#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n6y n ALA 23 N 0.00 1.05 -1.68 4.61 0.00 -1.26 -4.87 120.51 118.36 3n6y n ALA 23 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 3n6y n ALA 23 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.19 3n6y n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3n6y n GLN 24 N -0.55 2.07 -3.86 0.00 7.27 -1.26 -4.99 117.38 116.07 3n6y n GLN 24 Ca 0.10 0.73 -0.11 0.00 0.07 0.00 0.00 57.00 57.78 3n6y n GLN 24 Cb 0.43 -2.33 -0.10 0.00 2.41 0.00 0.00 30.24 30.65 3n6y n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3n6y s ALA 25 N -0.75 -0.35 0.27 1.69 0.00 -1.26 -5.15 121.76 116.21 3n6y s ALA 25 Ca 0.60 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 3n6y s ALA 25 Cb -0.60 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.46 3n6y s ALA 25 CO 0.58 -0.18 1.12 -1.21 0.00 0.00 0.00 175.76 176.06 3n6y s GLU 26 N -1.09 4.61 -0.15 0.00 2.02 -1.26 -4.85 118.70 117.99 3n6y s GLU 26 Ca -0.12 1.83 -0.29 0.00 0.02 0.00 0.00 54.97 56.41 3n6y s GLU 26 Cb -0.06 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 3n6y s GLU 26 CO 0.01 0.17 1.05 0.08 0.02 0.00 0.00 175.26 176.59 3n6y s VAL 27 N -1.06 4.68 0.02 2.63 1.01 -1.26 -4.16 120.40 122.26 3n6y s VAL 27 Ca 0.45 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.41 3n6y s VAL 27 Cb -0.32 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 3n6y s VAL 27 CO 0.41 -0.07 -0.04 -0.13 0.00 0.00 0.00 175.10 175.27 3n6y s ARG 28 N 2.53 0.33 0.28 2.72 0.52 -0.40 -4.98 118.95 119.94 3n6y s ARG 28 Ca 0.48 -0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 3n6y s ARG 28 Cb -0.18 -0.03 -0.11 0.00 0.52 0.00 0.00 34.95 35.15 3n6y s ARG 28 CO 0.14 -0.01 1.57 0.42 0.02 0.00 0.00 175.30 177.44 3n6y s ILE 29 N -1.19 2.18 -0.28 1.52 -1.09 -1.26 -0.79 121.20 120.29 3n6y s ILE 29 Ca -0.12 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.47 3n6y s ILE 29 Cb -0.08 -3.10 0.08 0.00 -1.58 0.00 0.00 42.46 37.78 3n6y s ILE 29 CO -0.00 0.02 0.00 -0.62 -1.23 0.00 0.00 174.94 173.11 3n6y s ASP 30 N 0.51 4.16 0.00 3.58 -1.08 0.17 -4.82 116.67 119.20 3n6y s ASP 30 Ca 0.63 -1.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3n6y s ASP 30 Cb -0.47 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 3n6y s ASP 30 CO 0.46 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.45 3n6y n GLY 31 N 4.58 -2.40 3.76 2.66 0.00 -1.26 -4.23 105.19 108.30 3n6y n GLY 31 Ca -0.06 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 3n6y n GLY 31 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n6y s PRO 32 N -0.42 3.46 -0.14 1.61 0.02 -1.26 -4.87 135.00 133.40 3n6y s PRO 32 Ca 0.00 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 3n6y s PRO 32 Cb 0.00 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 3n6y s PRO 32 CO 0.00 -0.90 0.63 0.42 -0.33 0.00 0.00 177.00 176.82 3n6y s ILE 33 N -1.35 5.06 0.25 2.83 1.01 -1.26 -4.65 121.20 123.08 3n6y s ILE 33 Ca 0.67 1.25 -0.19 0.00 0.00 0.00 0.00 60.65 62.37 3n6y s ILE 33 Cb -0.37 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 3n6y s ILE 33 CO 0.45 0.20 0.74 -1.61 0.00 0.00 0.00 174.94 174.71 3n6y s GLU 34 N 1.30 4.22 -0.02 2.79 2.02 0.26 -4.95 118.70 124.32 3n6y s GLU 34 Ca 0.32 0.85 -0.16 0.00 0.02 0.00 0.00 54.97 55.99 3n6y s GLU 34 Cb -0.16 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.31 3n6y s GLU 34 CO 0.13 0.34 0.35 1.52 0.02 0.00 0.00 175.26 177.62 3n6y s TYR 35 N -1.62 -0.23 -4.35 1.61 -0.85 -1.26 -1.66 117.35 108.99 3n6y s TYR 35 Ca 0.46 0.34 0.00 0.00 -0.52 0.00 0.00 57.07 57.35 3n6y s TYR 35 Cb -0.15 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.31 3n6y s TYR 35 CO 0.20 -0.42 0.00 0.41 -1.52 0.00 0.00 175.55 174.23 3n6y n GLY 36 N 1.21 0.69 3.68 5.49 0.00 -0.40 -3.10 105.19 112.76 3n6y n GLY 36 Ca -0.21 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 3n6y n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n6y s VAL 37 N -3.78 5.30 0.05 1.61 1.01 -0.62 -1.42 120.40 122.56 3n6y s VAL 37 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 3n6y s VAL 37 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3n6y s VAL 37 CO 0.00 0.33 0.96 -0.36 0.00 0.00 0.00 175.10 176.03 3n6y s PHE 38 N 1.03 3.73 -0.14 5.22 0.40 -0.05 -0.51 117.98 127.65 3n6y s PHE 38 Ca 0.12 1.74 -0.05 0.00 -0.60 0.00 0.00 56.93 58.14 3n6y s PHE 38 Cb -0.14 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.28 3n6y s PHE 38 CO 0.05 0.10 0.03 -1.21 0.70 0.00 0.00 175.22 174.90 3n6y s GLU 39 N 0.50 3.55 0.22 0.44 2.02 0.46 -4.58 118.70 121.30 3n6y s GLU 39 Ca 0.49 -0.37 0.10 0.00 0.02 0.00 0.00 54.97 55.21 3n6y s GLU 39 Cb -0.22 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 3n6y s GLU 39 CO 0.29 0.46 -0.19 -1.54 0.02 0.00 0.00 175.26 174.29 3n6y s SER 40 N -0.18 3.14 0.11 -0.19 1.04 -1.26 -4.02 113.70 112.34 3n6y s SER 40 Ca 0.06 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3n6y s SER 40 Cb -0.12 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.77 3n6y s SER 40 CO 0.02 -0.00 0.00 0.54 0.98 0.00 0.00 173.24 174.78 3n6y n ARG 41 N -0.15 0.00 -0.65 4.02 1.74 -1.26 -5.13 116.66 115.24 3n6y n ARG 41 Ca -0.09 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.02 3n6y n ARG 41 Cb 0.58 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.95 3n6y n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3n6y n SER 55 N -2.94 -3.49 -4.78 0.55 7.64 -1.26 -5.25 113.62 104.09 3n6y n SER 55 Ca 0.00 0.73 -0.32 0.00 1.01 0.00 0.00 58.87 60.29 3n6y n SER 55 Cb 0.00 -1.82 0.06 0.00 -1.01 0.00 0.00 64.21 61.44 3n6y n SER 55 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3n6y s GLU 56 N -4.16 2.68 0.02 1.43 4.04 -1.26 -4.98 118.70 116.47 3n6y s GLU 56 Ca 0.00 1.20 -0.30 0.00 0.04 0.00 0.00 54.97 55.90 3n6y s GLU 56 Cb 0.00 -1.95 -0.04 0.00 0.02 0.00 0.00 34.13 32.16 3n6y s GLU 56 CO 0.00 -1.32 1.05 -0.65 -1.84 0.00 0.00 175.26 172.50 3n6y s GLN 57 N -4.59 4.52 0.53 -4.83 -0.21 -1.26 -5.02 119.66 108.80 3n6y s GLN 57 Ca 0.62 1.54 -0.21 0.00 0.02 0.00 0.00 55.36 57.34 3n6y s GLN 57 Cb -0.17 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 3n6y s GLN 57 CO 0.49 -0.12 1.20 1.21 -2.12 0.00 0.00 175.29 175.95 3n6y s ASN 58 N 1.03 5.61 -0.17 5.90 2.47 -1.26 -4.83 114.94 123.68 3n6y s ASN 58 Ca 0.54 2.38 -0.00 0.00 0.42 0.00 0.00 52.86 56.20 3n6y s ASN 58 Cb -0.24 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 36.96 3n6y s ASN 58 CO 0.28 -1.31 -0.14 -0.63 -3.72 0.00 0.00 177.10 171.59 3n6y s ILE 59 N -1.57 2.68 -0.36 -5.21 1.01 -1.26 -0.41 121.20 116.08 3n6y s ILE 59 Ca 0.71 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 3n6y s ILE 59 Cb -0.30 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3n6y s ILE 59 CO 0.34 0.50 1.00 -1.58 0.00 0.00 0.00 174.94 175.21 3n6y s GLN 60 N 1.04 3.92 -0.19 2.79 0.74 0.33 -4.90 119.66 123.40 3n6y s GLN 60 Ca -0.01 0.77 -0.29 0.00 0.05 0.00 0.00 55.36 55.88 3n6y s GLN 60 Cb -0.15 -3.79 -0.02 0.00 1.10 0.00 0.00 33.01 30.16 3n6y s GLN 60 CO -0.04 -0.97 1.44 -1.14 -0.55 0.00 0.00 175.29 174.03 3n6y s GLN 61 N 3.64 4.03 -0.06 1.67 0.74 -1.26 -1.59 119.66 126.83 3n6y s GLN 61 Ca 0.42 1.66 -0.30 0.00 0.05 0.00 0.00 55.36 57.19 3n6y s GLN 61 Cb -0.12 -3.90 0.11 0.00 1.10 0.00 0.00 33.01 30.20 3n6y s GLN 61 CO 0.19 -0.99 0.95 -0.08 -0.55 0.00 0.00 175.29 174.81 3n6y s THR 62 N 4.27 0.00 -2.39 -0.34 -1.32 -1.18 -4.97 115.64 109.71 3n6y s THR 62 Ca 0.63 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.31 3n6y s THR 62 Cb -0.23 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 69.95 3n6y s THR 62 CO 0.23 0.00 1.16 0.35 -2.21 0.00 0.00 174.62 174.15 3n6y n THR 63 N -0.02 0.10 -3.67 5.08 -2.24 -1.26 -3.63 114.28 108.64 3n6y n THR 63 Ca -0.08 -0.55 -0.39 0.00 -2.27 0.00 0.00 64.05 60.76 3n6y n THR 63 Cb 0.60 1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 70.04 3n6y n THR 63 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n6y s GLU 64 N -1.58 3.18 -0.14 -0.78 0.41 -1.26 -0.33 118.70 118.20 3n6y s GLU 64 Ca 0.25 -0.82 0.01 0.00 -0.41 0.00 0.00 54.97 54.00 3n6y s GLU 64 Cb 0.17 -3.56 -0.00 0.00 -1.78 0.00 0.00 34.13 28.96 3n6y s GLU 64 CO 0.25 -0.48 -0.17 0.08 -0.49 0.00 0.00 175.26 174.45 3n6y s VAL 65 N 1.58 2.59 0.30 2.63 1.01 -0.31 -4.95 120.40 123.25 3n6y s VAL 65 Ca 0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3n6y s VAL 65 Cb -0.18 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 3n6y s VAL 65 CO 0.06 0.53 1.37 -2.84 0.00 0.00 0.00 175.10 174.22 3n6y s PRO 66 N 0.64 4.30 -1.42 2.72 0.02 -1.26 -1.98 135.00 138.02 3n6y s PRO 66 Ca -0.09 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.09 3n6y s PRO 66 Cb -0.16 -3.08 0.07 0.00 0.02 0.00 0.00 34.50 31.35 3n6y s PRO 66 CO 0.02 -0.31 2.21 0.00 -0.33 0.00 0.00 177.00 178.60 3n6y n ALA 67 N 1.38 5.76 -3.28 -1.55 0.00 -0.32 -4.80 120.51 117.70 3n6y n ALA 67 Ca 0.03 -3.98 -0.17 0.00 0.00 0.00 0.00 53.44 49.32 3n6y n ALA 67 Cb 0.41 -3.33 -0.15 0.00 0.00 0.00 0.00 19.45 16.37 3n6y n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3n6y s LYS 68 N 2.10 0.49 0.27 0.00 1.02 -1.26 -5.01 119.74 117.35 3n6y s LYS 68 Ca 0.47 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.09 3n6y s LYS 68 Cb 0.13 -0.54 -0.14 0.00 -0.52 0.00 0.00 37.83 36.77 3n6y s LYS 68 CO -0.06 -0.01 1.10 1.28 -0.92 0.00 0.00 175.35 176.73 3n6y n LEU 69 N 3.59 2.02 0.00 3.17 4.77 -1.26 -2.22 117.00 127.07 3n6y n LEU 69 Ca -0.21 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 3n6y n LEU 69 Cb 0.54 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3n6y n LEU 69 CO 0.24 -1.22 0.00 0.61 -1.33 0.00 0.00 177.39 175.69 3n6y n GLY 70 N 1.42 0.96 3.69 -0.72 0.00 0.75 -5.02 105.19 106.26 3n6y n GLY 70 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3n6y n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n6y s THR 71 N -2.50 4.68 -0.14 2.61 2.01 -0.94 -4.82 115.64 116.54 3n6y s THR 71 Ca 0.00 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.94 3n6y s THR 71 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 3n6y s THR 71 CO 0.00 0.00 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.11 3n6y s LYS 72 N 2.05 3.53 0.07 4.92 2.20 -1.26 -1.53 119.74 129.73 3n6y s LYS 72 Ca 0.50 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.50 3n6y s LYS 72 Cb -0.19 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 3n6y s LYS 72 CO 0.19 0.24 0.01 -0.59 -0.36 0.00 0.00 175.35 174.85 3n6y s PHE 73 N 0.32 0.55 0.00 4.03 -0.71 0.02 -0.87 117.98 121.31 3n6y s PHE 73 Ca -0.07 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 54.78 3n6y s PHE 73 Cb -0.15 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 3n6y s PHE 73 CO 0.04 -0.43 0.00 0.41 -1.34 0.00 0.00 175.22 173.90 3n6y n GLY 74 N 0.05 -0.20 3.64 1.99 0.00 -0.50 -0.74 105.19 109.43 3n6y n GLY 74 Ca -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 3n6y n GLY 74 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3n6y s ARG 76 N 0.00 0.32 0.24 1.61 3.52 -0.66 -1.27 118.95 122.70 3n6y s ARG 76 Ca 0.00 0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.90 3n6y s ARG 76 Cb 0.00 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3n6y s ARG 76 CO 0.00 -0.05 0.53 1.52 -0.81 0.00 0.00 175.30 176.49 3n6y s TYR 77 N 0.65 0.14 -0.08 5.12 1.13 -0.44 -0.57 117.35 123.30 3n6y s TYR 77 Ca -0.01 -0.52 0.04 0.00 -1.41 0.00 0.00 57.07 55.17 3n6y s TYR 77 Cb -0.04 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.13 3n6y s TYR 77 CO -0.11 -1.01 -0.19 -0.65 -2.51 0.00 0.00 175.55 171.07 3n6y s GLN 78 N -3.96 2.78 -0.13 -3.49 -0.21 -1.26 -0.60 119.66 112.78 3n6y s GLN 78 Ca 0.17 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.76 3n6y s GLN 78 Cb -0.02 -2.34 -0.01 0.00 1.00 0.00 0.00 33.01 31.65 3n6y s GLN 78 CO 0.05 0.39 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.93 3n6y s LEU 79 N -0.14 2.46 0.33 2.90 1.43 -1.26 -0.66 118.68 123.74 3n6y s LEU 79 Ca -0.03 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3n6y s LEU 79 Cb -0.14 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3n6y s LEU 79 CO 0.04 0.13 0.60 -0.94 0.23 0.00 0.00 176.35 176.41 3n6y s SER 80 N 0.53 6.41 0.00 2.29 1.04 0.03 -4.52 113.70 119.49 3n6y s SER 80 Ca -0.11 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3n6y s SER 80 Cb -0.16 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3n6y s SER 80 CO 0.04 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3n6y n GLY 81 N -1.26 0.75 3.70 7.32 0.00 -1.26 -1.28 105.19 113.16 3n6y n GLY 81 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3n6y n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n6y s LYS 82 N -0.22 4.24 0.14 1.61 1.02 -1.26 -4.38 119.74 120.89 3n6y s LYS 82 Ca 0.00 2.24 0.01 0.00 0.02 0.00 0.00 55.97 58.25 3n6y s LYS 82 Cb 0.00 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3n6y s LYS 82 CO 0.00 -0.62 -0.01 -0.65 -0.92 0.00 0.00 175.35 173.14 3n6y s GLN 83 N 1.89 0.97 0.31 1.68 -0.21 -1.26 -4.51 119.66 118.54 3n6y s GLN 83 Ca 0.70 -1.44 0.03 0.00 0.02 0.00 0.00 55.36 54.66 3n6y s GLN 83 Cb -0.39 -0.16 0.51 0.00 1.00 0.00 0.00 33.01 33.97 3n6y s GLN 83 CO 0.31 -0.11 1.81 0.93 -2.12 0.00 0.00 175.29 176.11 3n6y h GLU 84 N 2.82 0.55 -0.41 2.91 4.39 -1.94 -3.03 114.58 119.88 3n6y h GLU 84 Ca -0.36 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3n6y h GLU 84 Cb 1.19 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3n6y h GLU 84 CO 0.63 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 179.52 3n6y n GLY 85 N -0.70 0.88 3.82 -3.84 0.00 -1.26 -4.94 105.19 99.15 3n6y n GLY 85 Ca 0.01 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3n6y n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n6y s ASP 86 N -0.97 6.77 0.13 1.61 1.01 -1.15 -4.99 116.67 119.08 3n6y s ASP 86 Ca 0.26 1.72 -0.34 0.00 0.71 0.00 0.00 52.55 54.90 3n6y s ASP 86 Cb 0.14 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 41.39 3n6y s ASP 86 CO 0.17 -0.48 1.60 0.41 0.21 0.00 0.00 175.17 177.08 3n6y n THR 87 N -0.86 0.06 -0.87 -1.27 -1.04 -1.26 -4.85 114.28 104.19 3n6y n THR 87 Ca 0.07 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 61.79 3n6y n THR 87 Cb 0.54 -1.55 0.22 0.00 -1.82 0.00 0.00 70.33 67.72 3n6y n THR 87 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3n6y s PRO 88 N 1.21 -0.41 0.31 -2.82 0.04 -1.26 -4.81 135.00 127.27 3n6y s PRO 88 Ca 0.80 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 3n6y s PRO 88 Cb -0.69 -1.63 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 3n6y s PRO 88 CO 0.39 -3.32 0.83 -0.51 0.04 0.00 0.00 177.00 174.43 3n6y s LEU 89 N -6.87 4.19 -0.25 -3.56 1.43 0.17 -4.18 118.68 109.60 3n6y s LEU 89 Ca 0.67 1.54 -0.05 0.00 -1.03 0.00 0.00 54.13 55.26 3n6y s LEU 89 Cb -0.21 -4.01 -0.00 0.00 0.03 0.00 0.00 46.19 42.00 3n6y s LEU 89 CO 0.61 -0.13 0.00 -0.89 0.23 0.00 0.00 176.35 176.17 3n6y s THR 90 N -1.80 3.58 -0.41 5.49 2.01 0.59 -0.98 115.64 124.11 3n6y s THR 90 Ca 0.51 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.75 3n6y s THR 90 Cb -0.14 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3n6y s THR 90 CO 0.19 0.28 0.43 -0.76 -0.69 0.00 0.00 174.62 174.07 3n6y s LEU 91 N 1.48 4.80 -0.39 4.42 1.43 0.51 -0.77 118.68 130.16 3n6y s LEU 91 Ca 0.04 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.44 3n6y s LEU 91 Cb -0.16 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.72 3n6y s LEU 91 CO -0.01 -0.55 0.22 -0.22 0.23 0.00 0.00 176.35 176.02 3n6y s LEU 92 N 2.14 4.86 -0.31 1.79 0.20 -1.26 -1.41 118.68 124.68 3n6y s LEU 92 Ca 0.12 -1.21 -0.13 0.00 0.69 0.00 0.00 54.13 53.60 3n6y s LEU 92 Cb -0.17 -2.00 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 3n6y s LEU 92 CO 0.13 -0.44 0.27 -0.31 -0.29 0.00 0.00 176.35 175.71 3n6y s TYR 93 N 1.49 3.22 -0.18 5.38 1.51 0.37 -4.40 117.35 124.75 3n6y s TYR 93 Ca 0.02 0.01 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 3n6y s TYR 93 Cb -0.21 -2.50 -0.05 0.00 -0.11 0.00 0.00 41.96 39.09 3n6y s TYR 93 CO 0.05 -0.30 0.21 -0.51 -1.11 0.00 0.00 175.55 173.89 3n6y s LEU 94 N 1.84 4.24 0.33 -1.29 1.43 0.38 -0.71 118.68 124.91 3n6y s LEU 94 Ca 0.09 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3n6y s LEU 94 Cb -0.17 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 3n6y s LEU 94 CO 0.11 0.16 -0.06 0.42 0.23 0.00 0.00 176.35 177.20 3n6y s THR 95 N 0.32 1.98 -1.97 5.49 -4.23 -0.11 -0.90 115.64 116.22 3n6y s THR 95 Ca 0.12 -2.14 0.24 0.00 -1.18 0.00 0.00 61.69 58.74 3n6y s THR 95 Cb -0.12 -2.65 0.68 0.00 1.34 0.00 0.00 72.50 71.75 3n6y s THR 95 CO 0.01 -0.19 1.82 -2.65 -0.54 0.00 0.00 174.62 173.07 3n6y n PRO 96 N -0.75 0.74 0.00 3.99 -0.02 -1.24 -4.79 135.00 132.93 3n6y n PRO 96 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3n6y n PRO 96 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 3n6y n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n6y n GLY 97 N 0.54 1.00 3.62 -1.23 0.00 -1.26 -5.02 105.19 102.84 3n6y n GLY 97 Ca 0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3n6y n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n6y s VAL 98 N 0.00 4.96 -0.35 1.61 1.01 -0.58 -4.87 120.40 122.18 3n6y s VAL 98 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 3n6y s VAL 98 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3n6y s VAL 98 CO 0.00 -0.04 0.21 -0.69 0.00 0.00 0.00 175.10 174.59 3n6y s VAL 99 N 2.56 4.89 0.74 2.92 1.01 -1.26 0.14 120.40 131.40 3n6y s VAL 99 Ca 0.26 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 3n6y s VAL 99 Cb -0.15 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3n6y s VAL 99 CO 0.10 -0.09 1.08 0.42 0.00 0.00 0.00 175.10 176.61 3n6y s THR 100 N 1.64 3.52 0.62 3.92 -4.23 -0.53 -4.82 115.64 115.76 3n6y s THR 100 Ca 0.04 0.49 0.35 0.00 -1.18 0.00 0.00 61.69 61.40 3n6y s THR 100 Cb -0.18 -3.30 0.39 0.00 1.34 0.00 0.00 72.50 70.74 3n6y s THR 100 CO 0.08 -0.64 2.28 -0.65 -0.54 0.00 0.00 174.62 175.15 3n6y h PRO 101 N -0.85 0.00 0.00 3.99 0.11 -1.98 0.43 132.00 133.69 3n6y h PRO 101 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3n6y h PRO 101 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3n6y h PRO 101 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3n6y n ASP 102 N -3.54 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 110.50 3n6y n ASP 102 Ca -0.03 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 3n6y n ASP 102 Cb 0.11 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3n6y n ASP 102 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n6y n GLY 103 N 0.49 0.89 3.74 6.12 0.00 0.14 -5.06 105.19 111.51 3n6y n GLY 103 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3n6y n GLY 103 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n6y s GLN 104 N -0.63 4.76 -0.16 1.61 -0.21 -1.25 -4.81 119.66 118.97 3n6y s GLN 104 Ca 0.00 1.45 -0.15 0.00 0.02 0.00 0.00 55.36 56.68 3n6y s GLN 104 Cb 0.00 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.64 3n6y s GLN 104 CO 0.00 0.37 0.34 0.50 -2.12 0.00 0.00 175.29 174.38 3n6y s ARG 105 N -0.61 4.25 -0.43 2.91 3.52 -1.26 -1.45 118.95 125.88 3n6y s ARG 105 Ca 0.43 0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 56.14 3n6y s ARG 105 Cb -0.25 -3.45 0.11 0.00 -1.56 0.00 0.00 34.95 29.81 3n6y s ARG 105 CO 0.31 0.17 0.26 -1.01 -0.81 0.00 0.00 175.30 174.21 3n6y s HIS 106 N 0.66 3.51 -0.45 5.12 3.76 0.12 -4.90 115.29 123.11 3n6y s HIS 106 Ca 0.18 -2.16 0.23 0.00 -0.15 0.00 0.00 55.06 53.17 3n6y s HIS 106 Cb -0.14 -3.29 0.14 0.00 1.11 0.00 0.00 32.58 30.40 3n6y s HIS 106 CO 0.06 -0.97 1.14 -0.25 -0.85 0.00 0.00 174.74 173.87 3n6y n ASP 107 N 4.73 0.75 -4.03 1.40 8.00 -1.26 -1.53 116.55 124.61 3n6y n ASP 107 Ca -0.05 0.16 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 3n6y n ASP 107 Cb 0.41 0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 41.79 3n6y n ASP 107 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3n6y s LYS 108 N -3.26 0.52 0.02 -1.24 2.20 -1.26 -0.93 119.74 115.79 3n6y s LYS 108 Ca 0.03 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 3n6y s LYS 108 Cb 0.12 -0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 3n6y s LYS 108 CO 0.77 0.09 -0.25 -0.06 -0.36 0.00 0.00 175.35 175.53 3n6y s PHE 109 N -0.86 2.36 -0.11 4.03 0.08 0.11 -4.99 117.98 118.61 3n6y s PHE 109 Ca -0.04 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.62 3n6y s PHE 109 Cb -0.07 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3n6y s PHE 109 CO 0.00 0.08 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.83 3n6y s GLU 110 N -1.00 2.25 -0.11 0.44 2.02 -1.26 -0.48 118.70 120.57 3n6y s GLU 110 Ca 0.11 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.55 3n6y s GLU 110 Cb -0.10 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.25 3n6y s GLU 110 CO 0.01 -0.04 -0.17 0.08 0.02 0.00 0.00 175.26 175.16 3n6y s VAL 111 N 0.92 1.64 -0.17 2.63 1.01 -0.50 -4.97 120.40 120.96 3n6y s VAL 111 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3n6y s VAL 111 Cb -0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3n6y s VAL 111 CO -0.01 0.47 0.30 -0.69 0.00 0.00 0.00 175.10 175.17 3n6y s VAL 112 N 0.83 5.30 -0.18 2.92 1.01 -1.26 -0.36 120.40 128.65 3n6y s VAL 112 Ca -0.09 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3n6y s VAL 112 Cb -0.16 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.63 3n6y s VAL 112 CO 0.00 0.38 -0.10 -1.10 0.00 0.00 0.00 175.10 174.29 3n6y s GLN 113 N 0.55 1.92 0.24 2.72 -0.21 -0.15 -4.97 119.66 119.76 3n6y s GLN 113 Ca 0.16 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 3n6y s GLN 113 Cb -0.13 -2.25 -0.10 0.00 1.00 0.00 0.00 33.01 31.52 3n6y s GLN 113 CO 0.04 -0.40 1.51 0.21 -2.12 0.00 0.00 175.29 174.54 3n6y s LYS 114 N 1.47 4.21 0.23 2.91 2.20 -1.26 -0.66 119.74 128.85 3n6y s LYS 114 Ca 0.00 2.40 -0.30 0.00 -0.36 0.00 0.00 55.97 57.71 3n6y s LYS 114 Cb -0.15 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 3n6y s LYS 114 CO -0.08 -0.52 1.35 -0.51 -0.36 0.00 0.00 175.35 175.22 3n6y s LEU 115 N -0.08 4.41 -0.33 5.43 1.43 -1.26 -4.90 118.68 123.38 3n6y s LEU 115 Ca 0.63 2.52 -0.02 0.00 -1.03 0.00 0.00 54.13 56.23 3n6y s LEU 115 Cb -0.44 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.23 3n6y s LEU 115 CO 0.42 -0.58 0.05 -0.69 0.23 0.00 0.00 176.35 175.79 3n6y s VAL 116 N -0.11 3.04 0.36 -1.59 1.01 -1.26 -4.82 120.40 117.03 3n6y s VAL 116 Ca 0.56 -1.59 0.11 0.00 0.00 0.00 0.00 61.98 61.07 3n6y s VAL 116 Cb -0.39 -2.85 0.34 0.00 0.00 0.00 0.00 36.38 33.48 3n6y s VAL 116 CO 0.42 -0.27 1.84 -0.65 0.00 0.00 0.00 175.10 176.43 3n6y h PRO 117 N 7.99 0.59 -0.19 2.72 0.11 -1.88 -1.96 132.00 139.39 3n6y h PRO 117 Ca -0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3n6y h PRO 117 Cb 1.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3n6y h PRO 117 CO 0.57 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 3n6y n GLY 118 N -1.44 0.84 3.64 -0.55 0.00 -1.26 -4.81 105.19 101.62 3n6y n GLY 118 Ca 0.20 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3n6y n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n6y s ALA 119 N -1.77 3.48 0.40 4.61 0.00 -0.74 -4.94 121.76 122.80 3n6y s ALA 119 Ca 0.34 0.32 0.11 0.00 0.00 0.00 0.00 51.96 52.74 3n6y s ALA 119 Cb 0.20 -3.72 0.85 0.00 0.00 0.00 0.00 23.12 20.44 3n6y s ALA 119 CO 0.30 -1.54 1.94 -1.00 0.00 0.00 0.00 175.76 175.45 3n6y h PRO 120 N 9.06 0.17 -5.27 0.00 0.13 -1.89 -3.44 132.00 130.76 3n6y h PRO 120 Ca -0.28 -0.04 -0.38 0.00 -0.87 0.00 0.00 66.00 64.43 3n6y h PRO 120 Cb 1.11 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.04 3n6y h PRO 120 CO 1.00 0.32 -0.74 0.95 -0.23 0.00 0.00 178.00 179.30 3n6y s THR 121 N -4.71 1.26 0.06 1.56 -4.23 -1.26 -4.61 115.64 103.70 3n6y s THR 121 Ca -0.05 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 3n6y s THR 121 Cb 0.16 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 3n6y s THR 121 CO 0.72 -0.52 -0.22 -1.81 -0.54 0.00 0.00 174.62 172.25 3n6y s ASP 122 N -2.66 2.64 0.00 3.99 1.11 0.23 -4.98 116.67 117.00 3n6y s ASP 122 Ca 0.11 -0.58 0.00 0.00 0.18 0.00 0.00 52.55 52.26 3n6y s ASP 122 Cb -0.03 -0.21 0.00 0.00 1.07 0.00 0.00 42.92 43.76 3n6y s ASP 122 CO 0.02 0.16 0.00 0.52 1.18 0.00 0.00 175.17 177.05 3n6y n VAL 123 N 1.64 0.00 0.00 -1.27 0.31 -1.26 -1.33 118.33 116.42 3n6y n VAL 123 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3n6y n VAL 123 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3n6y n VAL 123 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3n6y n ALA 125 N -3.00 0.00 -3.23 3.52 0.00 -1.26 -5.02 120.51 111.52 3n6y n ALA 125 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3n6y n ALA 125 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3n6y n ALA 125 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3n6y s TYR 126 N -2.00 0.61 -0.04 0.00 6.14 0.08 -4.99 117.35 117.16 3n6y s TYR 126 Ca 0.00 -0.13 0.06 0.00 0.64 0.00 0.00 57.07 57.63 3n6y s TYR 126 Cb 0.00 -0.49 -0.01 0.00 0.42 0.00 0.00 41.96 41.88 3n6y s TYR 126 CO 0.00 -0.10 -0.21 -2.00 0.64 0.00 0.00 175.55 173.88 3n6y s GLU 127 N 0.43 1.99 -0.96 4.97 2.12 -1.26 -0.80 118.70 125.19 3n6y s GLU 127 Ca -0.05 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.28 3n6y s GLU 127 Cb -0.09 -1.79 0.05 0.00 0.26 0.00 0.00 34.13 32.57 3n6y s GLU 127 CO -0.00 0.37 1.40 -0.06 -0.54 0.00 0.00 175.26 176.43 3n6y s PHE 128 N -0.24 2.51 -0.11 5.30 0.08 -0.58 -4.77 117.98 120.18 3n6y s PHE 128 Ca 0.01 -0.72 0.16 0.00 0.12 0.00 0.00 56.93 56.51 3n6y s PHE 128 Cb -0.11 -4.66 -0.20 0.00 -0.57 0.00 0.00 43.02 37.47 3n6y s PHE 128 CO 0.01 -1.94 0.58 2.41 -0.10 0.00 0.00 175.22 176.18 3n6y n THR 129 N 6.72 1.25 -4.20 0.64 -1.04 -1.26 -0.18 114.28 116.21 3n6y n THR 129 Ca 0.27 -0.74 -0.18 0.00 -2.04 0.00 0.00 64.05 61.35 3n6y n THR 129 Cb 0.50 -0.70 -0.12 0.00 -1.82 0.00 0.00 70.33 68.20 3n6y n THR 129 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3n6y s GLU 130 N -2.79 0.92 0.35 -2.82 2.02 -1.26 -4.88 118.70 110.24 3n6y s GLU 130 Ca -0.05 -1.10 0.07 0.00 0.02 0.00 0.00 54.97 53.90 3n6y s GLU 130 Cb 0.08 -0.85 0.75 0.00 0.10 0.00 0.00 34.13 34.21 3n6y s GLU 130 CO 0.83 0.18 1.92 -1.35 0.02 0.00 0.00 175.26 176.85 3n6y h PRO 131 N 3.90 0.73 0.00 0.39 0.11 -1.98 -1.33 132.00 133.83 3n6y h PRO 131 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3n6y h PRO 131 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3n6y h PRO 131 CO 0.45 0.49 0.00 1.12 -0.21 0.00 0.00 178.00 179.85 3n6y h HIS 132 N 0.76 0.00 0.00 0.65 2.07 -1.98 -2.11 115.15 114.54 3n6y h HIS 132 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 3n6y h HIS 132 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 3n6y h HIS 132 CO -0.00 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 175.79 3n6y h GLU 133 N 0.00 0.00 -5.91 5.12 5.08 -1.57 -3.38 114.58 113.93 3n6y h GLU 133 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3n6y h GLU 133 Cb 0.31 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.45 3n6y h GLU 133 CO 0.00 0.00 1.42 0.08 -1.00 0.00 0.00 179.01 179.51 3n6y s VAL 134 N -3.16 4.07 -0.19 3.13 1.01 -0.79 -4.92 120.40 119.55 3n6y s VAL 134 Ca 0.09 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3n6y s VAL 134 Cb 0.08 -5.02 0.03 0.00 0.00 0.00 0.00 36.38 31.48 3n6y s VAL 134 CO 0.63 -1.87 -0.16 -0.69 0.00 0.00 0.00 175.10 173.01 3n6y s VAL 135 N 4.53 1.94 0.45 2.92 1.01 -1.26 -5.05 120.40 124.95 3n6y s VAL 135 Ca 0.44 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 3n6y s VAL 135 Cb -0.01 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.46 3n6y s VAL 135 CO -0.09 0.39 1.20 -0.54 0.00 0.00 0.00 175.10 176.06 3n6y s LYS 136 N 1.31 3.78 0.00 2.72 1.02 -1.26 -4.82 119.74 122.49 3n6y s LYS 136 Ca 0.02 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.89 3n6y s LYS 136 Cb -0.14 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3n6y s LYS 136 CO -0.11 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 3n6y n GLY 137 N 0.54 0.76 3.71 -3.33 0.00 -0.33 -4.83 105.19 101.71 3n6y n GLY 137 Ca 0.06 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 3n6y n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n6y s GLU 138 N -1.09 4.35 -0.17 1.61 2.12 -1.26 -1.21 118.70 123.05 3n6y s GLU 138 Ca 0.00 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.94 3n6y s GLU 138 Cb 0.00 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.93 3n6y s GLU 138 CO 0.00 0.06 -0.16 -1.58 -0.54 0.00 0.00 175.26 173.05 3n6y s TRP 139 N 0.90 2.80 -0.23 5.30 0.52 -0.03 -3.62 118.94 124.58 3n6y s TRP 139 Ca 0.30 -1.23 -0.03 0.00 0.02 0.00 0.00 56.10 55.16 3n6y s TRP 139 Cb -0.16 -1.92 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 3n6y s TRP 139 CO 0.13 -0.59 -0.05 0.50 0.02 0.00 0.00 176.95 176.96 3n6y s ARG 140 N 1.05 3.14 0.34 4.98 3.52 -0.08 0.36 118.95 132.26 3n6y s ARG 140 Ca -0.01 -0.78 0.08 0.00 -0.13 0.00 0.00 55.73 54.89 3n6y s ARG 140 Cb -0.15 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 3n6y s ARG 140 CO -0.04 -0.29 0.25 -0.51 -0.81 0.00 0.00 175.30 173.89 3n6y s LEU 141 N 1.42 3.50 -0.29 -0.88 1.02 -0.12 -0.47 118.68 122.86 3n6y s LEU 141 Ca 0.04 -0.58 -0.09 0.00 0.02 0.00 0.00 54.13 53.52 3n6y s LEU 141 Cb -0.15 -2.07 0.13 0.00 0.02 0.00 0.00 46.19 44.11 3n6y s LEU 141 CO -0.04 -0.33 0.62 -0.69 0.02 0.00 0.00 176.35 175.92 3n6y s VAL 143 N -2.34 -0.95 0.16 -1.59 1.01 -0.08 -1.38 120.40 115.24 3n6y s VAL 143 Ca 0.40 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.49 3n6y s VAL 143 Cb -0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3n6y s VAL 143 CO 0.25 0.01 -0.14 -0.36 0.00 0.00 0.00 175.10 174.86 3n6y s PHE 144 N 2.86 2.56 -0.28 5.22 0.40 0.05 -0.11 117.98 128.68 3n6y s PHE 144 Ca -0.05 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 3n6y s PHE 144 Cb -0.12 -1.28 0.06 0.00 0.51 0.00 0.00 43.02 42.18 3n6y s PHE 144 CO -0.18 0.48 -0.05 -1.14 0.70 0.00 0.00 175.22 175.02 3n6y s GLN 145 N -2.60 2.28 7.91 0.44 0.74 0.59 -0.30 119.66 128.71 3n6y s GLN 145 Ca 0.22 -1.35 0.00 0.00 0.05 0.00 0.00 55.36 54.28 3n6y s GLN 145 Cb -0.09 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.98 3n6y s GLN 145 CO 0.13 -0.62 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 3n6y n GLY 146 N 4.50 3.58 0.01 2.59 0.00 -1.26 -1.83 105.19 112.78 3n6y n GLY 146 Ca -0.13 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3n6y n GLY 146 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n6y n ASP 147 N 5.72 0.14 -4.67 1.61 8.00 -1.26 -4.88 116.55 121.21 3n6y n ASP 147 Ca 0.00 0.19 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 3n6y n ASP 147 Cb 0.00 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 3n6y n ASP 147 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3n6y s ARG 148 N -2.92 4.18 -0.14 -1.24 3.52 -0.76 -5.05 118.95 116.55 3n6y s ARG 148 Ca 0.16 0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 3n6y s ARG 148 Cb 0.19 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3n6y s ARG 148 CO 0.55 -0.03 1.00 -1.17 -0.81 0.00 0.00 175.30 174.85 3n6y s LEU 149 N 1.27 4.21 -0.16 -0.88 2.96 -1.26 -0.30 118.68 124.51 3n6y s LEU 149 Ca 0.19 1.47 -0.09 0.00 -0.22 0.00 0.00 54.13 55.48 3n6y s LEU 149 Cb -0.15 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 3n6y s LEU 149 CO 0.08 -0.50 0.25 0.18 -1.32 0.00 0.00 176.35 175.04 3n6y n LEU 150 N 5.34 2.48 -3.59 -0.68 4.77 0.84 -4.96 117.00 121.20 3n6y n LEU 150 Ca 0.09 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3n6y n LEU 150 Cb 0.48 -1.06 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 3n6y n LEU 150 CO 0.52 0.73 0.31 0.00 -1.33 0.00 0.00 177.39 177.62 3n6y s ALA 151 N -2.51 -1.46 0.00 -1.18 0.00 -1.16 -4.86 121.76 110.58 3n6y s ALA 151 Ca -0.26 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 3n6y s ALA 151 Cb 0.07 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.29 3n6y s ALA 151 CO 0.70 -0.36 0.36 -1.83 0.00 0.00 0.00 175.76 174.64 3n6y s GLU 152 N -1.38 0.77 -0.13 0.00 -1.05 -1.26 -0.90 118.70 114.75 3n6y s GLU 152 Ca -0.11 -0.22 -0.13 0.00 -0.15 0.00 0.00 54.97 54.35 3n6y s GLU 152 Cb -0.01 0.34 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 3n6y s GLU 152 CO 0.07 -0.23 0.37 0.21 0.95 0.00 0.00 175.26 176.63 3n6y s LYS 153 N -1.69 0.47 -0.23 -4.83 2.47 -0.48 -5.02 119.74 110.43 3n6y s LYS 153 Ca -0.11 0.45 -0.09 0.00 -1.56 0.00 0.00 55.97 54.67 3n6y s LYS 153 Cb -0.03 0.22 -0.04 0.00 -1.46 0.00 0.00 37.83 36.52 3n6y s LYS 153 CO 0.03 -0.07 0.11 -1.12 0.16 0.00 0.00 175.35 174.46 3n6y s SER 154 N 0.04 5.70 -0.01 1.43 0.01 -1.26 -0.95 113.70 118.66 3n6y s SER 154 Ca -0.01 0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.29 3n6y s SER 154 Cb -0.03 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 3n6y s SER 154 CO 0.01 0.06 -0.12 -0.36 0.41 0.00 0.00 173.24 173.24 3n6y s PHE 155 N 1.09 2.76 -0.30 2.43 0.08 0.16 -4.84 117.98 119.35 3n6y s PHE 155 Ca 0.06 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 3n6y s PHE 155 Cb -0.14 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3n6y s PHE 155 CO 0.04 0.28 0.10 -0.51 -0.10 0.00 0.00 175.22 175.03 3n6y s ASP 156 N -1.12 5.22 -0.28 1.36 1.01 0.56 -0.85 116.67 122.57 3n6y s ASP 156 Ca 0.14 -0.73 -0.11 0.00 0.71 0.00 0.00 52.55 52.55 3n6y s ASP 156 Cb -0.11 -1.90 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 3n6y s ASP 156 CO 0.04 -0.21 0.21 -0.69 0.21 0.00 0.00 175.17 174.73 3n6y s VAL 157 N 1.51 5.30 0.00 -1.27 1.01 -0.35 -1.16 120.40 125.44 3n6y s VAL 157 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3n6y s VAL 157 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3n6y s VAL 157 CO 0.03 0.22 0.00 -2.11 0.00 0.00 0.00 175.10 173.24