#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1f s VAL 45 N 0.00 4.61 0.61 4.08 1.01 -1.26 -5.07 120.40 124.38 3n1f s VAL 45 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3n1f s VAL 45 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3n1f s VAL 45 CO 0.00 0.09 1.15 -2.16 0.00 0.00 0.00 175.10 174.18 3n1f s PRO 46 N 1.62 2.95 0.49 2.72 0.04 -1.26 -4.79 135.00 136.76 3n1f s PRO 46 Ca 0.05 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.50 3n1f s PRO 46 Cb -0.17 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3n1f s PRO 46 CO 0.06 -1.18 1.14 -0.51 0.04 0.00 0.00 177.00 176.56 3n1f s LEU 47 N -4.33 3.92 0.52 -3.56 1.02 -0.57 -4.91 118.68 110.77 3n1f s LEU 47 Ca 0.73 2.23 -0.10 0.00 0.02 0.00 0.00 54.13 57.01 3n1f s LEU 47 Cb -0.25 -4.37 -0.05 0.00 0.02 0.00 0.00 46.19 41.54 3n1f s LEU 47 CO 0.35 -0.99 0.90 0.00 0.02 0.00 0.00 176.35 176.62 3n1f s ALA 48 N -1.65 3.24 0.13 4.21 0.00 -1.26 -4.40 121.76 122.03 3n1f s ALA 48 Ca 0.67 -0.19 -0.35 0.00 0.00 0.00 0.00 51.96 52.08 3n1f s ALA 48 Cb -0.26 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 3n1f s ALA 48 CO 0.31 -0.37 1.42 0.98 0.00 0.00 0.00 175.76 178.09 3n1f n TYR 49 N -2.11 1.80 -0.90 0.00 9.36 -1.26 -1.05 117.16 123.00 3n1f n TYR 49 Ca 0.04 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.76 3n1f n TYR 49 Cb 0.54 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 3n1f n TYR 49 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1f n LYS 50 N 2.76 -0.27 -2.31 2.98 4.76 0.01 -5.02 118.16 121.08 3n1f n LYS 50 Ca 0.17 0.07 -0.37 0.00 -2.87 0.00 0.00 58.31 55.31 3n1f n LYS 50 Cb 0.23 -3.37 -0.01 0.00 -1.84 0.00 0.00 35.03 30.04 3n1f n LYS 50 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1f s GLN 51 N -0.47 3.78 0.06 1.97 0.74 -0.22 -4.77 119.66 120.76 3n1f s GLN 51 Ca 0.00 1.71 0.05 0.00 0.05 0.00 0.00 55.36 57.17 3n1f s GLN 51 Cb 0.00 -2.37 -0.03 0.00 1.10 0.00 0.00 33.01 31.71 3n1f s GLN 51 CO 0.00 -0.52 -0.14 -0.59 -0.55 0.00 0.00 175.29 173.49 3n1f s PHE 52 N -1.60 1.19 -0.10 1.67 -0.71 -1.26 -1.07 117.98 116.11 3n1f s PHE 52 Ca 0.64 -0.44 -0.05 0.00 -1.04 0.00 0.00 56.93 56.03 3n1f s PHE 52 Cb -0.27 -0.68 0.04 0.00 -1.21 0.00 0.00 43.02 40.90 3n1f s PHE 52 CO 0.32 0.05 0.23 0.45 -1.34 0.00 0.00 175.22 174.93 3n1f s SER 53 N -1.62 -0.24 1.05 1.98 0.15 0.59 -4.12 113.70 111.48 3n1f s SER 53 Ca -0.02 0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.99 3n1f s SER 53 Cb -0.10 0.39 0.22 0.00 -1.71 0.00 0.00 66.02 64.82 3n1f s SER 53 CO 0.02 -0.15 1.08 -2.16 1.20 0.00 0.00 173.24 173.23 3n1f s PRO 54 N 1.02 0.05 -1.22 5.44 0.04 -1.26 -0.82 135.00 138.24 3n1f s PRO 54 Ca -0.07 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.42 3n1f s PRO 54 Cb -0.09 -1.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 3n1f s PRO 54 CO -0.07 -3.00 3.00 -1.71 0.04 0.00 0.00 177.00 175.27 3n1f n ASN 55 N -4.36 7.90 -4.09 6.66 5.15 -1.26 -4.79 115.26 120.46 3n1f n ASN 55 Ca 0.04 -2.67 -0.10 0.00 -0.60 0.00 0.00 54.58 51.25 3n1f n ASN 55 Cb 0.57 -1.49 -0.08 0.00 -0.53 0.00 0.00 39.78 38.25 3n1f n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3n1f s VAL 56 N 1.25 0.01 0.48 3.44 -7.23 -1.26 -5.14 120.40 111.95 3n1f s VAL 56 Ca 0.67 -1.70 -0.23 0.00 -1.81 0.00 0.00 61.98 58.90 3n1f s VAL 56 Cb 0.22 -2.29 -0.07 0.00 0.56 0.00 0.00 36.38 34.80 3n1f s VAL 56 CO -0.06 -0.05 1.31 -2.84 -0.31 0.00 0.00 175.10 173.15 3n1f s PRO 57 N -4.08 3.55 0.24 4.82 0.02 -1.26 -4.91 135.00 133.38 3n1f s PRO 57 Ca 0.30 2.14 -0.07 0.00 0.02 0.00 0.00 61.00 63.39 3n1f s PRO 57 Cb 0.04 -2.46 0.42 0.00 0.02 0.00 0.00 34.50 32.52 3n1f s PRO 57 CO 0.09 -0.83 1.65 1.49 -0.33 0.00 0.00 177.00 179.06 3n1f h GLU 58 N 1.99 0.13 -1.00 5.54 4.81 -1.97 -2.73 114.58 121.35 3n1f h GLU 58 Ca -0.50 -0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 58.26 3n1f h GLU 58 Cb 1.27 -0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.35 3n1f h GLU 58 CO 0.60 0.09 0.59 1.63 -0.73 0.00 0.00 179.01 181.18 3n1f n LYS 59 N -5.30 2.11 -3.45 1.92 5.02 -1.26 -0.46 118.16 116.74 3n1f n LYS 59 Ca 0.13 -2.66 -0.19 0.00 -2.02 0.00 0.00 58.31 53.58 3n1f n LYS 59 Cb 0.46 -2.04 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 3n1f n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3n1f s THR 60 N -2.95 3.92 0.41 -0.18 -4.23 -1.03 -2.78 115.64 108.79 3n1f s THR 60 Ca 0.50 -1.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.09 3n1f s THR 60 Cb 0.42 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 71.10 3n1f s THR 60 CO 0.09 -0.14 1.96 -0.07 -0.54 0.00 0.00 174.62 175.92 3n1f h LEU 61 N 0.89 0.21 -0.06 4.79 3.38 -1.90 0.37 115.31 123.00 3n1f h LEU 61 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3n1f h LEU 61 Cb 1.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3n1f h LEU 61 CO 0.52 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.99 3n1f n GLY 62 N -1.02 -1.24 0.00 0.83 0.00 -1.26 -4.66 105.19 97.83 3n1f n GLY 62 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3n1f n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1f n ALA 63 N -1.54 0.00 1.07 4.61 0.00 -0.01 -4.90 120.51 119.74 3n1f n ALA 63 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3n1f n ALA 63 Cb 0.25 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.81 3n1f n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1f n SER 64 N 0.00 1.38 -0.29 0.00 7.64 0.39 -4.62 113.62 118.13 3n1f n SER 64 Ca 0.00 -1.10 0.04 0.00 1.01 0.00 0.00 58.87 58.82 3n1f n SER 64 Cb 0.00 0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 3n1f n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1f n GLY 65 N 1.42 -1.94 3.75 0.23 0.00 -0.42 -3.66 105.19 104.58 3n1f n GLY 65 Ca 0.09 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 3n1f n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n1f s ARG 66 N -2.04 2.77 0.23 1.61 1.70 -1.12 -4.31 118.95 117.79 3n1f s ARG 66 Ca 0.00 1.64 -0.31 0.00 -0.47 0.00 0.00 55.73 56.59 3n1f s ARG 66 Cb 0.00 -1.92 -0.11 0.00 -0.57 0.00 0.00 34.95 32.34 3n1f s ARG 66 CO 0.00 -1.32 1.65 -0.47 -1.08 0.00 0.00 175.30 174.08 3n1f s TYR 67 N -1.95 2.89 -1.56 5.89 5.04 -1.26 -4.92 117.35 121.48 3n1f s TYR 67 Ca 0.73 0.54 0.13 0.00 -2.44 0.00 0.00 57.07 56.03 3n1f s TYR 67 Cb -0.26 -4.07 0.09 0.00 0.35 0.00 0.00 41.96 38.07 3n1f s TYR 67 CO 0.38 -3.89 0.89 0.39 -1.34 0.00 0.00 175.55 171.97 3n1f n GLU 68 N 3.40 0.88 0.00 4.97 1.02 -1.26 -5.08 120.64 124.57 3n1f n GLU 68 Ca 0.13 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 3n1f n GLU 68 Cb 0.37 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3n1f n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1f n GLY 69 N 0.74 3.30 3.72 0.62 0.00 -1.26 -5.05 105.19 107.26 3n1f n GLY 69 Ca 0.07 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3n1f n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3n1f n LYS 70 N -0.16 2.36 -3.36 1.61 4.81 -1.26 -4.69 118.16 117.48 3n1f n LYS 70 Ca 0.00 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.85 3n1f n LYS 70 Cb 0.00 -2.51 -0.09 0.00 0.02 0.00 0.00 35.03 32.45 3n1f n LYS 70 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3n1f s ILE 71 N -0.65 5.13 0.31 3.15 1.01 0.03 -5.00 121.20 125.18 3n1f s ILE 71 Ca 0.59 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 3n1f s ILE 71 Cb -0.55 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3n1f s ILE 71 CO 0.57 -0.33 0.58 0.00 0.00 0.00 0.00 174.94 175.76 3n1f s ALA 72 N 2.03 3.59 0.38 9.38 0.00 -1.26 -4.86 121.76 131.02 3n1f s ALA 72 Ca 0.11 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.62 3n1f s ALA 72 Cb -0.17 -2.34 0.84 0.00 0.00 0.00 0.00 23.12 21.45 3n1f s ALA 72 CO 0.13 0.19 1.93 -0.09 0.00 0.00 0.00 175.76 177.92 3n1f h ARG 73 N 1.56 0.63 0.00 0.00 2.43 -1.98 -1.47 114.38 115.55 3n1f h ARG 73 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3n1f h ARG 73 Cb 1.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3n1f h ARG 73 CO 0.66 0.42 0.00 -1.13 -1.51 0.00 0.00 179.97 178.40 3n1f n SER 74 N -4.50 0.00 -4.94 -3.80 3.41 -1.26 -4.87 113.62 97.66 3n1f n SER 74 Ca 0.13 -0.73 -0.21 0.00 -0.26 0.00 0.00 58.87 57.79 3n1f n SER 74 Cb 0.35 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 3n1f n SER 74 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3n1f s SER 75 N -2.01 6.14 0.22 4.04 1.04 -0.55 -5.02 113.70 117.57 3n1f s SER 75 Ca 0.36 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 3n1f s SER 75 Cb 0.16 -1.75 0.19 0.00 0.10 0.00 0.00 66.02 64.73 3n1f s SER 75 CO 0.28 -0.07 1.80 -0.33 0.98 0.00 0.00 173.24 175.89 3n1f h GLU 76 N 1.23 1.18 0.00 4.02 4.39 -1.91 -2.69 114.58 120.80 3n1f h GLU 76 Ca -0.51 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 58.95 3n1f h GLU 76 Cb 1.23 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3n1f h GLU 76 CO 0.61 0.94 -0.15 0.00 -1.16 0.00 0.00 179.01 179.24 3n1f h ARG 77 N 1.15 0.00 -0.35 2.33 3.08 -1.95 -1.82 114.38 116.82 3n1f h ARG 77 Ca 0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 3n1f h ARG 77 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3n1f h ARG 77 CO -0.02 0.15 -0.00 0.35 -1.07 0.00 0.00 179.97 179.38 3n1f h PHE 78 N 0.00 0.57 0.00 3.04 3.57 -1.68 -2.31 116.94 120.13 3n1f h PHE 78 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3n1f h PHE 78 Cb 0.41 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3n1f h PHE 78 CO 0.00 0.56 -0.02 0.87 -2.23 0.00 0.00 178.31 177.49 3n1f h LYS 79 N 0.52 0.00 0.00 1.11 1.57 -1.37 -1.40 116.57 117.01 3n1f h LYS 79 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3n1f h LYS 79 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3n1f h LYS 79 CO 0.01 0.02 -0.15 0.39 -0.57 0.00 0.00 179.45 179.15 3n1f n GLU 80 N -3.38 0.16 -2.93 3.15 1.02 -0.87 -4.76 120.64 113.04 3n1f n GLU 80 Ca -0.03 0.11 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 3n1f n GLU 80 Cb 0.12 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.83 3n1f n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n1f s LEU 81 N -3.85 4.39 0.16 -4.62 1.43 -0.53 -4.96 118.68 110.70 3n1f s LEU 81 Ca 0.11 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 54.71 3n1f s LEU 81 Cb 0.15 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3n1f s LEU 81 CO 0.61 -0.10 -0.17 0.42 0.23 0.00 0.00 176.35 177.34 3n1f s THR 82 N 0.50 1.72 0.24 5.49 -4.23 -1.26 -4.94 115.64 113.16 3n1f s THR 82 Ca 0.42 -1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 58.71 3n1f s THR 82 Cb -0.20 -1.81 -0.09 0.00 1.34 0.00 0.00 72.50 71.74 3n1f s THR 82 CO 0.23 -0.37 0.96 -2.16 -0.54 0.00 0.00 174.62 172.74 3n1f s PRO 83 N -2.88 4.83 -0.34 3.99 0.04 -1.26 -3.52 135.00 135.87 3n1f s PRO 83 Ca 0.15 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 3n1f s PRO 83 Cb -0.05 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.23 3n1f s PRO 83 CO 0.06 0.48 0.87 1.21 0.04 0.00 0.00 177.00 179.66 3n1f s ASN 84 N -1.13 6.68 -0.28 6.66 3.84 0.60 -4.92 114.94 126.39 3n1f s ASN 84 Ca 0.41 0.63 0.11 0.00 0.21 0.00 0.00 52.86 54.22 3n1f s ASN 84 Cb -0.27 -2.44 0.57 0.00 -0.55 0.00 0.00 41.25 38.56 3n1f s ASN 84 CO 0.33 -0.76 1.56 -1.22 -2.79 0.00 0.00 177.10 174.23 3n1f n TYR 85 N 6.53 1.50 -1.86 0.43 4.01 -1.26 -4.80 117.16 121.70 3n1f n TYR 85 Ca 0.06 -1.37 -0.42 0.00 -0.16 0.00 0.00 57.90 56.01 3n1f n TYR 85 Cb 0.48 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 3n1f n TYR 85 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3n1f s ASN 86 N -1.99 6.57 0.61 7.72 3.84 -1.26 -4.87 114.94 125.56 3n1f s ASN 86 Ca 0.47 2.47 0.39 0.00 0.21 0.00 0.00 52.86 56.41 3n1f s ASN 86 Cb 0.40 -2.54 1.92 0.00 -0.55 0.00 0.00 41.25 40.48 3n1f s ASN 86 CO 0.06 -0.96 2.18 -0.65 -2.79 0.00 0.00 177.10 174.94 3n1f h PRO 87 N 9.45 0.00 0.00 0.43 0.11 -2.04 -2.52 132.00 137.43 3n1f h PRO 87 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3n1f h PRO 87 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3n1f h PRO 87 CO 0.94 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 3n1f n ASP 88 N -3.06 0.00 -4.07 -2.05 8.00 -1.26 -4.78 116.55 109.33 3n1f n ASP 88 Ca -0.01 -0.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.19 3n1f n ASP 88 Cb 0.18 -0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.89 3n1f n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1f s ILE 89 N -2.46 1.11 -0.18 0.53 1.01 -0.95 -4.00 121.20 116.25 3n1f s ILE 89 Ca 0.18 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 3n1f s ILE 89 Cb 0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3n1f s ILE 89 CO 0.24 0.33 0.33 -0.63 0.00 0.00 0.00 174.94 175.21 3n1f s ILE 90 N 0.07 5.26 -0.24 2.92 1.01 -0.38 -4.88 121.20 124.96 3n1f s ILE 90 Ca -0.03 0.60 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 3n1f s ILE 90 Cb -0.10 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 3n1f s ILE 90 CO 0.01 0.32 0.03 -0.36 0.00 0.00 0.00 174.94 174.94 3n1f s PHE 91 N 0.89 3.04 0.12 3.97 0.08 -1.26 -0.43 117.98 124.38 3n1f s PHE 91 Ca 0.17 -0.65 -0.24 0.00 0.12 0.00 0.00 56.93 56.33 3n1f s PHE 91 Cb -0.14 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.07 3n1f s PHE 91 CO 0.06 -0.44 1.67 -0.22 -0.10 0.00 0.00 175.22 176.18 3n1f h LYS 92 N 8.19 -0.23 -6.33 0.44 3.64 -1.42 -3.46 116.57 117.38 3n1f h LYS 92 Ca -0.39 0.02 -0.47 0.00 -1.27 0.00 0.00 60.65 58.53 3n1f h LYS 92 Cb 1.17 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3n1f h LYS 92 CO 0.59 -0.16 -0.83 -3.47 -2.27 0.00 0.00 179.45 173.31 3n1f n ASP 93 N -5.29 -1.97 0.30 4.20 2.03 -1.26 -4.83 116.55 109.73 3n1f n ASP 93 Ca -0.05 -0.89 0.19 0.00 0.52 0.00 0.00 54.79 54.57 3n1f n ASP 93 Cb 0.21 -3.57 0.94 0.00 -0.72 0.00 0.00 41.12 37.97 3n1f n ASP 93 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1f h GLU 94 N -1.87 0.00 0.00 -0.67 9.09 -1.89 -0.99 114.58 118.25 3n1f h GLU 94 Ca -0.61 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.79 3n1f h GLU 94 Cb 1.37 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.47 3n1f h GLU 94 CO 0.63 0.02 -0.04 0.93 0.05 0.00 0.00 179.01 180.60 3n1f h GLU 95 N 0.00 0.00 -6.41 1.06 3.07 -1.96 -3.47 114.58 106.86 3n1f h GLU 95 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 3n1f h GLU 95 Cb 0.26 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.07 3n1f h GLU 95 CO 0.00 0.04 -0.77 0.09 -1.40 0.00 0.00 179.01 176.97 3n1f n ASN 96 N -3.19 -4.37 0.00 1.42 3.02 -0.38 -4.84 115.26 106.92 3n1f n ASN 96 Ca -0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3n1f n ASN 96 Cb 0.28 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3n1f n ASN 96 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3n1f n THR 97 N -4.58 0.00 -0.97 3.41 -2.24 -1.26 -5.02 114.28 103.63 3n1f n THR 97 Ca 0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3n1f n THR 97 Cb 0.51 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3n1f n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n1f n GLY 98 N 0.90 0.72 0.35 3.38 0.00 -1.26 -4.94 105.19 104.33 3n1f n GLY 98 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3n1f n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1f h ALA 99 N 0.00 1.56 0.00 4.61 0.00 -1.95 -2.34 119.26 121.14 3n1f h ALA 99 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3n1f h ALA 99 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3n1f h ALA 99 CO 0.00 0.05 -0.10 -0.44 0.00 0.00 0.00 179.25 178.76 3n1f h ASP 100 N 0.84 0.00 1.58 0.00 3.32 -1.93 -0.72 116.42 119.51 3n1f h ASP 100 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 3n1f h ASP 100 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3n1f h ASP 100 CO -0.34 0.10 0.00 0.03 -1.72 0.00 0.00 179.24 177.32 3n1f h ARG 101 N 0.00 0.00 -6.27 3.56 3.08 -1.73 -3.30 114.38 109.71 3n1f h ARG 101 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3n1f h ARG 101 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3n1f h ARG 101 CO 0.01 0.00 0.51 -0.51 -1.07 0.00 0.00 179.97 178.91 3n1f s LEU 102 N -5.70 4.27 0.04 3.04 1.43 -0.28 -0.29 118.68 121.19 3n1f s LEU 102 Ca 0.06 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.42 3n1f s LEU 102 Cb 0.08 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.86 3n1f s LEU 102 CO 0.61 -0.40 0.90 0.00 0.23 0.00 0.00 176.35 177.69 3n1f s MET 103 N 1.77 0.92 0.94 1.70 0.23 -1.23 -1.90 119.30 121.74 3n1f s MET 103 Ca 0.48 -0.39 -0.12 0.00 -1.03 0.00 0.00 55.69 54.63 3n1f s MET 103 Cb -0.19 0.39 0.16 0.00 -1.53 0.00 0.00 34.83 33.66 3n1f s MET 103 CO 0.20 -0.41 1.09 0.95 -2.03 0.00 0.00 175.02 174.82 3n1f s THR 104 N -3.18 2.45 0.21 3.16 -4.23 -0.41 -4.11 115.64 109.53 3n1f s THR 104 Ca 0.07 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 3n1f s THR 104 Cb -0.01 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.42 3n1f s THR 104 CO -0.06 -0.19 1.80 -0.61 -0.54 0.00 0.00 174.62 175.01 3n1f h GLN 105 N -1.75 1.11 -0.68 3.99 5.75 -1.93 -0.47 115.11 121.13 3n1f h GLN 105 Ca -0.51 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 57.76 3n1f h GLN 105 Cb 1.30 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 3n1f h GLN 105 CO 0.54 0.86 0.17 -0.09 -2.65 0.00 0.00 178.83 177.66 3n1f h ARG 106 N 1.08 1.08 -0.60 1.69 2.43 -1.92 -0.09 114.38 118.06 3n1f h ARG 106 Ca 0.26 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3n1f h ARG 106 Cb 0.12 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3n1f h ARG 106 CO -0.03 0.95 0.25 0.00 -1.51 0.00 0.00 179.97 179.62 3n1f h LYS 108 N 0.82 0.73 -0.11 0.00 1.57 -0.48 0.90 116.57 120.01 3n1f h LYS 108 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3n1f h LYS 108 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3n1f h LYS 108 CO -0.02 0.48 0.07 -0.44 -0.57 0.00 0.00 179.45 178.97 3n1f h ASP 109 N 0.75 0.12 -0.39 0.86 3.32 -0.58 0.11 116.42 120.62 3n1f h ASP 109 Ca 0.25 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 3n1f h ASP 109 Cb 0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3n1f h ASP 109 CO -0.11 0.12 -0.25 0.03 -1.72 0.00 0.00 179.24 177.31 3n1f h ARG 110 N 0.12 0.86 -0.61 3.56 2.47 -1.16 -2.26 114.38 117.37 3n1f h ARG 110 Ca 0.04 -0.40 -0.06 0.00 -1.26 0.00 0.00 59.98 58.30 3n1f h ARG 110 Cb 0.02 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 3n1f h ARG 110 CO -0.01 1.04 0.13 1.25 0.56 0.00 0.00 179.97 182.95 3n1f h LEU 111 N 0.67 0.90 -0.44 3.04 5.85 -0.52 -1.27 115.31 123.54 3n1f h LEU 111 Ca 0.08 -0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 3n1f h LEU 111 Cb 0.82 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3n1f h LEU 111 CO 0.07 0.88 -0.61 0.78 -0.34 0.00 0.00 178.44 179.22 3n1f h ASN 112 N 0.91 0.65 -0.44 1.25 2.35 -0.63 -0.24 115.58 119.44 3n1f h ASN 112 Ca 0.19 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3n1f h ASN 112 Cb 0.35 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3n1f h ASN 112 CO 0.00 1.11 0.24 0.28 -1.65 0.00 0.00 177.43 177.41 3n1f h SER 113 N 0.43 0.55 -0.97 5.81 0.02 -1.22 -2.68 113.55 115.49 3n1f h SER 113 Ca -0.01 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3n1f h SER 113 Cb 1.18 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 3n1f h SER 113 CO 0.12 0.49 0.62 0.25 -1.14 0.00 0.00 176.83 177.17 3n1f h LEU 114 N 0.57 1.14 -1.00 5.07 5.85 -1.03 -2.17 115.31 123.74 3n1f h LEU 114 Ca 0.15 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3n1f h LEU 114 Cb 0.06 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 3n1f h LEU 114 CO -0.02 0.84 0.64 0.00 -0.34 0.00 0.00 178.44 179.56 3n1f h ALA 115 N 1.34 1.40 -0.25 1.25 0.00 -0.72 0.46 119.26 122.74 3n1f h ALA 115 Ca 0.35 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3n1f h ALA 115 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3n1f h ALA 115 CO -0.07 0.43 -0.09 0.82 0.00 0.00 0.00 179.25 180.33 3n1f h ILE 116 N 1.16 1.29 -0.03 0.00 2.04 -1.17 -2.82 117.51 117.98 3n1f h ILE 116 Ca 0.44 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 3n1f h ILE 116 Cb 0.19 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3n1f h ILE 116 CO -0.18 0.36 -0.42 0.77 0.00 0.00 0.00 178.15 178.67 3n1f h SER 117 N 0.24 0.07 -0.19 1.72 4.64 -0.74 -1.73 113.55 117.55 3n1f h SER 117 Ca 0.06 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3n1f h SER 117 Cb 0.58 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3n1f h SER 117 CO 0.03 0.49 0.06 0.58 -0.87 0.00 0.00 176.83 177.12 3n1f h VAL 118 N 0.06 1.19 -0.39 0.95 2.07 -0.91 -0.58 116.25 118.64 3n1f h VAL 118 Ca 0.00 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3n1f h VAL 118 Cb 0.78 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3n1f h VAL 118 CO 0.06 0.19 0.15 0.24 0.02 0.00 0.00 177.57 178.23 3n1f h MET 119 N 0.13 0.55 -0.17 1.57 2.07 -1.22 -1.39 114.93 116.47 3n1f h MET 119 Ca 0.06 -0.07 -0.16 0.00 -2.07 0.00 0.00 59.70 57.46 3n1f h MET 119 Cb 0.24 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 3n1f h MET 119 CO -0.00 0.46 -0.57 -0.91 1.07 0.00 0.00 176.91 176.96 3n1f h ASN 120 N 0.55 0.58 -0.09 1.22 2.35 -1.11 -3.16 115.58 115.93 3n1f h ASN 120 Ca 0.14 -0.32 -0.21 0.00 -0.55 0.00 0.00 56.30 55.36 3n1f h ASN 120 Cb 0.12 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.33 3n1f h ASN 120 CO -0.01 1.03 -0.75 -0.61 -1.65 0.00 0.00 177.43 175.44 3n1f h GLN 121 N 0.39 0.73 -2.69 0.81 5.75 -0.67 -3.40 115.11 116.04 3n1f h GLN 121 Ca 0.00 -0.58 -0.60 0.00 -0.15 0.00 0.00 58.65 57.33 3n1f h GLN 121 Cb 1.11 0.12 -0.39 0.00 1.07 0.00 0.00 27.48 29.38 3n1f h GLN 121 CO 0.10 1.19 -0.83 -1.58 -2.65 0.00 0.00 178.83 175.07 3n1f s TRP 122 N -3.77 1.47 0.21 3.99 0.51 -0.56 -5.10 118.94 115.68 3n1f s TRP 122 Ca -0.09 -2.22 -0.32 0.00 -2.12 0.00 0.00 56.10 51.35 3n1f s TRP 122 Cb 0.09 -1.38 -0.15 0.00 -0.81 0.00 0.00 33.47 31.23 3n1f s TRP 122 CO 0.89 -0.79 1.22 -2.30 -0.51 0.00 0.00 176.95 175.47 3n1f n PRO 123 N 3.37 1.48 -0.05 4.98 -0.02 -1.19 -1.39 135.00 142.18 3n1f n PRO 123 Ca 0.17 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3n1f n PRO 123 Cb 0.39 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3n1f n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1f n GLY 124 N 1.94 1.46 3.66 -1.23 0.00 -1.26 -5.03 105.19 104.72 3n1f n GLY 124 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3n1f n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1f s VAL 125 N -2.56 3.98 0.22 1.61 1.01 -0.49 -5.01 120.40 119.16 3n1f s VAL 125 Ca 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3n1f s VAL 125 Cb 0.00 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 3n1f s VAL 125 CO 0.00 0.35 -0.10 -0.54 0.00 0.00 0.00 175.10 174.81 3n1f s LYS 126 N -1.61 1.33 0.21 2.72 1.02 -1.26 -4.02 119.74 118.13 3n1f s LYS 126 Ca 0.19 -1.62 -0.30 0.00 0.02 0.00 0.00 55.97 54.26 3n1f s LYS 126 Cb -0.11 -0.97 -0.09 0.00 -0.52 0.00 0.00 37.83 36.14 3n1f s LYS 126 CO 0.10 0.09 1.24 -1.17 -0.92 0.00 0.00 175.35 174.69 3n1f s LEU 127 N -3.32 4.45 -0.07 3.17 2.96 -1.26 -0.33 118.68 124.29 3n1f s LEU 127 Ca 0.24 2.34 0.04 0.00 -0.22 0.00 0.00 54.13 56.53 3n1f s LEU 127 Cb 0.02 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3n1f s LEU 127 CO 0.07 -0.42 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.90 3n1f s ARG 128 N -0.47 2.19 -0.26 1.98 3.52 -0.33 -1.25 118.95 124.33 3n1f s ARG 128 Ca 0.53 -0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 55.39 3n1f s ARG 128 Cb -0.35 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 3n1f s ARG 128 CO 0.39 0.17 0.12 0.08 -0.81 0.00 0.00 175.30 175.25 3n1f s VAL 129 N 0.29 4.71 -0.01 7.11 1.01 0.42 -0.84 120.40 133.10 3n1f s VAL 129 Ca -0.11 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3n1f s VAL 129 Cb -0.15 -3.22 -0.25 0.00 0.00 0.00 0.00 36.38 32.76 3n1f s VAL 129 CO 0.05 0.31 0.78 0.71 0.00 0.00 0.00 175.10 176.94 3n1f h THR 130 N 5.45 1.04 -3.46 3.92 1.35 -1.15 -0.82 112.91 119.23 3n1f h THR 130 Ca -0.37 -2.79 -0.28 0.00 -0.55 0.00 0.00 66.41 62.43 3n1f h THR 130 Cb 1.18 2.61 -0.33 0.00 -1.73 0.00 0.00 68.15 69.88 3n1f h THR 130 CO 0.57 0.72 -0.69 -1.61 -0.25 0.00 0.00 175.52 174.27 3n1f s GLU 131 N -2.61 0.00 0.00 4.72 0.41 -1.18 -4.63 118.70 115.41 3n1f s GLU 131 Ca -0.08 0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 3n1f s GLU 131 Cb 0.08 -0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.22 3n1f s GLU 131 CO 0.83 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.85 3n1f n GLY 132 N 4.07 1.24 3.76 -1.39 0.00 -1.24 -1.04 105.19 110.59 3n1f n GLY 132 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3n1f n GLY 132 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1f s TRP 133 N 3.23 2.68 -0.05 1.61 -0.00 -0.80 -4.75 118.94 120.86 3n1f s TRP 133 Ca 0.00 0.95 0.04 0.00 -0.00 0.00 0.00 56.10 57.09 3n1f s TRP 133 Cb 0.00 -4.05 -0.00 0.00 -0.00 0.00 0.00 33.47 29.42 3n1f s TRP 133 CO 0.00 -3.32 -0.18 0.34 -0.00 0.00 0.00 176.95 173.78 3n1f s ASP 134 N 0.21 2.31 0.00 5.86 2.15 -0.75 -4.25 116.67 122.21 3n1f s ASP 134 Ca 0.59 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 53.22 3n1f s ASP 134 Cb -0.47 -0.74 0.03 0.00 -0.30 0.00 0.00 42.92 41.44 3n1f s ASP 134 CO 0.55 0.15 0.65 -1.84 -0.17 0.00 0.00 175.17 174.51 3n1f n GLU 135 N 3.25 -0.21 -0.01 4.34 0.28 -1.26 -4.48 120.64 122.54 3n1f n GLU 135 Ca -0.19 -0.80 -0.09 0.00 -0.16 0.00 0.00 57.16 55.93 3n1f n GLU 135 Cb 0.53 -1.07 0.07 0.00 1.43 0.00 0.00 31.44 32.40 3n1f n GLU 135 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1f h ASP 136 N 0.71 0.63 0.00 -1.84 3.32 -2.01 -3.48 116.42 113.74 3n1f h ASP 136 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3n1f h ASP 136 Cb 0.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3n1f h ASP 136 CO 0.00 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 3n1f n GLY 137 N 0.12 0.98 0.98 2.75 0.00 -1.26 -5.00 105.19 103.76 3n1f n GLY 137 Ca -0.02 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.61 3n1f n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1f n HIS 138 N -2.54 0.43 -1.92 1.61 1.44 -1.26 -4.96 115.22 108.02 3n1f n HIS 138 Ca 0.00 -0.22 -0.05 0.00 -2.01 0.00 0.00 57.72 55.45 3n1f n HIS 138 Cb 0.16 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.30 3n1f n HIS 138 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3n1f n HIS 139 N 1.14 -3.54 -0.95 -1.40 8.25 -1.26 -5.05 115.22 112.42 3n1f n HIS 139 Ca 0.18 -0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 57.06 3n1f n HIS 139 Cb 0.52 -0.15 0.15 0.00 1.12 0.00 0.00 29.99 31.63 3n1f n HIS 139 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3n1f s SER 140 N -1.78 3.19 0.36 0.41 1.04 -1.26 -4.89 113.70 110.77 3n1f s SER 140 Ca 0.12 1.83 0.09 0.00 0.48 0.00 0.00 55.95 58.47 3n1f s SER 140 Cb -0.01 -2.42 0.81 0.00 0.10 0.00 0.00 66.02 64.50 3n1f s SER 140 CO 0.08 -2.87 1.88 -0.33 0.98 0.00 0.00 173.24 172.98 3n1f h GLU 141 N -1.71 0.68 -1.86 4.02 4.39 -1.97 -2.50 114.58 115.63 3n1f h GLU 141 Ca -0.47 -0.04 -0.58 0.00 0.34 0.00 0.00 59.36 58.61 3n1f h GLU 141 Cb 1.27 -0.15 -0.42 0.00 -0.10 0.00 0.00 28.75 29.35 3n1f h GLU 141 CO 0.48 0.45 -0.73 0.39 -1.16 0.00 0.00 179.01 178.44 3n1f n GLU 142 N -4.55 3.14 -2.42 2.33 1.02 -1.26 -5.04 120.64 113.86 3n1f n GLU 142 Ca 0.17 -4.57 -0.39 0.00 -0.02 0.00 0.00 57.16 52.35 3n1f n GLU 142 Cb 0.45 -2.18 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 3n1f n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3n1f s SER 143 N -3.45 7.01 0.36 1.62 0.15 -0.94 -4.85 113.70 113.60 3n1f s SER 143 Ca 0.47 2.29 0.27 0.00 0.70 0.00 0.00 55.95 59.68 3n1f s SER 143 Cb 0.35 -2.62 1.17 0.00 -1.71 0.00 0.00 66.02 63.21 3n1f s SER 143 CO -0.15 -0.33 1.81 -0.07 1.20 0.00 0.00 173.24 175.70 3n1f h LEU 144 N 3.37 0.00 -1.76 3.45 3.38 -1.94 -1.44 115.31 120.36 3n1f h LEU 144 Ca -0.48 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.54 3n1f h LEU 144 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3n1f h LEU 144 CO 0.65 0.00 0.25 0.45 0.09 0.00 0.00 178.44 179.89 3n1f h HIS 145 N 0.00 0.29 0.00 1.13 3.86 -1.86 -1.54 115.15 117.04 3n1f h HIS 145 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3n1f h HIS 145 Cb 0.36 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3n1f h HIS 145 CO 0.00 0.16 0.00 0.66 0.86 0.00 0.00 177.93 179.61 3n1f n TYR 146 N -4.48 0.00 0.18 2.45 4.01 -0.54 -1.81 117.16 116.97 3n1f n TYR 146 Ca 0.04 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.84 3n1f n TYR 146 Cb 0.23 -0.42 0.10 0.00 -0.31 0.00 0.00 39.34 38.94 3n1f n TYR 146 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3n1f n GLU 147 N -1.42 1.63 -2.18 -0.72 1.02 -0.66 -0.79 120.64 117.53 3n1f n GLU 147 Ca 0.06 -1.59 -0.16 0.00 -0.02 0.00 0.00 57.16 55.46 3n1f n GLU 147 Cb 0.19 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 3n1f n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1f n GLY 148 N 0.61 -0.02 0.66 0.62 0.00 -1.00 -4.71 105.19 101.35 3n1f n GLY 148 Ca 0.09 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.93 3n1f n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1f n ARG 149 N -2.51 2.61 -3.95 1.61 1.74 -0.75 -1.28 116.66 114.13 3n1f n ARG 149 Ca -0.18 -1.99 -0.09 0.00 -0.77 0.00 0.00 57.85 54.82 3n1f n ARG 149 Cb 0.62 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 3n1f n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1f s ALA 150 N -1.00 0.02 0.05 7.54 0.00 -1.23 -0.95 121.76 126.19 3n1f s ALA 150 Ca 0.23 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3n1f s ALA 150 Cb 0.12 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3n1f s ALA 150 CO 0.17 -0.24 -0.13 0.14 0.00 0.00 0.00 175.76 175.70 3n1f s VAL 151 N -2.08 0.99 -0.15 0.00 -7.23 0.08 -4.27 120.40 107.75 3n1f s VAL 151 Ca -0.10 -1.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 3n1f s VAL 151 Cb -0.05 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3n1f s VAL 151 CO -0.03 -0.10 0.05 -1.81 -0.31 0.00 0.00 175.10 172.90 3n1f s ASP 152 N -1.30 5.55 0.11 4.85 1.01 -0.20 -0.96 116.67 125.72 3n1f s ASP 152 Ca -0.01 0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.40 3n1f s ASP 152 Cb -0.08 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 3n1f s ASP 152 CO 0.01 0.24 -0.10 0.27 0.21 0.00 0.00 175.17 175.80 3n1f s ILE 153 N -0.03 0.98 0.33 0.77 -4.36 0.20 -0.58 121.20 118.51 3n1f s ILE 153 Ca 0.05 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.73 3n1f s ILE 153 Cb -0.12 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.04 3n1f s ILE 153 CO 0.01 -0.64 0.23 0.35 0.24 0.00 0.00 174.94 175.13 3n1f n THR 154 N 0.30 0.00 -2.87 8.37 -2.24 -0.02 -1.38 114.28 116.44 3n1f n THR 154 Ca -0.14 -2.26 -0.26 0.00 -2.27 0.00 0.00 64.05 59.12 3n1f n THR 154 Cb 0.59 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3n1f n THR 154 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3n1f s THR 155 N -3.18 4.74 0.14 4.28 -4.23 -1.26 -1.19 115.64 114.94 3n1f s THR 155 Ca 0.32 -0.10 0.34 0.00 -1.18 0.00 0.00 61.69 61.07 3n1f s THR 155 Cb 0.02 -3.78 0.39 0.00 1.34 0.00 0.00 72.50 70.47 3n1f s THR 155 CO 0.23 -0.67 2.01 0.77 -0.54 0.00 0.00 174.62 176.41 3n1f h SER 156 N 0.36 0.00 0.16 3.99 4.64 -0.98 -1.73 113.55 119.99 3n1f h SER 156 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3n1f h SER 156 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3n1f h SER 156 CO 0.61 0.01 -0.11 -0.90 -0.87 0.00 0.00 176.83 175.57 3n1f n ASP 157 N -3.11 0.97 -2.96 4.97 5.68 -1.26 -4.93 116.55 115.92 3n1f n ASP 157 Ca 0.00 -1.03 -0.20 0.00 -0.50 0.00 0.00 54.79 53.06 3n1f n ASP 157 Cb 0.29 0.03 0.01 0.00 -1.14 0.00 0.00 41.12 40.31 3n1f n ASP 157 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1f n ARG 158 N -0.47 -3.41 -2.51 0.11 3.00 -0.65 -4.91 116.66 107.81 3n1f n ARG 158 Ca 0.16 0.67 -0.41 0.00 -0.01 0.00 0.00 57.85 58.26 3n1f n ARG 158 Cb 0.31 -5.40 -0.03 0.00 0.00 0.00 0.00 32.46 27.35 3n1f n ARG 158 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1f s ASP 159 N -2.49 6.12 0.64 0.55 2.15 -1.26 -4.86 116.67 117.51 3n1f s ASP 159 Ca 0.24 -0.34 0.41 0.00 0.43 0.00 0.00 52.55 53.28 3n1f s ASP 159 Cb -0.12 -2.56 2.17 0.00 -0.30 0.00 0.00 42.92 42.11 3n1f s ASP 159 CO 0.30 -1.85 2.29 0.03 -0.17 0.00 0.00 175.17 175.77 3n1f h ARG 160 N 10.36 0.00 0.00 4.34 3.08 -1.91 -0.92 114.38 129.34 3n1f h ARG 160 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3n1f h ARG 160 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3n1f h ARG 160 CO 1.27 0.01 0.00 0.09 -1.07 0.00 0.00 179.97 180.27 3n1f n ASN 161 N -3.20 0.64 0.01 7.04 3.02 -1.26 -2.14 115.26 119.36 3n1f n ASN 161 Ca -0.02 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.29 3n1f n ASN 161 Cb 0.12 -0.78 0.29 0.00 -0.61 0.00 0.00 39.78 38.80 3n1f n ASN 161 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n1f n LYS 162 N -2.19 0.03 0.17 3.52 5.02 -0.35 -4.54 118.16 119.82 3n1f n LYS 162 Ca 0.03 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 3n1f n LYS 162 Cb 0.25 -1.52 0.24 0.00 -0.02 0.00 0.00 35.03 33.99 3n1f n LYS 162 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1f h TYR 163 N 0.00 0.00 -0.47 2.13 0.05 -1.57 0.21 116.97 117.32 3n1f h TYR 163 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3n1f h TYR 163 Cb 0.52 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3n1f h TYR 163 CO 0.00 0.46 0.25 0.78 -1.05 0.00 0.00 178.16 178.61 3n1f h GLY 164 N 2.27 0.71 1.48 3.88 0.00 -1.80 -0.26 103.07 109.36 3n1f h GLY 164 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 3n1f h GLY 164 CO 0.06 0.31 -0.42 -2.00 0.00 0.00 0.00 176.54 174.50 3n1f h LEU 165 N 0.63 0.61 -0.91 3.11 5.85 -1.69 -1.33 115.31 121.57 3n1f h LEU 165 Ca 0.17 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3n1f h LEU 165 Cb 0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3n1f h LEU 165 CO -0.03 0.95 0.55 0.25 -0.34 0.00 0.00 178.44 179.83 3n1f h LEU 166 N 0.47 1.10 -0.51 2.25 5.85 -0.61 0.28 115.31 124.14 3n1f h LEU 166 Ca 0.04 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3n1f h LEU 166 Cb 0.92 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3n1f h LEU 166 CO 0.08 0.85 0.02 0.00 -0.34 0.00 0.00 178.44 179.05 3n1f h ALA 167 N 1.30 0.69 -0.83 1.25 0.00 -0.85 -0.70 119.26 120.12 3n1f h ALA 167 Ca 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3n1f h ALA 167 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3n1f h ALA 167 CO -0.06 0.48 0.41 -0.09 0.00 0.00 0.00 179.25 179.99 3n1f h ARG 168 N 0.76 1.19 -0.60 0.00 9.65 -0.66 -1.82 114.38 122.89 3n1f h ARG 168 Ca 0.15 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3n1f h ARG 168 Cb 0.49 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 3n1f h ARG 168 CO 0.02 0.90 0.23 -0.07 2.80 0.00 0.00 179.97 183.85 3n1f h LEU 169 N 1.18 0.80 -0.83 3.80 3.38 -0.47 -1.11 115.31 122.06 3n1f h LEU 169 Ca 0.29 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3n1f h LEU 169 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3n1f h LEU 169 CO -0.04 0.73 0.03 0.00 0.09 0.00 0.00 178.44 179.24 3n1f h ALA 170 N 1.39 1.03 -0.35 1.53 0.00 -0.38 -0.21 119.26 122.27 3n1f h ALA 170 Ca 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3n1f h ALA 170 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3n1f h ALA 170 CO -0.02 0.61 0.17 0.28 0.00 0.00 0.00 179.25 180.29 3n1f h VAL 171 N 0.84 1.16 0.00 0.00 2.07 -0.87 -2.65 116.25 116.81 3n1f h VAL 171 Ca 0.16 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3n1f h VAL 171 Cb 0.46 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3n1f h VAL 171 CO 0.02 0.17 -0.15 -0.33 0.02 0.00 0.00 177.57 177.30 3n1f h GLU 172 N 0.42 0.00 0.00 1.57 4.39 -0.75 -1.99 114.58 118.23 3n1f h GLU 172 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3n1f h GLU 172 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3n1f h GLU 172 CO -0.01 0.15 0.00 0.00 -1.16 0.00 0.00 179.01 177.99 3n1f n ALA 173 N -2.39 2.27 0.00 3.43 0.00 -0.13 -4.91 120.51 118.78 3n1f n ALA 173 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3n1f n ALA 173 Cb 0.24 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3n1f n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1f n GLY 174 N 1.37 1.04 3.74 0.00 0.00 -0.75 -4.70 105.19 105.89 3n1f n GLY 174 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3n1f n GLY 174 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3n1f n PHE 175 N -1.85 2.64 0.25 1.61 3.72 -1.02 -4.88 117.46 117.94 3n1f n PHE 175 Ca 0.00 0.49 0.14 0.00 -0.05 0.00 0.00 57.45 58.03 3n1f n PHE 175 Cb 0.00 -2.48 0.38 0.00 -0.94 0.00 0.00 39.48 36.44 3n1f n PHE 175 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3n1f h ASP 176 N 2.84 0.00 -3.76 4.37 3.32 -1.54 -3.44 116.42 118.21 3n1f h ASP 176 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 3n1f h ASP 176 Cb 1.26 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.57 3n1f h ASP 176 CO 0.64 0.00 -0.27 0.86 -1.72 0.00 0.00 179.24 178.75 3n1f s TRP 177 N -3.38 -0.46 -0.03 4.55 -0.00 -1.01 -4.19 118.94 114.41 3n1f s TRP 177 Ca 0.05 1.09 0.01 0.00 -0.00 0.00 0.00 56.10 57.25 3n1f s TRP 177 Cb 0.07 0.16 0.01 0.00 -0.00 0.00 0.00 33.47 33.71 3n1f s TRP 177 CO 0.62 -0.23 -0.04 0.08 -0.00 0.00 0.00 176.95 177.38 3n1f s VAL 178 N 0.42 0.45 -0.11 5.86 1.01 -0.00 -0.67 120.40 127.35 3n1f s VAL 178 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3n1f s VAL 178 Cb -0.04 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.94 3n1f s VAL 178 CO -0.02 0.18 0.15 -0.47 0.00 0.00 0.00 175.10 174.94 3n1f s TYR 179 N 0.55 -0.11 -1.35 5.22 5.04 -0.04 -0.30 117.35 126.36 3n1f s TYR 179 Ca -0.07 0.36 -0.17 0.00 -2.44 0.00 0.00 57.07 54.76 3n1f s TYR 179 Cb -0.10 -0.37 0.04 0.00 0.35 0.00 0.00 41.96 41.88 3n1f s TYR 179 CO -0.00 -0.35 1.97 0.98 -1.34 0.00 0.00 175.55 176.81 3n1f n TYR 180 N 5.31 3.98 -0.05 4.97 4.19 -0.23 -0.74 117.16 134.60 3n1f n TYR 180 Ca -0.05 -2.81 -0.06 0.00 3.31 0.00 0.00 57.90 58.29 3n1f n TYR 180 Cb 0.50 -2.57 0.12 0.00 0.49 0.00 0.00 39.34 37.88 3n1f n TYR 180 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1f h GLU 181 N 6.97 0.66 -3.85 2.98 4.81 -1.85 0.06 114.58 124.36 3n1f h GLU 181 Ca 0.49 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3n1f h GLU 181 Cb 0.76 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.95 3n1f h GLU 181 CO 1.66 0.85 -0.51 0.45 -0.73 0.00 0.00 179.01 180.73 3n1f s SER 182 N -6.78 0.20 0.61 1.04 0.15 -1.09 -4.81 113.70 103.02 3n1f s SER 182 Ca -0.08 -0.61 0.40 0.00 0.70 0.00 0.00 55.95 56.35 3n1f s SER 182 Cb 0.13 0.25 1.98 0.00 -1.71 0.00 0.00 66.02 66.67 3n1f s SER 182 CO 0.82 -0.57 2.20 0.11 1.20 0.00 0.00 173.24 177.01 3n1f h LYS 183 N 3.40 0.00 0.00 5.44 1.57 -2.00 -3.02 116.57 121.96 3n1f h LYS 183 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3n1f h LYS 183 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3n1f h LYS 183 CO 0.54 0.00 -0.44 0.00 -0.57 0.00 0.00 179.45 178.98 3n1f h ALA 184 N 2.00 0.74 -1.82 3.86 0.00 -1.98 -3.46 119.26 118.61 3n1f h ALA 184 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 3n1f h ALA 184 Cb 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 3n1f h ALA 184 CO 0.00 0.00 0.68 -3.38 0.00 0.00 0.00 179.25 176.55 3n1f s HIS 185 N -3.21 -0.17 -0.10 0.00 -3.43 -1.14 -4.83 115.29 102.41 3n1f s HIS 185 Ca 0.06 0.04 0.01 0.00 -0.80 0.00 0.00 55.06 54.37 3n1f s HIS 185 Cb 0.10 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.78 3n1f s HIS 185 CO 0.70 -0.41 -0.12 0.08 -2.00 0.00 0.00 174.74 172.99 3n1f s VAL 186 N -2.74 3.19 -0.19 -5.38 1.01 -0.48 -2.67 120.40 113.14 3n1f s VAL 186 Ca 0.10 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3n1f s VAL 186 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3n1f s VAL 186 CO -0.05 0.55 0.09 -2.28 0.00 0.00 0.00 175.10 173.42 3n1f s HIS 187 N -0.14 3.33 -0.01 5.22 5.04 0.08 -0.63 115.29 128.18 3n1f s HIS 187 Ca -0.00 0.19 0.02 0.00 -1.54 0.00 0.00 55.06 53.73 3n1f s HIS 187 Cb -0.13 -2.11 -0.00 0.00 0.04 0.00 0.00 32.58 30.37 3n1f s HIS 187 CO 0.03 0.22 -0.08 0.00 -2.34 0.00 0.00 174.74 172.58 3n1f s SER 189 N -0.06 0.13 0.10 0.00 1.04 0.15 -0.74 113.70 114.32 3n1f s SER 189 Ca 0.01 -1.33 0.04 0.00 0.48 0.00 0.00 55.95 55.15 3n1f s SER 189 Cb -0.05 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3n1f s SER 189 CO -0.00 -0.87 -0.10 0.68 0.98 0.00 0.00 173.24 173.93 3n1f s VAL 190 N -4.14 0.95 0.89 5.02 -7.23 -0.12 -1.33 120.40 114.43 3n1f s VAL 190 Ca 0.37 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 3n1f s VAL 190 Cb 0.06 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.77 3n1f s VAL 190 CO 0.11 -0.55 1.09 0.29 -0.31 0.00 0.00 175.10 175.74 3n1f n LYS 191 N 0.58 -0.27 -1.74 4.82 5.02 -1.24 -4.83 118.16 120.51 3n1f n LYS 191 Ca -0.16 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.80 3n1f n LYS 191 Cb 0.58 -2.34 0.04 0.00 -0.02 0.00 0.00 35.03 33.28 3n1f n LYS 191 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3n1f s SER 192 N -2.43 5.45 0.00 4.39 1.04 -1.26 -4.89 113.70 116.00 3n1f s SER 192 Ca 0.68 1.73 0.09 0.00 0.48 0.00 0.00 55.95 58.93 3n1f s SER 192 Cb -0.25 -2.51 0.55 0.00 0.10 0.00 0.00 66.02 63.91 3n1f s SER 192 CO 0.57 -1.40 1.00 -0.62 0.98 0.00 0.00 173.24 173.77