LYS 75 Cb -0.14 -5.28 0.08 0.00 -2.06 0.00 0.00 37.83 30.43 1p6t s LYS 75 CO 0.04 -2.02 1.07 0.00 0.10 0.00 0.00 175.35 174.54 1p6t s ALA 76 N 3.20 3.02 -0.04 0.59 0.00 0.15 -4.86 121.76 123.81 1p6t s ALA 76 Ca 0.47 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1p6t s ALA 76 Cb 0.00 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1p6t s ALA 76 CO 0.01 -1.49 -0.09 -1.21 0.00 0.00 0.00 175.76 172.97 1p6t s GLU 77 N -5.36 1.18 -0.02 0.00 2.02 -1.26 -0.45 118.70 114.81 1p6t s GLU 77 Ca 0.62 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 55.38 1p6t s GLU 77 Cb -0.10 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.05 1p6t s GLU 77 CO 0.46 0.06 -0.25 -0.06 0.02 0.00 0.00 175.26 175.49 1p6t s PHE 78 N 0.46 2.36 0.54 1.61 0.08 0.12 -3.03 117.98 120.12 1p6t s PHE 78 Ca -0.08 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.43 1p6t s PHE 78 Cb -0.12 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 1p6t s PHE 78 CO 0.01 -0.02 0.94 0.34 -0.10 0.00 0.00 175.22 176.40 1p6t s ASP 79 N -0.65 6.40 -0.02 1.36 2.15 0.12 -0.27 116.67 125.75 1p6t s ASP 79 Ca 0.10 1.35 0.05 0.00 0.43 0.00 0.00 52.55 54.48 1p6t s ASP 79 Cb -0.10 -2.43 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1p6t s ASP 79 CO -0.01 -0.68 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.53 1p6t s ILE 80 N -2.83 1.27 -0.12 4.11 1.01 -0.08 -0.15 121.20 124.39 1p6t s ILE 80 Ca 0.55 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1p6t s ILE 80 Cb -0.10 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1p6t s ILE 80 CO 0.43 0.36 -0.01 -1.61 0.00 0.00 0.00 174.94 174.11 1p6t s GLU 81 N -0.21 3.37 0.00 2.79 2.02 -0.95 -4.78 118.70 120.93 1p6t s GLU 81 Ca 0.02 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1p6t s GLU 81 Cb -0.08 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1p6t s GLU 81 CO 0.00 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1p6t n GLY 82 N 2.85 1.71 7.00 -1.39 0.00 -1.26 -3.99 105.19 110.11 1p6t n GLY 82 Ca -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1p6t n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 83 N 0.00 0.00 -4.03 1.61 2.81 -1.26 -4.80 117.12 111.46 1p6t n MET 83 Ca 0.00 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 1p6t n MET 83 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1p6t n MET 83 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1p6t n THR 84 N 0.00 -1.65 -2.72 2.03 -2.24 -1.26 -4.65 114.28 103.79 1p6t n THR 84 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1p6t n THR 84 Cb 0.00 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p6t h ALA 86 N 1.34 0.82 0.00 0.00 0.00 -2.04 -3.37 119.26 116.01 1p6t h ALA 86 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1p6t h ALA 86 Cb 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1p6t h ALA 86 CO 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 179.25 178.79 1p6t n ALA 87 N -3.11 -0.98 0.27 0.00 0.00 -1.26 -5.03 120.51 110.40 1p6t n ALA 87 Ca 0.16 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1p6t n ALA 87 Cb 0.53 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 1p6t n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 89 N -0.91 1.76 -0.16 0.00 0.00 -1.93 0.14 119.26 118.16 1p6t h ALA 89 Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1p6t h ALA 89 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1p6t h ALA 89 CO 0.12 0.20 -0.01 -0.91 0.00 0.00 0.00 179.25 178.65 1p6t h ASN 90 N 0.52 0.29 0.18 0.00 4.21 -1.93 0.23 115.58 119.07 1p6t h ASN 90 Ca 0.17 -0.32 0.01 0.00 1.21 0.00 0.00 56.30 57.37 1p6t h ASN 90 Cb 0.04 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.13 1p6t h ASN 90 CO -0.04 0.53 -0.27 0.03 -1.29 0.00 0.00 177.43 176.40 1p6t h ARG 91 N 0.03 -0.49 -0.41 0.81 3.08 0.36 -0.15 114.38 117.61 1p6t h ARG 91 Ca 0.05 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1p6t h ARG 91 Cb 0.39 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1p6t h ARG 91 CO 0.01 -0.33 0.09 -0.84 -1.07 0.00 0.00 179.97 177.83 1p6t h ILE 92 N -0.51 1.19 0.46 2.04 3.07 -0.97 -2.00 117.51 120.79 1p6t h ILE 92 Ca 0.02 -0.68 -0.02 0.00 1.55 0.00 0.00 64.86 65.73 1p6t h ILE 92 Cb 0.51 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 37.83 1p6t h ILE 92 CO -0.12 0.25 -0.34 -0.08 -1.05 0.00 0.00 178.15 176.81 1p6t h GLU 93 N 0.60 -0.74 -0.88 0.16 4.81 -0.06 0.19 114.58 118.67 1p6t h GLU 93 Ca 0.14 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.63 1p6t h GLU 93 Cb 0.24 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 1p6t h GLU 93 CO -0.00 -0.49 0.59 0.87 -0.73 0.00 0.00 179.01 179.25 1p6t h LYS 94 N -0.76 0.32 0.00 1.92 6.56 -0.86 0.16 116.57 123.90 1p6t h LYS 94 Ca -0.06 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1p6t h LYS 94 Cb 0.63 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1p6t h LYS 94 CO 0.03 0.21 0.00 0.54 -2.06 0.00 0.00 179.45 178.17 1p6t n ARG 95 N -4.47 0.00 -0.32 3.15 5.12 -0.77 -4.02 116.66 115.35 1p6t n ARG 95 Ca 0.19 0.48 0.15 0.00 -1.93 0.00 0.00 57.85 56.74 1p6t n ARG 95 Cb 0.73 -1.20 0.31 0.00 -1.16 0.00 0.00 32.46 31.14 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1p6t h LEU 96 N 0.00 -0.27 -0.49 0.55 3.38 -0.17 -1.63 115.31 116.69 1p6t h LEU 96 Ca 0.00 0.25 0.13 0.00 0.09 0.00 0.00 57.88 58.35 1p6t h LEU 96 Cb 0.00 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 1p6t h LEU 96 CO 0.00 -0.31 -0.02 -3.20 0.09 0.00 0.00 178.44 175.00 1p6t n ASN 97 N -5.39 -0.08 -2.83 -0.43 2.85 0.52 -2.79 115.26 107.10 1p6t n ASN 97 Ca 0.24 0.83 -0.11 0.00 -0.11 0.00 0.00 54.58 55.43 1p6t n ASN 97 Cb 0.78 -0.29 0.03 0.00 1.24 0.00 0.00 39.78 41.54 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1p6t n LYS 98 N -4.61 0.78 0.39 1.20 0.00 -0.64 -4.25 118.16 111.04 1p6t n LYS 98 Ca 0.11 -2.02 -0.15 0.00 -0.00 0.00 0.00 58.31 56.25 1p6t n LYS 98 Cb 0.35 -1.40 -0.07 0.00 -0.00 0.00 0.00 35.03 33.90 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1p6t h ILE 99 N 2.80 0.00 0.00 0.58 1.08 -1.30 -3.48 117.51 117.19 1p6t h ILE 99 Ca -0.11 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1p6t h ILE 99 Cb 1.01 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1p6t h ILE 99 CO 0.34 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.18 1p6t n GLU 100 N -4.99 0.00 -1.33 2.37 -0.58 -1.26 -4.98 120.64 109.88 1p6t n GLU 100 Ca -0.12 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.35 1p6t n GLU 100 Cb 0.39 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.18 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 101 N 0.00 3.94 3.47 0.62 0.00 -1.25 -4.51 105.19 107.45 1p6t n GLY 101 Ca 0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N 0.36 3.87 -0.11 1.61 1.01 -1.26 -0.59 120.40 125.29 1p6t s VAL 102 Ca 0.64 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 1p6t s VAL 102 Cb 0.27 -2.72 -0.17 0.00 0.00 0.00 0.00 36.38 33.77 1p6t s VAL 102 CO -0.07 0.46 0.60 0.00 0.00 0.00 0.00 175.10 176.09 1p6t h ALA 103 N 7.08 -0.04 -2.78 5.51 0.00 -0.85 -3.43 119.26 124.75 1p6t h ALA 103 Ca -0.33 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1p6t h ALA 103 Cb 1.18 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1p6t h ALA 103 CO 0.62 -0.06 -0.12 -0.80 0.00 0.00 0.00 179.25 178.88 1p6t s ASN 104 N -5.88 -0.12 -0.49 0.00 0.01 -0.82 -4.74 114.94 102.90 1p6t s ASN 104 Ca -0.13 -0.70 0.06 0.00 -0.71 0.00 0.00 52.86 51.39 1p6t s ASN 104 Cb -0.01 0.53 0.23 0.00 0.41 0.00 0.00 41.25 42.41 1p6t s ASN 104 CO 0.46 -1.01 0.87 0.00 -1.51 0.00 0.00 177.10 175.91 1p6t n ALA 105 N -0.30 -1.40 -2.30 0.60 0.00 -1.26 -0.66 120.51 115.18 1p6t n ALA 105 Ca -0.08 -1.40 -0.42 0.00 0.00 0.00 0.00 53.44 51.54 1p6t n ALA 105 Cb 0.62 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1p6t n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p6t s PRO 106 N 0.69 4.31 0.28 0.00 0.04 -1.16 -4.63 135.00 134.54 1p6t s PRO 106 Ca 0.32 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1p6t s PRO 106 Cb 0.20 -3.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 1p6t s PRO 106 CO -0.23 -0.51 0.64 0.14 0.04 0.00 0.00 177.00 177.08 1p6t s VAL 107 N 2.20 4.84 0.02 -0.36 -7.23 -1.26 -1.45 120.40 117.16 1p6t s VAL 107 Ca 0.61 0.63 0.07 0.00 -1.81 0.00 0.00 61.98 61.47 1p6t s VAL 107 Cb -0.29 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 1p6t s VAL 107 CO 0.25 -0.17 -0.18 0.20 -0.31 0.00 0.00 175.10 174.90 1p6t s ASN 108 N -2.45 3.77 0.00 4.85 0.01 0.57 -4.97 114.94 116.73 1p6t s ASN 108 Ca 0.50 -0.39 0.16 0.00 -0.71 0.00 0.00 52.86 52.42 1p6t s ASN 108 Cb -0.11 -0.62 0.11 0.00 0.41 0.00 0.00 41.25 41.03 1p6t s ASN 108 CO 0.21 0.27 0.98 0.33 -1.51 0.00 0.00 177.10 177.39 1p6t n PHE 109 N 1.74 0.00 -0.11 2.20 7.35 -1.26 -3.42 117.46 123.96 1p6t n PHE 109 Ca -0.16 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.28 1p6t n PHE 109 Cb 0.52 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.24 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p6t n ALA 110 N 0.73 1.09 0.10 3.13 0.00 -1.26 -4.54 120.51 119.76 1p6t n ALA 110 Ca 0.09 -0.88 0.03 0.00 0.00 0.00 0.00 53.44 52.68 1p6t n ALA 110 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 1p6t n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1p6t h LEU 111 N -0.71 0.00 -0.75 0.00 3.38 -2.01 -3.48 115.31 111.74 1p6t h LEU 111 Ca -0.56 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 1p6t h LEU 111 Cb 1.63 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.40 1p6t h LEU 111 CO -0.25 0.44 -0.13 -0.62 0.09 0.00 0.00 178.44 177.97 1p6t n GLU 112 N -3.01 -1.35 -4.17 1.13 1.02 -1.25 -4.97 120.64 108.04 1p6t n GLU 112 Ca -0.03 0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 1p6t n GLU 112 Cb 0.74 -3.25 -0.09 0.00 -0.02 0.00 0.00 31.44 28.82 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1p6t s THR 113 N -2.94 0.00 -0.03 2.62 -4.23 -1.22 -0.91 115.64 108.94 1p6t s THR 113 Ca 0.10 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1p6t s THR 113 Cb -0.04 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1p6t s THR 113 CO 0.12 0.00 -0.07 0.54 -0.54 0.00 0.00 174.62 174.67 1p6t s VAL 114 N -4.10 0.65 0.16 2.29 0.11 0.63 -0.31 120.40 119.83 1p6t s VAL 114 Ca 0.36 -0.27 -0.26 0.00 -2.93 0.00 0.00 61.98 58.88 1p6t s VAL 114 Cb 0.06 -0.60 -0.08 0.00 -1.53 0.00 0.00 36.38 34.22 1p6t s VAL 114 CO 0.12 0.22 0.81 -0.89 -3.33 0.00 0.00 175.10 172.03 1p6t s THR 115 N 0.35 4.36 -0.26 5.04 2.01 -0.53 -0.70 115.64 125.91 1p6t s THR 115 Ca -0.05 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.73 1p6t s THR 115 Cb -0.09 -4.18 0.08 0.00 0.01 0.00 0.00 72.50 68.32 1p6t s THR 115 CO 0.00 0.49 0.02 0.54 -0.69 0.00 0.00 174.62 174.99 1p6t s VAL 116 N -0.99 1.26 -0.55 3.82 0.11 0.40 -2.98 120.40 121.47 1p6t s VAL 116 Ca 0.37 -1.31 -0.18 0.00 -2.93 0.00 0.00 61.98 57.93 1p6t s VAL 116 Cb -0.23 -1.74 0.09 0.00 -1.53 0.00 0.00 36.38 32.96 1p6t s VAL 116 CO 0.27 -0.35 0.64 -1.61 -3.33 0.00 0.00 175.10 170.72 1p6t s GLU 117 N 1.48 3.06 0.13 1.54 2.02 0.16 -0.68 118.70 126.41 1p6t s GLU 117 Ca 0.02 -1.22 -0.06 0.00 0.02 0.00 0.00 54.97 53.72 1p6t s GLU 117 Cb -0.18 -4.21 -0.02 0.00 0.10 0.00 0.00 34.13 29.82 1p6t s GLU 117 CO -0.12 -1.39 0.19 1.52 0.02 0.00 0.00 175.26 175.48 1p6t s TYR 118 N 2.51 0.47 -0.44 1.61 1.13 -0.71 -0.22 117.35 121.70 1p6t s TYR 118 Ca 0.11 -0.86 -0.26 0.00 -1.41 0.00 0.00 57.07 54.66 1p6t s TYR 118 Cb -0.23 -0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.47 1p6t s TYR 118 CO 0.08 -0.62 0.93 1.21 -2.51 0.00 0.00 175.55 174.64 1p6t s ASN 119 N -2.96 6.55 -0.01 -0.18 2.47 0.24 -0.62 114.94 120.42 1p6t s ASN 119 Ca 0.16 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.69 1p6t s ASN 119 Cb 0.05 -2.46 0.03 0.00 -1.45 0.00 0.00 41.25 37.43 1p6t s ASN 119 CO -0.02 -1.01 0.77 -0.81 -3.72 0.00 0.00 177.10 172.31 1p6t n PRO 120 N 7.09 1.13 -0.08 0.43 -0.04 -1.26 -2.80 135.00 139.47 1p6t n PRO 120 Ca 0.06 -0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1p6t n PRO 120 Cb 0.48 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1p6t n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p6t n LYS 121 N -0.17 0.48 -0.22 0.54 4.76 -1.26 -4.70 118.16 117.59 1p6t n LYS 121 Ca 0.01 0.19 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 1p6t n LYS 121 Cb 0.17 -1.33 0.06 0.00 -1.84 0.00 0.00 35.03 32.09 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N -0.88 0.74 -5.16 1.97 3.07 -1.93 -3.44 114.58 108.95 1p6t h GLU 122 Ca -0.11 -0.04 -0.62 0.00 -0.50 0.00 0.00 59.36 58.08 1p6t h GLU 122 Cb 1.00 -0.17 -0.13 0.00 -0.84 0.00 0.00 28.75 28.62 1p6t h GLU 122 CO -0.07 0.49 -0.52 0.00 -1.40 0.00 0.00 179.01 177.50 1p6t s ALA 123 N -6.13 3.48 0.11 3.43 0.00 -1.12 -4.98 121.76 116.55 1p6t s ALA 123 Ca -0.13 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1p6t s ALA 123 Cb 0.14 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1p6t s ALA 123 CO 0.76 -0.17 0.28 0.45 0.00 0.00 0.00 175.76 177.07 1p6t s SER 124 N -3.74 -0.01 0.33 0.00 0.15 -1.26 -4.17 113.70 105.00 1p6t s SER 124 Ca 0.16 -0.57 0.12 0.00 0.70 0.00 0.00 55.95 56.36 1p6t s SER 124 Cb 0.03 0.40 0.99 0.00 -1.71 0.00 0.00 66.02 65.72 1p6t s SER 124 CO 0.09 -0.80 1.69 0.58 1.20 0.00 0.00 173.24 176.00 1p6t h VAL 125 N 2.59 0.40 -0.87 4.45 2.07 -1.97 0.96 116.25 123.88 1p6t h VAL 125 Ca -0.34 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.18 1p6t h VAL 125 Cb 1.22 -0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1p6t h VAL 125 CO 0.52 0.08 0.47 0.28 0.02 0.00 0.00 177.57 178.94 1p6t h SER 126 N 0.42 0.61 -0.18 0.57 0.02 -1.98 0.22 113.55 113.22 1p6t h SER 126 Ca 0.69 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.73 1p6t h SER 126 Cb 1.46 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 1p6t h SER 126 CO -0.56 0.28 0.09 -0.78 -1.14 0.00 0.00 176.83 174.72 1p6t h ASP 127 N 0.70 0.13 -0.88 3.07 3.58 -1.21 0.08 116.42 121.89 1p6t h ASP 127 Ca 0.46 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.91 1p6t h ASP 127 Cb 0.61 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 1p6t h ASP 127 CO -0.34 0.10 0.52 -0.07 -2.88 0.00 0.00 179.24 176.58 1p6t h LEU 128 N 0.19 1.07 -0.49 2.28 3.38 -1.20 0.13 115.31 120.67 1p6t h LEU 128 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1p6t h LEU 128 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1p6t h LEU 128 CO -0.05 0.83 0.25 0.11 0.09 0.00 0.00 178.44 179.67 1p6t h LYS 129 N 1.21 0.69 -0.39 1.13 1.57 -0.24 0.92 116.57 121.47 1p6t h LYS 129 Ca 0.31 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1p6t h LYS 129 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1p6t h LYS 129 CO -0.06 0.56 0.24 1.49 -0.57 0.00 0.00 179.45 181.10 1p6t h GLU 130 N 0.65 0.46 0.20 3.15 4.22 -0.00 -0.47 114.58 122.78 1p6t h GLU 130 Ca 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 1p6t h GLU 130 Cb 0.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1p6t h GLU 130 CO -0.03 0.31 -0.10 0.00 -2.18 0.00 0.00 179.01 177.02 1p6t h ALA 131 N 1.17 -0.27 0.00 2.92 0.00 -0.48 -2.60 119.26 120.00 1p6t h ALA 131 Ca 0.15 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1p6t h ALA 131 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p6t h ALA 131 CO -0.06 -0.60 -0.46 -0.24 0.00 0.00 0.00 179.25 177.89 1p6t h VAL 132 N -0.36 1.24 -0.65 0.00 3.04 -0.76 -1.20 116.25 117.55 1p6t h VAL 132 Ca -0.03 -1.62 0.09 0.00 -1.01 0.00 0.00 66.70 64.14 1p6t h VAL 132 Cb 0.28 1.89 -0.07 0.00 -2.01 0.00 0.00 31.29 31.39 1p6t h VAL 132 CO 0.04 0.45 0.30 0.44 -1.01 0.00 0.00 177.57 177.79 1p6t h ASP 133 N 0.00 0.36 0.35 3.17 5.19 -0.87 0.13 116.42 124.76 1p6t h ASP 133 Ca -0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1p6t h ASP 133 Cb 0.86 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1p6t h ASP 133 CO 0.06 0.21 0.00 0.29 -3.12 0.00 0.00 179.24 176.68 1p6t n LYS 134 N -4.92 0.11 0.00 3.56 5.02 -0.48 -0.41 118.16 121.05 1p6t n LYS 134 Ca 0.09 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 1p6t n LYS 134 Cb 0.26 -1.77 0.41 0.00 -0.02 0.00 0.00 35.03 33.90 1p6t n LYS 134 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p6t n LEU 135 N -2.00 0.53 0.00 -0.35 7.99 0.42 -4.97 117.00 118.62 1p6t n LEU 135 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1p6t n LEU 135 Cb 0.12 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1p6t n LEU 135 CO 0.12 0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 1p6t n GLY 136 N 1.42 2.57 0.00 -0.72 0.00 0.45 -5.01 105.19 103.90 1p6t n GLY 136 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1p6t n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p6t n TYR 137 N -2.00 0.00 -3.54 1.61 4.01 -1.22 -5.00 117.16 111.01 1p6t n TYR 137 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1p6t n TYR 137 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1p6t n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1p6t s LYS 138 N 1.52 1.05 0.10 -0.72 0.00 -1.26 -4.48 119.74 115.95 1p6t s LYS 138 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 55.97 55.99 1p6t s LYS 138 Cb 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 37.83 38.28 1p6t s LYS 138 CO 0.00 -0.36 0.09 -0.51 0.00 0.00 0.00 175.35 174.57 1p6t s LEU 139 N -1.64 3.80 0.36 2.77 1.43 -1.26 -2.25 118.68 121.89 1p6t s LEU 139 Ca -0.08 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1p6t s LEU 139 Cb -0.01 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 1p6t s LEU 139 CO 0.03 0.15 0.07 -0.54 0.23 0.00 0.00 176.35 176.30 1p6t s LYS 140 N -2.54 1.75 -0.09 1.70 -0.14 0.78 -4.96 119.74 116.25 1p6t s LYS 140 Ca 0.30 -2.01 -0.10 0.00 -1.36 0.00 0.00 55.97 52.80 1p6t s LYS 140 Cb -0.12 -0.83 -0.05 0.00 -1.68 0.00 0.00 37.83 35.16 1p6t s LYS 140 CO 0.22 -0.27 0.22 -0.51 -0.76 0.00 0.00 175.35 174.24 1p6t s LEU 141 N -3.54 4.40 -1.22 3.17 2.01 -1.26 0.10 118.68 122.34 1p6t s LEU 141 Ca 0.32 0.59 -0.19 0.00 0.01 0.00 0.00 54.13 54.85 1p6t s LEU 141 Cb 0.07 -2.22 0.06 0.00 0.01 0.00 0.00 46.19 44.11 1p6t s LEU 141 CO 0.15 0.36 1.66 -0.54 1.01 0.00 0.00 176.35 178.98 1p6t s LYS 142 N -0.90 3.87 0.00 1.70 1.02 -1.17 -4.54 119.74 119.73 1p6t s LYS 142 Ca 0.17 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.42 1p6t s LYS 142 Cb -0.13 -5.49 0.00 0.00 -0.52 0.00 0.00 37.83 31.69 1p6t s LYS 142 CO 0.06 -2.25 0.00 0.41 -0.92 0.00 0.00 175.35 172.65 1p6t n GLY 143 N 5.84 1.96 4.15 -3.33 0.00 -1.26 -4.56 105.19 108.00 1p6t n GLY 143 Ca 0.44 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1p6t n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6t n GLU 144 N 0.00 -2.11 0.08 1.61 -0.58 -1.26 -4.56 120.64 113.82 1p6t n GLU 144 Ca 0.00 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1p6t n GLU 144 Cb 0.00 -4.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.75 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1p6t n GLN 145 N -4.48 0.00 -0.04 3.49 1.13 -1.26 -4.96 117.38 111.27 1p6t n GLN 145 Ca -0.29 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.76 1p6t n GLN 145 Cb 0.68 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.93 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1p6t n ASP 146 N -2.83 1.91 -1.20 1.08 9.92 -1.26 -4.42 116.55 119.75 1p6t n ASP 146 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1p6t n ASP 146 Cb 0.00 1.14 0.25 0.00 -0.64 0.00 0.00 41.12 41.87 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1p6t n SER 147 N -2.26 3.64 -4.44 -2.24 7.64 -1.26 -4.88 113.62 109.81 1p6t n SER 147 Ca -0.13 -3.29 -0.28 0.00 1.01 0.00 0.00 58.87 56.18 1p6t n SER 147 Cb 0.68 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1p6t n ILE 148 N -0.65 1.51 -1.41 0.44 5.41 -1.26 -4.76 119.36 118.63 1p6t n ILE 148 Ca 0.29 -1.53 -0.39 0.00 1.00 0.00 0.00 62.75 62.12 1p6t n ILE 148 Cb 1.04 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 1p6t n ILE 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1p6t n GLU 149 N 8.10 3.74 0.00 0.38 2.13 -1.26 -4.68 120.64 129.06 1p6t n GLU 149 Ca 0.45 -2.36 0.00 0.00 0.66 0.00 0.00 57.16 55.91 1p6t n GLU 149 Cb 0.46 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.35 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 150 N 3.42 3.72 0.00 8.31 0.00 -1.26 -5.15 105.19 114.23 1p6t n GLY 150 Ca 0.75 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19