#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3n s PRO 2 N 0.00 2.90 0.18 1.61 0.04 -1.26 -4.23 135.00 134.24 1n3n s PRO 2 Ca 0.00 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 1n3n s PRO 2 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1n3n s PRO 2 CO 0.00 -0.99 0.14 -1.01 0.04 0.00 0.00 177.00 175.18 1n3n s HIS 3 N -3.33 0.96 0.27 0.56 3.76 -0.88 -4.97 115.29 111.66 1n3n s HIS 3 Ca 0.58 -1.25 -0.21 0.00 -0.15 0.00 0.00 55.06 54.03 1n3n s HIS 3 Cb -0.11 -0.45 0.02 0.00 1.11 0.00 0.00 32.58 33.15 1n3n s HIS 3 CO 0.52 -0.63 0.73 -1.54 -0.85 0.00 0.00 174.74 172.97 1n3n s SER 4 N -3.10 -0.26 -0.19 1.40 1.04 -1.26 -0.43 113.70 110.90 1n3n s SER 4 Ca 0.32 -0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.06 1n3n s SER 4 Cb 0.06 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.97 1n3n s SER 4 CO 0.08 -1.32 0.44 -0.32 0.98 0.00 0.00 173.24 173.09 1n3n s MET 5 N -3.88 0.41 0.08 4.02 1.75 -0.94 0.02 119.30 120.75 1n3n s MET 5 Ca 0.11 0.89 0.03 0.00 -1.25 0.00 0.00 55.69 55.47 1n3n s MET 5 Cb -0.06 0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.65 1n3n s MET 5 CO 0.07 -0.18 -0.08 1.03 -0.65 0.00 0.00 175.02 175.20 1n3n s ARG 6 N 1.70 0.77 -0.31 4.11 1.81 -0.42 -1.09 118.95 125.53 1n3n s ARG 6 Ca -0.08 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 52.82 1n3n s ARG 6 Cb -0.09 -0.37 0.09 0.00 -0.45 0.00 0.00 34.95 34.13 1n3n s ARG 6 CO -0.13 0.04 0.06 0.71 -0.68 0.00 0.00 175.30 175.30 1n3n s TYR 7 N -2.58 2.43 -0.30 -0.53 1.51 0.15 -0.37 117.35 117.66 1n3n s TYR 7 Ca 0.04 -2.12 -0.25 0.00 -1.01 0.00 0.00 57.07 53.73 1n3n s TYR 7 Cb -0.02 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 1n3n s TYR 7 CO -0.01 -0.88 0.88 -0.06 -1.11 0.00 0.00 175.55 174.36 1n3n s PHE 8 N 1.37 3.20 -0.12 2.71 0.40 0.57 -2.73 117.98 123.38 1n3n s PHE 8 Ca 0.08 0.97 0.03 0.00 -0.60 0.00 0.00 56.93 57.41 1n3n s PHE 8 Cb -0.18 -3.33 0.00 0.00 0.51 0.00 0.00 43.02 40.02 1n3n s PHE 8 CO -0.17 -0.60 -0.22 -1.21 0.70 0.00 0.00 175.22 173.72 1n3n s GLU 9 N 3.14 3.07 0.03 0.44 2.02 0.14 -1.32 118.70 126.22 1n3n s GLU 9 Ca 0.36 -0.85 0.09 0.00 0.02 0.00 0.00 54.97 54.59 1n3n s GLU 9 Cb -0.14 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1n3n s GLU 9 CO 0.12 0.10 -0.25 0.99 0.02 0.00 0.00 175.26 176.24 1n3n s THR 10 N 0.54 2.05 -0.14 3.63 2.01 0.08 -0.06 115.64 123.75 1n3n s THR 10 Ca -0.13 -1.28 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 1n3n s THR 10 Cb -0.17 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.64 1n3n s THR 10 CO 0.04 0.40 -0.01 0.00 -0.69 0.00 0.00 174.62 174.37 1n3n s ALA 11 N -0.74 1.05 -0.17 7.40 0.00 -0.05 -0.09 121.76 129.16 1n3n s ALA 11 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1n3n s ALA 11 Cb -0.10 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1n3n s ALA 11 CO 0.01 -0.78 -0.15 0.54 0.00 0.00 0.00 175.76 175.38 1n3n s VAL 12 N 1.83 1.75 -0.07 0.00 0.11 0.44 -0.77 120.40 123.69 1n3n s VAL 12 Ca 0.02 -0.85 -0.17 0.00 -2.93 0.00 0.00 61.98 58.05 1n3n s VAL 12 Cb -0.15 -1.67 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 1n3n s VAL 12 CO -0.07 0.39 0.45 -0.94 -3.33 0.00 0.00 175.10 171.60 1n3n s SER 13 N 1.39 6.73 0.16 3.54 1.04 -0.06 -1.95 113.70 124.55 1n3n s SER 13 Ca 0.03 0.87 0.06 0.00 0.48 0.00 0.00 55.95 57.39 1n3n s SER 13 Cb -0.14 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1n3n s SER 13 CO -0.11 0.13 0.05 -0.13 0.98 0.00 0.00 173.24 174.17 1n3n s ARG 14 N -0.07 2.61 0.50 4.02 1.81 -1.26 -0.72 118.95 125.85 1n3n s ARG 14 Ca 0.25 -0.98 -0.19 0.00 -1.72 0.00 0.00 55.73 53.09 1n3n s ARG 14 Cb -0.16 -2.49 -0.08 0.00 -0.45 0.00 0.00 34.95 31.77 1n3n s ARG 14 CO 0.11 0.48 1.02 -1.25 -0.68 0.00 0.00 175.30 174.99 1n3n s PRO 15 N -2.91 3.77 -0.84 3.54 0.04 -1.21 -3.93 135.00 133.46 1n3n s PRO 15 Ca 0.29 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1n3n s PRO 15 Cb -0.10 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1n3n s PRO 15 CO 0.20 -0.44 0.72 0.41 0.04 0.00 0.00 177.00 177.93 1n3n n GLY 16 N -0.61 -1.22 0.00 0.56 0.00 -1.26 -4.98 105.19 97.67 1n3n n GLY 16 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1n3n n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n3n n LEU 17 N -2.38 0.00 -5.00 0.99 7.94 -1.25 -5.18 117.00 112.11 1n3n n LEU 17 Ca -0.08 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.64 1n3n n LEU 17 Cb 0.56 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.52 1n3n n LEU 17 CO 0.57 0.00 0.16 -0.70 -1.11 0.00 0.00 177.39 176.31 1n3n s GLU 18 N 0.00 2.85 -0.23 1.96 2.56 -1.26 -4.56 118.70 120.01 1n3n s GLU 18 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 54.97 53.73 1n3n s GLU 18 Cb 0.00 -2.74 0.03 0.00 2.00 0.00 0.00 34.13 33.42 1n3n s GLU 18 CO 0.00 -0.26 0.17 0.39 -0.56 0.00 0.00 175.26 174.99 1n3n n GLU 19 N -1.87 -4.27 -0.78 4.30 -0.58 -1.26 -4.97 120.64 111.21 1n3n n GLU 19 Ca 0.07 3.26 -0.31 0.00 -0.42 0.00 0.00 57.16 59.76 1n3n n GLU 19 Cb 0.59 -5.22 0.16 0.00 -0.57 0.00 0.00 31.44 26.40 1n3n n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1n3n s PRO 20 N -1.01 1.08 -0.06 3.49 0.04 -1.26 -4.96 135.00 132.31 1n3n s PRO 20 Ca -0.19 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 1n3n s PRO 20 Cb 0.01 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1n3n s PRO 20 CO 0.80 -2.55 0.57 0.50 0.04 0.00 0.00 177.00 176.36 1n3n s ARG 21 N -4.68 4.34 -0.10 4.56 3.52 -0.82 -4.85 118.95 120.91 1n3n s ARG 21 Ca 0.66 0.66 -0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1n3n s ARG 21 Cb -0.22 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1n3n s ARG 21 CO 0.58 0.22 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.74 1n3n s TYR 22 N 0.33 2.90 0.01 5.12 5.04 -1.26 -0.42 117.35 129.08 1n3n s TYR 22 Ca 0.31 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 1n3n s TYR 22 Cb -0.17 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 1n3n s TYR 22 CO 0.15 0.09 -0.03 0.42 -1.34 0.00 0.00 175.55 174.83 1n3n s ILE 23 N -0.22 0.21 -0.05 3.14 1.01 0.87 -0.94 121.20 125.23 1n3n s ILE 23 Ca 0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1n3n s ILE 23 Cb -0.13 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1n3n s ILE 23 CO 0.03 -0.22 0.08 -0.55 0.00 0.00 0.00 174.94 174.28 1n3n s SER 24 N -0.81 0.98 -0.07 3.58 0.15 -0.06 -0.74 113.70 116.72 1n3n s SER 24 Ca -0.07 0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.78 1n3n s SER 24 Cb -0.06 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1n3n s SER 24 CO -0.00 -0.24 -0.24 -0.69 1.20 0.00 0.00 173.24 173.27 1n3n s VAL 25 N 2.14 2.00 0.13 4.45 1.01 -0.43 -0.78 120.40 128.93 1n3n s VAL 25 Ca 0.04 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.09 1n3n s VAL 25 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1n3n s VAL 25 CO -0.04 0.55 -0.16 -0.83 0.00 0.00 0.00 175.10 174.63 1n3n s GLY 26 N 0.07 1.71 0.04 4.51 0.00 -0.66 -0.32 107.32 112.67 1n3n s GLY 26 Ca -0.10 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.25 1n3n s GLY 26 CO 0.06 -1.38 -0.07 -0.19 0.00 0.00 0.00 173.10 171.52 1n3n s TYR 27 N -1.30 0.61 -0.16 1.90 1.51 0.50 -2.01 117.35 118.40 1n3n s TYR 27 Ca 0.20 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1n3n s TYR 27 Cb -0.10 -0.37 0.03 0.00 -0.11 0.00 0.00 41.96 41.41 1n3n s TYR 27 CO 0.11 -0.11 -0.09 0.14 -1.11 0.00 0.00 175.55 174.50 1n3n s VAL 28 N -1.51 1.34 -1.13 0.71 -7.23 -0.88 -1.30 120.40 110.39 1n3n s VAL 28 Ca -0.10 -0.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1n3n s VAL 28 Cb -0.09 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1n3n s VAL 28 CO -0.00 0.25 0.98 0.47 -0.31 0.00 0.00 175.10 176.49 1n3n n ASP 29 N 4.81 -4.74 -3.36 4.85 8.00 0.10 -2.69 116.55 123.53 1n3n n ASP 29 Ca -0.14 -0.49 -0.24 0.00 0.71 0.00 0.00 54.79 54.64 1n3n n ASP 29 Cb 0.48 -4.44 0.01 0.00 -0.02 0.00 0.00 41.12 37.15 1n3n n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1n3n n ASN 30 N -2.52 -4.37 -4.00 -2.24 4.13 -1.26 -4.96 115.26 100.03 1n3n n ASN 30 Ca -0.06 -0.42 -0.30 0.00 1.68 0.00 0.00 54.58 55.48 1n3n n ASN 30 Cb 0.58 -3.57 -0.16 0.00 -1.54 0.00 0.00 39.78 35.08 1n3n n ASN 30 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1n3n s LYS 31 N -6.02 2.14 0.21 3.52 2.36 -1.10 -5.05 119.74 115.80 1n3n s LYS 31 Ca 0.41 -0.64 -0.32 0.00 -2.55 0.00 0.00 55.97 52.87 1n3n s LYS 31 Cb -0.21 -2.18 -0.14 0.00 -1.05 0.00 0.00 37.83 34.25 1n3n s LYS 31 CO 0.51 -0.31 1.38 -1.91 1.55 0.00 0.00 175.35 176.57 1n3n n GLU 32 N 4.76 1.82 0.00 4.03 2.13 -1.26 -2.06 120.64 130.05 1n3n n GLU 32 Ca -0.16 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1n3n n GLU 32 Cb 0.49 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.91 1n3n n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1n3n n PHE 33 N 2.08 0.00 -3.66 4.31 -1.74 -0.85 -4.71 117.46 112.88 1n3n n PHE 33 Ca 0.13 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.88 1n3n n PHE 33 Cb 0.29 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.21 1n3n n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1n3n s VAL 34 N -0.04 0.00 -0.03 1.97 -7.23 -1.23 -1.51 120.40 112.33 1n3n s VAL 34 Ca 0.00 -0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 1n3n s VAL 34 Cb 0.00 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1n3n s VAL 34 CO 0.00 -0.01 0.12 -0.60 -0.31 0.00 0.00 175.10 174.30 1n3n s ARG 35 N 0.08 0.25 -0.02 4.82 3.52 -0.71 -1.65 118.95 125.24 1n3n s ARG 35 Ca -0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1n3n s ARG 35 Cb -0.04 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 1n3n s ARG 35 CO 0.02 -0.05 -0.06 0.12 -0.81 0.00 0.00 175.30 174.52 1n3n s PHE 36 N -0.42 0.67 -0.18 5.12 2.19 0.04 -0.41 117.98 124.98 1n3n s PHE 36 Ca -0.05 -0.15 -0.03 0.00 0.33 0.00 0.00 56.93 57.03 1n3n s PHE 36 Cb -0.03 -0.50 0.06 0.00 -1.31 0.00 0.00 43.02 41.23 1n3n s PHE 36 CO 0.00 -0.08 0.05 0.34 1.83 0.00 0.00 175.22 177.36 1n3n s ASP 37 N 0.28 2.75 0.17 6.13 -1.08 -1.26 -0.88 116.67 122.77 1n3n s ASP 37 Ca -0.03 -0.75 0.10 0.00 -0.52 0.00 0.00 52.55 51.34 1n3n s ASP 37 Cb -0.08 -0.52 0.53 0.00 -1.46 0.00 0.00 42.92 41.39 1n3n s ASP 37 CO -0.00 -0.31 1.25 -1.54 0.52 0.00 0.00 175.17 175.09 1n3n n SER 38 N 5.10 0.25 -0.24 -0.34 3.41 -0.11 -0.97 113.62 120.72 1n3n n SER 38 Ca -0.08 0.57 0.15 0.00 -0.26 0.00 0.00 58.87 59.25 1n3n n SER 38 Cb 0.48 -0.59 0.70 0.00 -0.26 0.00 0.00 64.21 64.53 1n3n n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1n3n n ASP 39 N -1.83 0.77 -4.81 4.04 9.92 -1.26 -4.82 116.55 118.56 1n3n n ASP 39 Ca -0.01 -1.17 -0.29 0.00 -0.53 0.00 0.00 54.79 52.79 1n3n n ASP 39 Cb 0.09 -0.01 0.11 0.00 -0.64 0.00 0.00 41.12 40.67 1n3n n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n3n s ALA 40 N -2.07 2.12 0.05 2.24 0.00 -0.14 -4.95 121.76 119.01 1n3n s ALA 40 Ca 0.40 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 1n3n s ALA 40 Cb 0.21 -3.06 -0.17 0.00 0.00 0.00 0.00 23.12 20.10 1n3n s ALA 40 CO 0.37 -1.92 1.56 0.93 0.00 0.00 0.00 175.76 176.70 1n3n h GLU 41 N -1.23 -0.09 -3.44 0.00 3.07 -1.90 -3.35 114.58 107.64 1n3n h GLU 41 Ca -0.48 0.01 -0.63 0.00 -0.50 0.00 0.00 59.36 57.75 1n3n h GLU 41 Cb 1.30 0.02 -0.41 0.00 -0.84 0.00 0.00 28.75 28.82 1n3n h GLU 41 CO 0.61 0.09 -0.67 1.21 -1.40 0.00 0.00 179.01 178.86 1n3n s ASN 42 N -5.27 4.21 0.09 1.42 3.04 -1.26 -5.09 114.94 112.07 1n3n s ASN 42 Ca -0.14 -2.80 -0.34 0.00 0.04 0.00 0.00 52.86 49.62 1n3n s ASN 42 Cb 0.04 -1.48 -0.14 0.00 -1.54 0.00 0.00 41.25 38.13 1n3n s ASN 42 CO 0.65 -0.26 1.62 -2.65 -3.04 0.00 0.00 177.10 173.42 1n3n n PRO 43 N 3.38 2.02 0.00 0.43 -0.02 -1.26 -4.95 135.00 134.60 1n3n n PRO 43 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1n3n n PRO 43 Cb 0.34 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1n3n n PRO 43 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1n3n n ARG 44 N 4.01 0.00 -1.67 -0.52 1.85 -1.26 -5.05 116.66 114.03 1n3n n ARG 44 Ca 0.18 0.00 -0.64 0.00 -1.00 0.00 0.00 57.85 56.40 1n3n n ARG 44 Cb 0.27 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.59 1n3n n ARG 44 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n3n n TYR 45 N 0.00 1.44 -4.22 2.89 4.02 -1.26 -4.78 117.16 115.25 1n3n n TYR 45 Ca 0.00 1.05 -0.32 0.00 -0.01 0.00 0.00 57.90 58.63 1n3n n TYR 45 Cb 0.00 -2.21 -0.08 0.00 -0.02 0.00 0.00 39.34 37.03 1n3n n TYR 45 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1n3n s GLU 46 N 2.04 2.70 0.54 -0.72 0.41 0.45 -4.88 118.70 119.23 1n3n s GLU 46 Ca 0.99 -0.70 -0.19 0.00 -0.41 0.00 0.00 54.97 54.66 1n3n s GLU 46 Cb -1.37 -2.62 -0.06 0.00 -1.78 0.00 0.00 34.13 28.30 1n3n s GLU 46 CO 0.72 0.59 1.11 -1.25 -0.49 0.00 0.00 175.26 175.94 1n3n s PRO 47 N -1.88 3.41 -0.31 0.39 0.04 -1.26 -1.74 135.00 133.66 1n3n s PRO 47 Ca 0.22 1.54 0.17 0.00 0.04 0.00 0.00 61.00 62.97 1n3n s PRO 47 Cb -0.12 -2.02 0.47 0.00 0.04 0.00 0.00 34.50 32.88 1n3n s PRO 47 CO 0.14 -0.78 1.06 0.54 0.04 0.00 0.00 177.00 177.99 1n3n n ARG 48 N -1.31 1.93 -3.65 4.56 1.74 -0.57 -4.83 116.66 114.54 1n3n n ARG 48 Ca 0.11 -3.61 -0.03 0.00 -0.77 0.00 0.00 57.85 53.55 1n3n n ARG 48 Cb 0.51 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 1n3n n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n3n s ALA 49 N -3.49 -2.24 0.17 7.54 0.00 -1.26 -4.45 121.76 118.04 1n3n s ALA 49 Ca 0.32 1.77 -0.28 0.00 0.00 0.00 0.00 51.96 53.77 1n3n s ALA 49 Cb 0.39 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1n3n s ALA 49 CO -0.02 -0.16 1.55 -1.00 0.00 0.00 0.00 175.76 176.14 1n3n h PRO 50 N 3.67 -0.12 -0.02 0.00 0.13 -1.98 -2.69 132.00 130.99 1n3n h PRO 50 Ca -0.27 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.88 1n3n h PRO 50 Cb 1.19 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1n3n h PRO 50 CO 0.17 -0.08 -0.43 0.11 -0.23 0.00 0.00 178.00 177.55 1n3n h TRP 51 N -0.13 -1.26 0.00 1.56 5.08 -1.97 -0.16 115.95 119.07 1n3n h TRP 51 Ca 0.18 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.19 1n3n h TRP 51 Cb 0.51 0.55 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1n3n h TRP 51 CO -0.87 -0.45 0.38 -0.12 -1.28 0.00 0.00 178.44 176.09 1n3n n MET 52 N -4.84 0.00 0.02 0.12 1.56 -1.02 -0.77 117.12 112.19 1n3n n MET 52 Ca -0.06 0.15 0.09 0.00 -0.27 0.00 0.00 57.70 57.62 1n3n n MET 52 Cb 0.31 -1.89 0.40 0.00 2.15 0.00 0.00 33.22 34.19 1n3n n MET 52 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1n3n n GLU 53 N -1.17 0.04 -0.78 2.12 1.02 -0.07 -3.29 120.64 118.50 1n3n n GLU 53 Ca -0.00 0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 1n3n n GLU 53 Cb 0.38 -1.57 0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1n3n n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n3n n GLN 54 N -1.64 1.74 -0.10 3.49 10.64 0.05 -4.51 117.38 127.04 1n3n n GLN 54 Ca 0.04 -1.55 -0.22 0.00 -1.83 0.00 0.00 57.00 53.44 1n3n n GLN 54 Cb 0.22 -1.61 -0.12 0.00 -0.86 0.00 0.00 30.24 27.87 1n3n n GLN 54 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1n3n n GLU 55 N 0.06 0.65 0.00 2.61 -0.58 -1.21 -5.13 120.64 117.05 1n3n n GLU 55 Ca 0.30 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1n3n n GLU 55 Cb 0.78 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1n3n n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n3n n GLY 56 N 1.87 0.66 0.31 0.62 0.00 -1.26 -4.63 105.19 102.75 1n3n n GLY 56 Ca -0.44 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.16 1n3n n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n3n h PRO 57 N 0.00 0.06 -0.83 1.61 0.13 -1.99 -0.54 132.00 130.45 1n3n h PRO 57 Ca 0.00 -0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.33 1n3n h PRO 57 Cb 0.00 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 30.98 1n3n h PRO 57 CO 0.00 0.04 0.16 1.05 -0.23 0.00 0.00 178.00 179.02 1n3n h GLU 58 N 0.06 0.19 0.05 0.86 9.09 -1.99 0.35 114.58 123.19 1n3n h GLU 58 Ca 0.48 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.87 1n3n h GLU 58 Cb 0.88 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 1n3n h GLU 58 CO -0.79 0.12 -0.03 -0.92 0.05 0.00 0.00 179.01 177.45 1n3n h TYR 59 N 0.19 -0.06 -0.82 2.06 5.03 -1.36 -2.21 116.97 119.80 1n3n h TYR 59 Ca 0.49 -0.00 0.20 0.00 2.58 0.00 0.00 58.73 62.01 1n3n h TYR 59 Cb 0.94 0.02 -0.13 0.00 1.55 0.00 0.00 36.73 39.11 1n3n h TYR 59 CO -0.31 -0.04 0.17 -1.49 -1.32 0.00 0.00 178.16 175.17 1n3n h TRP 60 N -0.08 0.25 0.27 -3.82 4.06 -1.30 0.15 115.95 115.48 1n3n h TRP 60 Ca -0.01 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1n3n h TRP 60 Cb 0.05 0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 1n3n h TRP 60 CO 0.20 -0.19 -0.47 1.49 -3.56 0.00 0.00 178.44 175.91 1n3n h GLU 61 N 0.20 -0.76 -0.79 0.49 4.57 -0.35 0.76 114.58 118.70 1n3n h GLU 61 Ca 0.49 0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.90 1n3n h GLU 61 Cb 0.94 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 29.58 1n3n h GLU 61 CO -0.63 -0.51 0.23 -0.09 -1.18 0.00 0.00 179.01 176.84 1n3n h ARG 62 N -0.79 0.29 0.21 1.92 2.43 -0.18 0.13 114.38 118.40 1n3n h ARG 62 Ca -0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1n3n h ARG 62 Cb 0.73 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1n3n h ARG 62 CO -0.17 0.19 -0.10 0.93 -1.51 0.00 0.00 179.97 179.31 1n3n h GLU 63 N 0.30 -0.27 -0.64 0.20 4.39 -0.13 -2.63 114.58 115.79 1n3n h GLU 63 Ca 0.46 0.02 0.18 0.00 0.34 0.00 0.00 59.36 60.36 1n3n h GLU 63 Cb 0.82 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1n3n h GLU 63 CO -0.53 0.06 0.47 1.15 -1.16 0.00 0.00 179.01 178.99 1n3n h THR 64 N -0.64 0.65 0.26 1.13 2.02 0.18 0.15 112.91 116.66 1n3n h THR 64 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1n3n h THR 64 Cb 0.46 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1n3n h THR 64 CO 0.05 0.00 -0.13 1.56 0.37 0.00 0.00 175.52 177.37 1n3n h GLN 65 N 0.00 -0.34 -0.51 6.66 1.08 -0.49 -1.19 115.11 120.33 1n3n h GLN 65 Ca 0.30 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.60 1n3n h GLN 65 Cb 1.23 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.67 1n3n h GLN 65 CO -0.00 -0.11 0.14 0.87 -0.95 0.00 0.00 178.83 178.78 1n3n h LYS 66 N -0.52 0.29 -0.39 1.46 1.57 -0.44 -0.34 116.57 118.19 1n3n h LYS 66 Ca -0.04 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1n3n h LYS 66 Cb 0.39 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1n3n h LYS 66 CO 0.06 0.19 0.04 0.00 -0.57 0.00 0.00 179.45 179.17 1n3n h ALA 67 N 1.37 0.39 -0.40 3.86 0.00 -0.93 0.45 119.26 124.00 1n3n h ALA 67 Ca 0.25 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.37 1n3n h ALA 67 Cb 0.31 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1n3n h ALA 67 CO -0.29 -0.36 0.32 0.87 0.00 0.00 0.00 179.25 179.79 1n3n h LYS 68 N 0.16 0.00 -0.05 0.00 1.79 0.15 -0.73 116.57 117.88 1n3n h LYS 68 Ca 0.19 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.47 1n3n h LYS 68 Cb 0.25 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1n3n h LYS 68 CO -0.28 0.00 -0.72 0.78 -1.08 0.00 0.00 179.45 178.15 1n3n h GLY 69 N 0.00 0.64 0.93 3.86 0.00 0.13 -3.14 103.07 105.50 1n3n h GLY 69 Ca 0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 1n3n h GLY 69 CO -0.00 0.91 -0.28 1.46 0.00 0.00 0.00 176.54 178.63 1n3n h GLN 70 N 0.18 -0.75 -0.87 4.80 1.08 0.41 -2.63 115.11 117.33 1n3n h GLN 70 Ca -0.08 0.05 0.19 0.00 -1.45 0.00 0.00 58.65 57.37 1n3n h GLN 70 Cb 1.39 0.17 -0.16 0.00 -0.05 0.00 0.00 27.48 28.83 1n3n h GLN 70 CO 0.14 -0.47 -0.16 -1.91 -0.95 0.00 0.00 178.83 175.49 1n3n n GLU 71 N -5.40 -0.08 -0.25 1.46 2.13 -0.41 0.98 120.64 119.08 1n3n n GLU 71 Ca -0.12 1.35 -0.06 0.00 0.66 0.00 0.00 57.16 58.98 1n3n n GLU 71 Cb 0.33 -2.04 0.08 0.00 0.27 0.00 0.00 31.44 30.08 1n3n n GLU 71 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1n3n h GLN 72 N 0.00 1.12 0.29 5.31 1.08 -1.42 0.35 115.11 121.83 1n3n h GLN 72 Ca 0.45 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1n3n h GLN 72 Cb 0.75 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1n3n h GLN 72 CO -0.88 0.95 -0.15 2.35 -0.95 0.00 0.00 178.83 180.15 1n3n h TRP 73 N 1.07 -0.39 0.14 2.96 7.01 0.92 -1.93 115.95 125.73 1n3n h TRP 73 Ca 0.23 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1n3n h TRP 73 Cb 0.31 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1n3n h TRP 73 CO 0.02 -0.24 -0.09 0.74 -2.79 0.00 0.00 178.44 176.09 1n3n h PHE 74 N -0.41 -0.22 -0.99 2.65 -1.00 -0.95 0.14 116.94 116.16 1n3n h PHE 74 Ca -0.04 -0.00 0.35 0.00 2.81 0.00 0.00 57.97 61.09 1n3n h PHE 74 Cb 0.32 0.08 -0.16 0.00 3.61 0.00 0.00 35.95 39.80 1n3n h PHE 74 CO -0.07 -0.14 0.50 -0.09 -1.61 0.00 0.00 178.31 176.91 1n3n h ARG 75 N -0.22 0.17 0.09 1.51 2.43 -0.76 0.28 114.38 117.88 1n3n h ARG 75 Ca -0.01 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 1n3n h ARG 75 Cb 0.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1n3n h ARG 75 CO 0.02 0.11 -1.84 0.28 -1.51 0.00 0.00 179.97 177.02 1n3n h VAL 76 N 0.17 0.77 -0.72 0.20 2.07 -0.82 -3.20 116.25 114.72 1n3n h VAL 76 Ca 0.76 -2.51 0.04 0.00 0.82 0.00 0.00 66.70 65.80 1n3n h VAL 76 Cb 1.83 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 34.08 1n3n h VAL 76 CO -0.69 0.78 0.44 0.28 0.02 0.00 0.00 177.57 178.40 1n3n h SER 77 N 0.05 0.72 -0.51 0.57 0.02 0.52 -1.04 113.55 113.88 1n3n h SER 77 Ca -0.36 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1n3n h SER 77 Cb 2.03 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 64.35 1n3n h SER 77 CO 0.10 0.49 0.07 0.25 -1.14 0.00 0.00 176.83 176.60 1n3n h LEU 78 N 0.85 -0.07 -0.50 5.07 5.85 -0.61 0.20 115.31 126.11 1n3n h LEU 78 Ca 0.30 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1n3n h LEU 78 Cb 0.06 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1n3n h LEU 78 CO -0.13 -0.01 0.33 0.03 -0.34 0.00 0.00 178.44 178.32 1n3n h ARG 79 N 0.20 0.65 0.08 1.25 3.08 -1.28 -1.24 114.38 117.13 1n3n h ARG 79 Ca 0.26 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1n3n h ARG 79 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1n3n h ARG 79 CO -0.37 0.44 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.02 1n3n h ASN 80 N 0.67 -0.09 -0.66 7.04 4.21 -0.00 -2.83 115.58 123.91 1n3n h ASN 80 Ca 0.18 -0.10 0.14 0.00 1.21 0.00 0.00 56.30 57.72 1n3n h ASN 80 Cb -0.07 0.02 -0.12 0.00 -1.12 0.00 0.00 38.32 37.03 1n3n h ASN 80 CO -0.04 0.04 -0.14 -0.07 -1.29 0.00 0.00 177.43 175.94 1n3n h LEU 81 N -0.23 -0.56 -0.97 1.61 3.38 -0.48 0.43 115.31 118.49 1n3n h LEU 81 Ca -0.01 0.19 0.26 0.00 0.09 0.00 0.00 57.88 58.42 1n3n h LEU 81 Cb 0.19 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.20 1n3n h LEU 81 CO 0.02 -0.21 0.51 0.25 0.09 0.00 0.00 178.44 179.10 1n3n h LEU 82 N 0.02 0.49 -0.02 1.67 5.85 -0.99 0.87 115.31 123.20 1n3n h LEU 82 Ca 0.33 0.16 -0.26 0.00 0.84 0.00 0.00 57.88 58.95 1n3n h LEU 82 Cb 0.51 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.66 1n3n h LEU 82 CO -0.67 -0.02 -1.10 1.23 -0.34 0.00 0.00 178.44 177.55 1n3n h GLY 83 N 0.43 0.48 0.93 3.75 0.00 -0.04 -2.34 103.07 106.28 1n3n h GLY 83 Ca 0.65 -0.96 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1n3n h GLY 83 CO -0.55 0.85 0.32 -0.97 0.00 0.00 0.00 176.54 176.19 1n3n h TYR 84 N 0.20 0.60 -0.38 5.60 0.05 0.67 -1.67 116.97 122.04 1n3n h TYR 84 Ca -0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1n3n h TYR 84 Cb 1.77 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 39.31 1n3n h TYR 84 CO 0.07 0.36 0.00 0.66 -1.05 0.00 0.00 178.16 178.20 1n3n n TYR 85 N -4.77 0.65 -2.53 4.88 4.01 -0.46 -4.88 117.16 114.06 1n3n n TYR 85 Ca 0.03 -0.29 -0.16 0.00 -0.16 0.00 0.00 57.90 57.32 1n3n n TYR 85 Cb 0.05 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1n3n n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1n3n n ASN 86 N 0.59 -4.60 -4.69 7.72 4.05 -0.63 -4.89 115.26 112.81 1n3n n ASN 86 Ca 0.14 0.07 -0.42 0.00 0.45 0.00 0.00 54.58 54.81 1n3n n ASN 86 Cb 0.42 -3.86 -0.03 0.00 1.23 0.00 0.00 39.78 37.54 1n3n n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1n3n s GLN 87 N -5.14 4.44 1.06 1.20 -0.21 -0.89 -5.02 119.66 115.10 1n3n s GLN 87 Ca 0.05 1.37 -0.16 0.00 0.02 0.00 0.00 55.36 56.63 1n3n s GLN 87 Cb -0.02 -3.53 0.22 0.00 1.00 0.00 0.00 33.01 30.69 1n3n s GLN 87 CO 0.06 -0.25 1.15 -1.12 -2.12 0.00 0.00 175.29 173.00 1n3n s SER 88 N 1.08 2.15 0.61 5.90 0.01 -1.26 -4.77 113.70 117.42 1n3n s SER 88 Ca 0.48 0.72 -0.13 0.00 1.31 0.00 0.00 55.95 58.34 1n3n s SER 88 Cb -0.19 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 1n3n s SER 88 CO 0.20 -3.37 1.03 0.00 0.41 0.00 0.00 173.24 171.51 1n3n s ALA 89 N -3.22 2.94 0.00 1.44 0.00 -1.26 -4.31 121.76 117.34 1n3n s ALA 89 Ca 0.69 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1n3n s ALA 89 Cb -0.11 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1n3n s ALA 89 CO 0.55 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1n3n n GLY 90 N -2.07 0.77 3.99 0.00 0.00 -1.26 -5.10 105.19 101.52 1n3n n GLY 90 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1n3n n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n3n n GLY 91 N -0.94 2.23 3.52 -0.02 0.00 -1.26 -4.73 105.19 103.98 1n3n n GLY 91 Ca 0.00 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 1n3n n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n3n s SER 92 N -4.58 4.46 0.06 1.61 0.15 -1.26 -3.35 113.70 110.79 1n3n s SER 92 Ca 0.52 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1n3n s SER 92 Cb -0.04 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1n3n s SER 92 CO 0.33 0.30 -0.04 -1.00 1.20 0.00 0.00 173.24 174.03 1n3n s HIS 93 N -0.45 0.63 -0.03 3.44 4.02 0.10 -4.99 115.29 118.00 1n3n s HIS 93 Ca 0.06 -0.97 0.01 0.00 1.02 0.00 0.00 55.06 55.18 1n3n s HIS 93 Cb -0.12 -0.42 0.02 0.00 -1.02 0.00 0.00 32.58 31.04 1n3n s HIS 93 CO 0.02 -0.29 -0.05 0.99 1.02 0.00 0.00 174.74 176.44 1n3n s THR 94 N -3.61 0.50 -0.18 1.30 2.01 -1.26 -0.88 115.64 113.51 1n3n s THR 94 Ca 0.07 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1n3n s THR 94 Cb 0.06 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1n3n s THR 94 CO -0.08 0.20 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.63 1n3n s LEU 95 N 0.67 2.12 -0.01 4.42 0.20 0.05 -1.29 118.68 124.84 1n3n s LEU 95 Ca -0.09 -0.64 0.06 0.00 0.69 0.00 0.00 54.13 54.15 1n3n s LEU 95 Cb -0.12 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1n3n s LEU 95 CO 0.00 0.00 -0.20 -1.10 -0.29 0.00 0.00 176.35 174.76 1n3n s GLN 96 N 1.27 2.22 -0.02 1.98 -0.21 0.15 -0.87 119.66 124.17 1n3n s GLN 96 Ca 0.04 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.56 1n3n s GLN 96 Cb -0.13 -2.19 0.01 0.00 1.00 0.00 0.00 33.01 31.70 1n3n s GLN 96 CO -0.12 0.58 -0.03 -1.14 -2.12 0.00 0.00 175.29 172.45 1n3n s GLN 97 N -0.88 0.44 -0.10 2.91 0.74 0.91 0.38 119.66 124.05 1n3n s GLN 97 Ca 0.12 -0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.49 1n3n s GLN 97 Cb -0.10 -0.49 0.01 0.00 1.10 0.00 0.00 33.01 33.52 1n3n s GLN 97 CO 0.01 -0.02 -0.20 -1.64 -0.55 0.00 0.00 175.29 172.89 1n3n s MET 98 N 0.49 2.68 0.05 1.67 -1.94 -0.37 0.27 119.30 122.14 1n3n s MET 98 Ca -0.05 -0.75 -0.07 0.00 -1.71 0.00 0.00 55.69 53.11 1n3n s MET 98 Cb -0.09 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 1n3n s MET 98 CO -0.01 0.09 0.14 -1.54 -0.01 0.00 0.00 175.02 173.69 1n3n s SER 99 N 0.56 0.14 0.00 3.03 1.04 -1.10 -1.01 113.70 116.35 1n3n s SER 99 Ca -0.15 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1n3n s SER 99 Cb -0.17 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1n3n s SER 99 CO 0.05 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1n3n n GLY 100 N 0.55 -0.84 3.30 7.32 0.00 -0.24 0.34 105.19 115.61 1n3n n GLY 100 Ca -0.18 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1n3n n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3n s ASP 102 N -1.91 4.22 0.06 0.00 1.01 -0.10 -2.21 116.67 117.73 1n3n s ASP 102 Ca -0.06 -0.30 0.08 0.00 0.71 0.00 0.00 52.55 52.98 1n3n s ASP 102 Cb -0.01 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 1n3n s ASP 102 CO -0.01 0.26 -0.21 -0.76 0.21 0.00 0.00 175.17 174.66 1n3n s LEU 103 N -1.49 2.20 0.00 1.23 1.43 0.43 -0.71 118.68 121.77 1n3n s LEU 103 Ca 0.16 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1n3n s LEU 103 Cb -0.11 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1n3n s LEU 103 CO 0.07 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1n3n n GLY 104 N 1.64 -1.71 0.09 -3.19 0.00 -0.82 -2.08 105.19 99.12 1n3n n GLY 104 Ca -0.18 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.39 1n3n n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n3n n SER 105 N -2.72 0.54 -0.29 1.61 7.64 -1.26 -2.32 113.62 116.83 1n3n n SER 105 Ca 0.00 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.61 1n3n n SER 105 Cb 0.00 -0.73 0.29 0.00 -1.01 0.00 0.00 64.21 62.76 1n3n n SER 105 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1n3n n ASP 106 N -2.07 1.21 0.00 6.43 5.75 -1.26 -4.68 116.55 121.93 1n3n n ASP 106 Ca 0.03 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1n3n n ASP 106 Cb 0.27 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1n3n n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1n3n n TRP 107 N -0.55 0.00 -1.87 2.11 7.02 -0.98 -5.03 117.44 118.14 1n3n n TRP 107 Ca 0.11 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.29 1n3n n TRP 107 Cb 0.37 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.29 1n3n n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1n3n s ARG 108 N -0.03 3.30 0.80 -0.99 0.52 -1.26 -4.74 118.95 116.55 1n3n s ARG 108 Ca 0.00 0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 55.73 1n3n s ARG 108 Cb 0.00 -2.05 0.08 0.00 0.52 0.00 0.00 34.95 33.50 1n3n s ARG 108 CO 0.00 -0.76 1.19 -1.17 0.02 0.00 0.00 175.30 174.58 1n3n s LEU 109 N -5.26 3.13 0.00 2.53 2.96 -1.26 -1.94 118.68 118.84 1n3n s LEU 109 Ca 0.56 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 1n3n s LEU 109 Cb -0.11 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.00 1n3n s LEU 109 CO 0.53 -2.60 0.00 0.18 -1.32 0.00 0.00 176.35 173.14 1n3n n LEU 110 N -3.33 0.08 -3.56 -0.68 4.77 0.11 -4.65 117.00 109.75 1n3n n LEU 110 Ca 0.13 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 1n3n n LEU 110 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1n3n n LEU 110 CO 0.48 0.01 0.72 -0.60 -1.33 0.00 0.00 177.39 176.68 1n3n s ARG 111 N -1.06 0.68 0.15 3.23 3.52 -1.23 -4.98 118.95 119.26 1n3n s ARG 111 Ca 0.00 0.12 0.07 0.00 -0.13 0.00 0.00 55.73 55.79 1n3n s ARG 111 Cb 0.00 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1n3n s ARG 111 CO 0.00 -0.22 -0.01 0.20 -0.81 0.00 0.00 175.30 174.46 1n3n s GLY 112 N -1.25 1.77 -0.04 8.12 0.00 -1.26 -0.93 107.32 113.73 1n3n s GLY 112 Ca -0.02 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.41 1n3n s GLY 112 CO 0.02 -1.31 -0.06 -0.19 0.00 0.00 0.00 173.10 171.56 1n3n s TYR 113 N -1.59 0.83 -0.29 1.90 2.02 0.94 -4.90 117.35 116.26 1n3n s TYR 113 Ca 0.26 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1n3n s TYR 113 Cb -0.10 -0.68 0.17 0.00 -0.40 0.00 0.00 41.96 40.96 1n3n s TYR 113 CO 0.18 -0.16 0.46 -1.17 -1.57 0.00 0.00 175.55 173.29 1n3n s LEU 114 N 0.66 -1.03 0.06 -1.29 1.98 -1.25 -1.08 118.68 116.72 1n3n s LEU 114 Ca -0.10 -0.16 0.03 0.00 -2.89 0.00 0.00 54.13 51.02 1n3n s LEU 114 Cb -0.13 1.40 -0.03 0.00 0.66 0.00 0.00 46.19 48.09 1n3n s LEU 114 CO 0.01 -0.33 -0.10 0.00 -1.89 0.00 0.00 176.35 174.03 1n3n s GLN 115 N 2.63 0.68 0.09 1.98 -2.07 -0.18 -0.05 119.66 122.74 1n3n s GLN 115 Ca 0.10 -0.91 0.09 0.00 -1.82 0.00 0.00 55.36 52.83 1n3n s GLN 115 Cb -0.12 -0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 31.28 1n3n s GLN 115 CO -0.28 0.09 -0.24 -0.06 -1.32 0.00 0.00 175.29 173.48 1n3n s PHE 116 N -1.62 2.09 -0.02 9.60 0.40 0.10 -1.24 117.98 127.30 1n3n s PHE 116 Ca -0.04 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1n3n s PHE 116 Cb -0.08 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.28 1n3n s PHE 116 CO 0.01 0.22 -0.04 0.00 0.70 0.00 0.00 175.22 176.11 1n3n s ALA 117 N -0.99 0.43 -0.16 5.36 0.00 0.16 -0.11 121.76 126.45 1n3n s ALA 117 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1n3n s ALA 117 Cb -0.10 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1n3n s ALA 117 CO 0.04 0.05 -0.21 -0.47 0.00 0.00 0.00 175.76 175.17 1n3n s TYR 118 N 0.28 2.72 -0.65 0.00 5.04 -0.12 0.29 117.35 124.91 1n3n s TYR 118 Ca -0.03 -1.51 0.00 0.00 -2.44 0.00 0.00 57.07 53.09 1n3n s TYR 118 Cb -0.06 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.38 1n3n s TYR 118 CO -0.00 -0.72 0.00 0.39 -1.34 0.00 0.00 175.55 173.87 1n3n n GLU 119 N 4.38 -0.62 0.00 4.97 -0.58 -0.41 -2.09 120.64 126.28 1n3n n GLU 119 Ca -0.21 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1n3n n GLU 119 Cb 0.51 -4.42 0.00 0.00 -0.57 0.00 0.00 31.44 26.96 1n3n n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n3n n GLY 120 N -1.84 2.09 3.90 0.62 0.00 -1.26 -4.98 105.19 103.72 1n3n n GLY 120 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1n3n n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n3n s ARG 121 N -0.75 3.62 0.31 1.61 0.52 -0.89 -5.02 118.95 118.36 1n3n s ARG 121 Ca 0.00 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1n3n s ARG 121 Cb 0.00 -2.82 -0.12 0.00 0.52 0.00 0.00 34.95 32.53 1n3n s ARG 121 CO 0.00 0.43 1.39 -0.25 0.02 0.00 0.00 175.30 176.89 1n3n n ASP 122 N -0.08 3.05 0.03 0.23 9.92 -1.26 -0.95 116.55 127.48 1n3n n ASP 122 Ca -0.02 1.18 -0.01 0.00 -0.53 0.00 0.00 54.79 55.41 1n3n n ASP 122 Cb 0.52 -1.50 -0.00 0.00 -0.64 0.00 0.00 41.12 39.49 1n3n n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n3n n TYR 123 N 1.02 0.00 -3.65 1.24 9.36 0.85 -4.64 117.16 121.33 1n3n n TYR 123 Ca 0.07 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.15 1n3n n TYR 123 Cb 0.35 -0.08 -0.08 0.00 -0.63 0.00 0.00 39.34 38.90 1n3n n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1n3n s ILE 124 N -2.12 -0.00 0.03 2.97 2.07 -1.15 -1.49 121.20 121.51 1n3n s ILE 124 Ca -0.05 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 1n3n s ILE 124 Cb 0.01 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1n3n s ILE 124 CO 0.07 0.00 -0.02 0.00 -1.91 0.00 0.00 174.94 173.08 1n3n s ALA 125 N 0.37 0.22 0.01 1.50 0.00 -1.04 0.02 121.76 122.85 1n3n s ALA 125 Ca -0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1n3n s ALA 125 Cb -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1n3n s ALA 125 CO 0.01 -0.24 0.89 -1.17 0.00 0.00 0.00 175.76 175.25 1n3n s LEU 126 N -1.98 4.39 0.91 0.00 2.96 0.92 -2.13 118.68 123.75 1n3n s LEU 126 Ca -0.08 1.56 -0.12 0.00 -0.22 0.00 0.00 54.13 55.27 1n3n s LEU 126 Cb -0.03 -3.43 0.14 0.00 0.50 0.00 0.00 46.19 43.36 1n3n s LEU 126 CO -0.04 -0.17 1.10 0.20 -1.32 0.00 0.00 176.35 176.12 1n3n s ASN 127 N 0.69 3.40 0.39 3.68 0.01 -0.35 -4.59 114.94 118.17 1n3n s ASN 127 Ca 0.47 1.24 0.13 0.00 -0.71 0.00 0.00 52.86 53.98 1n3n s ASN 127 Cb -0.21 -1.90 0.94 0.00 0.41 0.00 0.00 41.25 40.50 1n3n s ASN 127 CO 0.26 -2.65 1.87 -0.33 -1.51 0.00 0.00 177.10 174.74 1n3n h GLU 128 N -1.56 0.54 0.00 -0.60 4.39 -1.90 0.14 114.58 115.59 1n3n h GLU 128 Ca -0.51 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1n3n h GLU 128 Cb 1.31 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1n3n h GLU 128 CO 0.58 0.35 0.00 0.38 -1.16 0.00 0.00 179.01 179.17 1n3n h ASP 129 N 0.55 0.00 -1.13 1.42 3.04 -1.91 -3.45 116.42 114.94 1n3n h ASP 129 Ca 0.44 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.93 1n3n h ASP 129 Cb 0.88 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.09 1n3n h ASP 129 CO -0.19 0.00 -0.31 0.18 -2.04 0.00 0.00 179.24 176.89 1n3n n LEU 130 N -2.89 -1.26 0.00 0.15 4.32 0.04 -4.79 117.00 112.57 1n3n n LEU 130 Ca -0.01 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1n3n n LEU 130 Cb 0.19 -2.19 0.00 0.00 -1.62 0.00 0.00 43.42 39.80 1n3n n LEU 130 CO 0.22 -0.59 -0.25 0.29 -1.22 0.00 0.00 177.39 175.84 1n3n n LYS 131 N -2.53 2.19 -4.44 3.23 5.02 -1.26 -4.61 118.16 115.77 1n3n n LYS 131 Ca -0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.89 1n3n n LYS 131 Cb 0.53 -0.75 -0.11 0.00 -0.02 0.00 0.00 35.03 34.68 1n3n n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n3n s THR 132 N -1.41 2.34 0.48 -0.18 -4.23 -1.26 -4.94 115.64 106.43 1n3n s THR 132 Ca 0.00 -2.26 0.04 0.00 -1.18 0.00 0.00 61.69 58.29 1n3n s THR 132 Cb 0.00 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.68 1n3n s THR 132 CO 0.00 -0.33 0.35 0.79 -0.54 0.00 0.00 174.62 174.89 1n3n n TRP 133 N -0.30 -0.67 -3.50 3.99 7.02 -1.26 -1.21 117.44 121.52 1n3n n TRP 133 Ca -0.08 -2.02 -0.13 0.00 -1.02 0.00 0.00 57.50 54.25 1n3n n TRP 133 Cb 0.59 -0.39 -0.11 0.00 -2.42 0.00 0.00 31.31 28.98 1n3n n TRP 133 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1n3n s THR 134 N -2.37 -0.48 -0.34 -0.99 2.01 -0.91 -4.80 115.64 107.76 1n3n s THR 134 Ca 0.26 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1n3n s THR 134 Cb -0.02 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1n3n s THR 134 CO 0.17 -0.07 0.18 0.00 -0.69 0.00 0.00 174.62 174.21 1n3n s ALA 135 N 2.46 3.28 0.28 7.40 0.00 -1.26 -2.49 121.76 131.43 1n3n s ALA 135 Ca 0.07 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1n3n s ALA 135 Cb -0.14 -2.49 0.66 0.00 0.00 0.00 0.00 23.12 21.14 1n3n s ALA 135 CO -0.13 -1.14 1.63 0.00 0.00 0.00 0.00 175.76 176.12 1n3n h ALA 136 N 8.40 1.16 -2.87 0.00 0.00 -1.53 -3.45 119.26 120.97 1n3n h ALA 136 Ca -0.29 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n3n h ALA 136 Cb 1.13 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1n3n h ALA 136 CO 0.64 -0.48 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 1n3n n ASP 137 N -5.29 0.00 0.31 0.00 5.68 -1.26 -5.01 116.55 110.98 1n3n n ASP 137 Ca 0.20 -0.66 -0.17 0.00 -0.50 0.00 0.00 54.79 53.66 1n3n n ASP 137 Cb 0.65 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.55 1n3n n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1n3n h MET 138 N 0.00 -0.71 -0.71 0.11 2.86 -1.99 -1.68 114.93 112.81 1n3n h MET 138 Ca 0.00 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 1n3n h MET 138 Cb 0.00 0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.71 1n3n h MET 138 CO 0.00 -0.47 0.10 0.00 1.06 0.00 0.00 176.91 177.60 1n3n h ALA 139 N -0.30 0.84 -0.16 6.32 0.00 -1.97 0.49 119.26 124.47 1n3n h ALA 139 Ca -0.08 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1n3n h ALA 139 Cb 0.57 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1n3n h ALA 139 CO 0.12 -0.38 0.11 0.00 0.00 0.00 0.00 179.25 179.11 1n3n h ALA 140 N 1.62 2.08 0.17 0.00 0.00 -1.76 -2.22 119.26 119.15 1n3n h ALA 140 Ca 0.39 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1n3n h ALA 140 Cb 0.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1n3n h ALA 140 CO -0.55 -0.12 -0.29 1.96 0.00 0.00 0.00 179.25 180.25 1n3n h GLN 141 N 0.06 -0.52 -0.41 0.00 1.08 0.93 0.31 115.11 116.55 1n3n h GLN 141 Ca 0.07 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.39 1n3n h GLN 141 Cb 0.22 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.68 1n3n h GLN 141 CO -0.01 -0.35 -0.24 0.82 -0.95 0.00 0.00 178.83 178.11 1n3n h ILE 142 N -0.54 0.35 -0.49 2.54 2.04 -1.31 0.28 117.51 120.37 1n3n h ILE 142 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1n3n h ILE 142 Cb 0.55 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1n3n h ILE 142 CO -0.14 0.00 0.26 0.74 0.00 0.00 0.00 178.15 179.01 1n3n h THR 143 N -0.17 0.98 -0.12 -0.27 2.02 -1.25 -1.95 112.91 112.16 1n3n h THR 143 Ca 0.19 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1n3n h THR 143 Cb 0.47 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1n3n h THR 143 CO -0.51 0.09 -0.06 -0.09 0.37 0.00 0.00 175.52 175.32 1n3n h ARG 144 N 0.51 -0.05 -0.27 6.66 2.43 0.18 -0.43 114.38 123.41 1n3n h ARG 144 Ca 0.21 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1n3n h ARG 144 Cb 0.09 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1n3n h ARG 144 CO -0.13 -0.03 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.06 1n3n h ARG 145 N -0.05 -0.10 -0.67 0.20 9.65 -0.24 0.05 114.38 123.22 1n3n h ARG 145 Ca 0.07 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1n3n h ARG 145 Cb 0.15 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 1n3n h ARG 145 CO -0.15 -0.07 0.41 -0.22 2.80 0.00 0.00 179.97 182.74 1n3n h LYS 146 N -0.11 0.76 0.00 0.20 3.64 -1.04 -1.82 116.57 118.21 1n3n h LYS 146 Ca 0.14 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1n3n h LYS 146 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1n3n h LYS 146 CO -0.34 0.50 -0.19 -1.49 -2.27 0.00 0.00 179.45 175.67 1n3n h TRP 147 N 0.78 0.00 0.04 1.91 4.06 -0.14 -3.05 115.95 119.56 1n3n h TRP 147 Ca 0.28 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.23 1n3n h TRP 147 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1n3n h TRP 147 CO -0.05 0.19 -0.02 0.93 -3.56 0.00 0.00 178.44 175.93 1n3n h GLU 148 N 0.00 -0.05 0.00 0.49 5.08 -0.28 -2.70 114.58 117.12 1n3n h GLU 148 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n3n h GLU 148 Cb 0.66 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1n3n h GLU 148 CO 0.02 0.60 0.01 1.04 -1.00 0.00 0.00 179.01 179.69 1n3n n GLN 149 N -4.76 0.00 -0.03 2.33 6.02 -0.75 -0.50 117.38 119.69 1n3n n GLN 149 Ca -0.08 0.34 0.01 0.00 -0.01 0.00 0.00 57.00 57.26 1n3n n GLN 149 Cb 0.33 -1.51 0.02 0.00 1.02 0.00 0.00 30.24 30.11 1n3n n GLN 149 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1n3n n SER 150 N -1.34 2.04 -1.13 1.08 3.41 -1.16 -4.98 113.62 111.56 1n3n n SER 150 Ca 0.00 -1.89 -0.08 0.00 -0.26 0.00 0.00 58.87 56.63 1n3n n SER 150 Cb 0.01 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1n3n n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n3n n GLY 151 N -0.28 0.80 0.43 5.00 0.00 0.34 -4.72 105.19 106.76 1n3n n GLY 151 Ca 0.02 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.26 1n3n n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3n h ALA 152 N 0.97 2.35 -0.54 4.61 0.00 -1.74 0.83 119.26 125.74 1n3n h ALA 152 Ca -0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1n3n h ALA 152 Cb 0.60 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1n3n h ALA 152 CO 0.25 -1.04 0.31 0.00 0.00 0.00 0.00 179.25 178.78 1n3n h ALA 153 N 1.07 0.69 -0.58 0.00 0.00 -1.85 -2.06 119.26 116.54 1n3n h ALA 153 Ca 0.28 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1n3n h ALA 153 Cb 1.75 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 1n3n h ALA 153 CO -0.00 0.01 0.29 0.93 0.00 0.00 0.00 179.25 180.48 1n3n h GLU 154 N 0.62 0.54 -0.54 0.00 5.08 -1.08 -0.24 114.58 118.96 1n3n h GLU 154 Ca 0.22 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1n3n h GLU 154 Cb 0.05 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.10 1n3n h GLU 154 CO -0.11 0.36 0.08 1.25 -1.00 0.00 0.00 179.01 179.59 1n3n h HIS 155 N 0.55 0.12 -0.55 4.33 2.76 -1.45 0.19 115.15 121.11 1n3n h HIS 155 Ca 0.26 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.35 1n3n h HIS 155 Cb 0.18 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1n3n h HIS 155 CO -0.10 -0.05 -0.09 1.88 -1.30 0.00 0.00 177.93 178.27 1n3n h TYR 156 N 0.21 1.14 -0.73 5.26 0.05 -1.03 -3.00 116.97 118.87 1n3n h TYR 156 Ca 0.28 -0.23 0.09 0.00 0.05 0.00 0.00 58.73 58.91 1n3n h TYR 156 Cb 0.41 -0.28 -0.07 0.00 1.01 0.00 0.00 36.73 37.79 1n3n h TYR 156 CO -0.26 1.05 0.39 -0.22 -1.05 0.00 0.00 178.16 178.07 1n3n h LYS 157 N 0.90 0.65 0.21 4.88 3.64 0.30 0.25 116.57 127.40 1n3n h LYS 157 Ca 0.14 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1n3n h LYS 157 Cb 0.66 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1n3n h LYS 157 CO 0.05 0.43 -0.27 0.00 -2.27 0.00 0.00 179.45 177.39 1n3n h ALA 158 N 1.42 -0.52 -0.15 5.00 0.00 -0.56 -0.85 119.26 123.59 1n3n h ALA 158 Ca 0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1n3n h ALA 158 Cb 0.33 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n3n h ALA 158 CO -0.24 -0.83 0.09 -0.92 0.00 0.00 0.00 179.25 177.34 1n3n h TYR 159 N -0.53 0.21 -0.66 0.00 3.20 -1.19 0.61 116.97 118.60 1n3n h TYR 159 Ca 0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1n3n h TYR 159 Cb 0.52 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1n3n h TYR 159 CO -0.21 0.20 0.40 -0.07 -1.64 0.00 0.00 178.16 176.85 1n3n h LEU 160 N 0.15 0.65 0.00 2.82 3.38 -0.42 -0.77 115.31 121.13 1n3n h LEU 160 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n3n h LEU 160 Cb 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1n3n h LEU 160 CO -0.01 0.45 -0.50 -0.33 0.09 0.00 0.00 178.44 178.14 1n3n h GLU 161 N 0.78 0.00 0.00 1.13 5.08 -1.07 -3.37 114.58 117.14 1n3n h GLU 161 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1n3n h GLU 161 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1n3n h GLU 161 CO -0.12 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.30 1n3n n GLY 162 N 1.16 0.08 0.32 -3.84 0.00 0.20 -4.49 105.19 98.62 1n3n n GLY 162 Ca 0.02 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.25 1n3n n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n3n n GLU 163 N 0.00 -0.07 0.03 1.61 2.13 -1.08 0.48 120.64 123.73 1n3n n GLU 163 Ca 0.00 1.40 -0.10 0.00 0.66 0.00 0.00 57.16 59.12 1n3n n GLU 163 Cb 0.00 -2.34 -0.04 0.00 0.27 0.00 0.00 31.44 29.33 1n3n n GLU 163 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n3n h VAL 165 N -0.21 1.28 -0.12 0.00 2.07 -0.13 -1.78 116.25 117.35 1n3n h VAL 165 Ca 0.07 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.89 1n3n h VAL 165 Cb 0.31 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1n3n h VAL 165 CO -0.19 0.56 0.03 -0.08 0.02 0.00 0.00 177.57 177.91 1n3n h GLU 166 N 0.65 0.08 -0.25 1.57 4.81 -0.26 -2.02 114.58 119.16 1n3n h GLU 166 Ca 0.02 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1n3n h GLU 166 Cb 1.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1n3n h GLU 166 CO 0.12 0.06 -0.47 -1.49 -0.73 0.00 0.00 179.01 176.49 1n3n h TRP 167 N 0.09 0.80 -0.77 0.92 4.06 -0.66 -2.50 115.95 117.89 1n3n h TRP 167 Ca 0.05 -0.26 0.09 0.00 2.06 0.00 0.00 58.89 60.83 1n3n h TRP 167 Cb 0.04 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 27.97 1n3n h TRP 167 CO -0.11 1.00 0.42 1.25 -3.56 0.00 0.00 178.44 177.44 1n3n h LEU 168 N 0.52 0.59 0.01 -4.49 5.85 -1.17 0.25 115.31 116.87 1n3n h LEU 168 Ca 0.03 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1n3n h LEU 168 Cb 1.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1n3n h LEU 168 CO 0.10 0.35 -0.09 0.45 -0.34 0.00 0.00 178.44 178.90 1n3n h HIS 169 N 0.72 -0.23 0.11 1.25 3.86 -1.09 0.11 115.15 119.88 1n3n h HIS 169 Ca 0.37 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1n3n h HIS 169 Cb 0.33 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 1n3n h HIS 169 CO -0.08 -0.14 -0.49 -0.09 0.86 0.00 0.00 177.93 177.99 1n3n h ARG 170 N -0.16 -0.66 -0.30 2.45 9.65 -0.74 -0.65 114.38 123.97 1n3n h ARG 170 Ca 0.03 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 1n3n h ARG 170 Cb 0.20 0.15 -0.08 0.00 -1.39 0.00 0.00 29.97 28.86 1n3n h ARG 170 CO -0.09 -0.44 -0.28 1.88 2.80 0.00 0.00 179.97 183.84 1n3n h TYR 171 N -0.69 -0.76 -0.99 2.20 0.05 -0.30 0.23 116.97 116.71 1n3n h TYR 171 Ca -0.01 0.05 0.21 0.00 0.05 0.00 0.00 58.73 59.04 1n3n h TYR 171 Cb 0.69 0.38 -0.10 0.00 1.01 0.00 0.00 36.73 38.71 1n3n h TYR 171 CO -0.45 -0.35 0.62 -0.07 -1.05 0.00 0.00 178.16 176.86 1n3n h LEU 172 N -0.26 0.63 -1.39 3.88 4.07 -0.49 0.61 115.31 122.36 1n3n h LEU 172 Ca 0.15 0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 1n3n h LEU 172 Cb 0.50 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1n3n h LEU 172 CO -0.44 0.20 -0.30 0.11 -1.08 0.00 0.00 178.44 176.92 1n3n h LYS 173 N 0.60 0.00 0.00 1.13 1.57 0.63 -2.93 116.57 117.57 1n3n h LYS 173 Ca 0.57 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.12 1n3n h LYS 173 Cb 1.11 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1n3n h LYS 173 CO -0.33 0.30 -1.56 0.09 -0.57 0.00 0.00 179.45 177.37 1n3n n ASN 174 N -4.03 0.87 -0.75 0.86 3.02 0.17 -3.98 115.26 111.43 1n3n n ASN 174 Ca -0.02 0.40 -0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1n3n n ASN 174 Cb 0.36 0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.60 1n3n n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n3n n GLY 175 N 1.48 1.78 1.85 7.41 0.00 0.92 -4.40 105.19 114.22 1n3n n GLY 175 Ca -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1n3n n GLY 175 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n3n n ASN 176 N 0.16 3.73 0.16 1.61 5.03 -1.21 -2.65 115.26 122.09 1n3n n ASN 176 Ca 0.02 -2.07 0.00 0.00 0.87 0.00 0.00 54.58 53.40 1n3n n ASN 176 Cb 0.39 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 1n3n n ASN 176 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n3n n ALA 177 N 2.04 1.97 0.04 5.41 0.00 -1.26 -4.89 120.51 123.82 1n3n n ALA 177 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1n3n n ALA 177 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1n3n n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3n h THR 178 N 0.00 0.51 0.09 0.00 1.03 -1.90 -3.40 112.91 109.23 1n3n h THR 178 Ca 0.00 -1.99 -0.36 0.00 -0.01 0.00 0.00 66.41 64.06 1n3n h THR 178 Cb 0.00 2.04 -0.03 0.00 -1.07 0.00 0.00 68.15 69.10 1n3n h THR 178 CO 0.00 0.29 -2.01 0.18 -0.01 0.00 0.00 175.52 173.97 1n3n n LEU 179 N -2.91 2.33 -2.23 0.00 4.32 -1.08 -4.43 117.00 113.00 1n3n n LEU 179 Ca -0.09 0.20 -0.03 0.00 -0.02 0.00 0.00 56.01 56.08 1n3n n LEU 179 Cb 0.83 -0.85 -0.04 0.00 -1.62 0.00 0.00 43.42 41.74 1n3n n LEU 179 CO 0.43 0.78 0.72 0.18 -1.22 0.00 0.00 177.39 178.27 1n3n n LEU 180 N -3.37 1.62 -3.74 2.23 4.77 -1.24 -4.68 117.00 112.59 1n3n n LEU 180 Ca -0.31 -1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 54.38 1n3n n LEU 180 Cb 1.05 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1n3n n LEU 180 CO 0.42 0.21 0.04 -0.13 -1.33 0.00 0.00 177.39 176.60 1n3n s ARG 181 N 2.14 0.90 -0.23 3.23 0.52 -1.26 -4.95 118.95 119.29 1n3n s ARG 181 Ca 0.16 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1n3n s ARG 181 Cb 0.07 0.38 0.11 0.00 0.52 0.00 0.00 34.95 36.04 1n3n s ARG 181 CO 0.00 -0.31 0.48 0.95 0.02 0.00 0.00 175.30 176.44 1n3n s THR 182 N -3.20 -0.74 -0.12 0.02 -4.23 -1.26 -4.91 115.64 101.19 1n3n s THR 182 Ca -0.00 0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.38 1n3n s THR 182 Cb 0.01 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 1n3n s THR 182 CO -0.07 0.03 0.70 -1.81 -0.54 0.00 0.00 174.62 172.93 1n3n s ASP 183 N 2.68 6.89 0.07 3.99 1.01 -0.09 -4.91 116.67 126.31 1n3n s ASP 183 Ca -0.00 1.08 -0.28 0.00 0.71 0.00 0.00 52.55 54.05 1n3n s ASP 183 Cb -0.12 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1n3n s ASP 183 CO -0.15 -0.21 0.89 -0.44 0.21 0.00 0.00 175.17 175.47 1n3n s SER 184 N 0.97 7.37 0.18 0.27 0.01 -1.26 -0.83 113.70 120.41 1n3n s SER 184 Ca 0.35 1.64 -0.31 0.00 1.31 0.00 0.00 55.95 58.94 1n3n s SER 184 Cb -0.17 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 1n3n s SER 184 CO 0.15 -0.07 1.42 -2.16 0.41 0.00 0.00 173.24 172.99 1n3n s PRO 185 N 0.15 4.30 -0.01 12.44 0.04 -1.26 -4.56 135.00 146.10 1n3n s PRO 185 Ca 0.44 2.19 -0.13 0.00 0.04 0.00 0.00 61.00 63.55 1n3n s PRO 185 Cb -0.22 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1n3n s PRO 185 CO 0.27 -0.43 0.36 0.21 0.04 0.00 0.00 177.00 177.45 1n3n s LYS 186 N 0.42 3.82 0.28 4.56 2.36 -0.17 -4.87 119.74 126.15 1n3n s LYS 186 Ca 0.62 0.30 0.04 0.00 -2.55 0.00 0.00 55.97 54.39 1n3n s LYS 186 Cb -0.40 -3.20 -0.06 0.00 -1.05 0.00 0.00 37.83 33.13 1n3n s LYS 186 CO 0.36 0.70 0.01 0.00 1.55 0.00 0.00 175.35 177.97 1n3n s ALA 187 N -1.10 2.17 0.00 3.13 0.00 -1.26 -0.83 121.76 123.88 1n3n s ALA 187 Ca 0.23 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1n3n s ALA 187 Cb -0.16 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1n3n s ALA 187 CO 0.12 -0.24 0.00 -2.39 0.00 0.00 0.00 175.76 173.26 1n3n n HIS 188 N -0.57 0.00 -4.27 0.00 1.44 -0.98 -5.01 115.22 105.82 1n3n n HIS 188 Ca -0.04 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.41 1n3n n HIS 188 Cb 0.65 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.68 1n3n n HIS 188 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1n3n s VAL 189 N -2.00 3.37 0.02 0.61 1.01 -1.26 -0.49 120.40 121.66 1n3n s VAL 189 Ca 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 61.98 60.35 1n3n s VAL 189 Cb 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1n3n s VAL 189 CO 0.00 -0.18 -0.11 0.42 0.00 0.00 0.00 175.10 175.23 1n3n s THR 190 N -1.87 0.85 -0.12 3.92 -4.23 -0.82 -4.77 115.64 108.60 1n3n s THR 190 Ca 0.27 -0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 59.90 1n3n s THR 190 Cb -0.08 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 1n3n s THR 190 CO 0.17 0.05 0.40 -2.28 -0.54 0.00 0.00 174.62 172.43 1n3n s HIS 191 N -0.61 3.52 -0.06 3.99 2.46 -1.26 -2.05 115.29 121.27 1n3n s HIS 191 Ca 0.01 0.80 -0.01 0.00 0.47 0.00 0.00 55.06 56.32 1n3n s HIS 191 Cb -0.06 -2.45 0.03 0.00 -0.13 0.00 0.00 32.58 29.97 1n3n s HIS 191 CO 0.00 0.25 0.02 -1.01 -2.47 0.00 0.00 174.74 171.53 1n3n s HIS 192 N 0.38 0.48 0.18 3.88 3.76 -0.48 -4.99 115.29 118.50 1n3n s HIS 192 Ca 0.22 -0.04 -0.32 0.00 -0.15 0.00 0.00 55.06 54.77 1n3n s HIS 192 Cb -0.15 -0.68 -0.11 0.00 1.11 0.00 0.00 32.58 32.75 1n3n s HIS 192 CO 0.08 -0.27 1.78 -1.25 -0.85 0.00 0.00 174.74 174.23 1n3n s PRO 193 N 1.92 4.12 -0.07 8.40 0.04 -1.26 0.19 135.00 148.34 1n3n s PRO 193 Ca 0.03 2.62 0.06 0.00 0.04 0.00 0.00 61.00 63.75 1n3n s PRO 193 Cb -0.12 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 1n3n s PRO 193 CO -0.04 -0.80 0.02 -2.13 0.04 0.00 0.00 177.00 174.09 1n3n n ARG 194 N 4.66 2.82 0.00 4.56 3.00 -1.01 -4.77 116.66 125.92 1n3n n ARG 194 Ca 0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1n3n n ARG 194 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.65 1n3n n ARG 194 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1n3n n SER 195 N -2.26 2.20 -4.51 6.15 3.41 -1.01 -4.94 113.62 112.66 1n3n n SER 195 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.08 1n3n n SER 195 Cb 0.71 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 1n3n n SER 195 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1n3n s LYS 196 N 4.44 3.20 0.00 4.33 2.47 -1.26 -4.02 119.74 128.90 1n3n s LYS 196 Ca 0.00 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 53.97 1n3n s LYS 196 Cb 0.00 -4.17 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 1n3n s LYS 196 CO 0.00 -1.90 0.00 0.41 0.16 0.00 0.00 175.35 174.02 1n3n n GLY 197 N 5.30 0.76 3.78 5.54 0.00 -1.26 -4.97 105.19 114.34 1n3n n GLY 197 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1n3n n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n3n s GLU 198 N -0.36 2.62 0.34 1.61 2.02 -1.26 0.11 118.70 123.77 1n3n s GLU 198 Ca 0.00 -1.31 0.03 0.00 0.02 0.00 0.00 54.97 53.71 1n3n s GLU 198 Cb 0.00 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1n3n s GLU 198 CO 0.00 0.24 0.37 1.33 0.02 0.00 0.00 175.26 177.22 1n3n n VAL 199 N -1.17 0.00 -4.26 2.63 0.24 -0.74 -2.40 118.33 112.63 1n3n n VAL 199 Ca -0.05 -2.11 -0.23 0.00 -2.04 0.00 0.00 64.34 59.92 1n3n n VAL 199 Cb 0.59 1.15 -0.17 0.00 -1.47 0.00 0.00 33.84 33.95 1n3n n VAL 199 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1n3n s THR 200 N -3.09 0.79 -0.14 3.34 -4.23 0.13 -0.65 115.64 111.80 1n3n s THR 200 Ca 0.34 -0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1n3n s THR 200 Cb 0.01 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 1n3n s THR 200 CO 0.25 0.29 0.13 -0.76 -0.54 0.00 0.00 174.62 173.98 1n3n s LEU 201 N 0.98 4.28 -0.25 4.79 1.43 -0.35 -1.38 118.68 128.18 1n3n s LEU 201 Ca -0.10 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1n3n s LEU 201 Cb -0.15 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.08 1n3n s LEU 201 CO 0.00 0.35 -0.06 -0.60 0.23 0.00 0.00 176.35 176.27 1n3n s ARG 202 N -0.67 1.82 -0.31 1.70 6.06 -0.87 -1.88 118.95 124.80 1n3n s ARG 202 Ca 0.13 -1.19 -0.28 0.00 -2.50 0.00 0.00 55.73 51.89 1n3n s ARG 202 Cb -0.12 -2.73 0.01 0.00 0.06 0.00 0.00 34.95 32.17 1n3n s ARG 202 CO 0.02 -0.62 1.02 0.00 -2.50 0.00 0.00 175.30 173.22 1n3n s TRP 204 N 3.50 3.02 -0.17 0.00 0.52 0.36 -1.67 118.94 124.50 1n3n s TRP 204 Ca 0.43 -0.26 -0.00 0.00 0.02 0.00 0.00 56.10 56.28 1n3n s TRP 204 Cb -0.13 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.26 1n3n s TRP 204 CO 0.14 0.01 -0.15 0.00 0.02 0.00 0.00 176.95 176.97 1n3n s ALA 205 N 0.23 2.51 0.08 0.98 0.00 -0.65 -2.32 121.76 122.60 1n3n s ALA 205 Ca -0.03 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1n3n s ALA 205 Cb -0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1n3n s ALA 205 CO 0.03 -0.12 -0.10 -0.51 0.00 0.00 0.00 175.76 175.06 1n3n s LEU 206 N 0.95 2.37 -1.29 0.00 1.43 -0.01 -2.60 118.68 119.53 1n3n s LEU 206 Ca -0.03 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.27 1n3n s LEU 206 Cb -0.15 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.80 1n3n s LEU 206 CO -0.02 -0.25 1.10 0.61 0.23 0.00 0.00 176.35 178.02 1n3n n GLY 207 N 0.76 -0.46 3.54 -3.19 0.00 -1.04 -1.00 105.19 103.79 1n3n n GLY 207 Ca -0.18 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1n3n n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n3n s PHE 208 N -3.34 2.55 -0.27 1.61 -0.12 -1.11 -4.45 117.98 112.85 1n3n s PHE 208 Ca 0.33 -0.25 -0.24 0.00 -0.05 0.00 0.00 56.93 56.72 1n3n s PHE 208 Cb -0.15 -1.23 0.08 0.00 -0.63 0.00 0.00 43.02 41.09 1n3n s PHE 208 CO 0.73 0.54 0.75 -0.47 -0.05 0.00 0.00 175.22 176.72 1n3n s TYR 209 N -1.82 -0.79 1.31 3.49 5.04 -0.01 0.05 117.35 124.63 1n3n s TYR 209 Ca 0.25 1.87 -0.20 0.00 -2.44 0.00 0.00 57.07 56.55 1n3n s TYR 209 Cb -0.08 0.32 0.33 0.00 0.35 0.00 0.00 41.96 42.88 1n3n s TYR 209 CO 0.15 -0.38 1.01 -1.25 -1.34 0.00 0.00 175.55 173.74 1n3n s PRO 210 N 0.52 -2.06 0.45 4.97 0.04 -1.26 -0.91 135.00 136.75 1n3n s PRO 210 Ca -0.01 0.11 0.25 0.00 0.04 0.00 0.00 61.00 61.40 1n3n s PRO 210 Cb -0.05 -1.48 0.95 0.00 0.04 0.00 0.00 34.50 33.95 1n3n s PRO 210 CO -0.02 -4.30 1.83 0.00 0.04 0.00 0.00 177.00 174.55 1n3n h ALA 211 N -3.01 1.01 -2.60 8.56 0.00 -1.95 -3.45 119.26 117.83 1n3n h ALA 211 Ca -0.46 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 1n3n h ALA 211 Cb 1.32 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 19.16 1n3n h ALA 211 CO 0.33 0.24 0.83 -0.25 0.00 0.00 0.00 179.25 180.39 1n3n n ASP 212 N -3.33 3.54 -3.53 0.00 9.92 -1.26 -4.93 116.55 116.96 1n3n n ASP 212 Ca 0.00 1.13 -0.07 0.00 -0.53 0.00 0.00 54.79 55.32 1n3n n ASP 212 Cb 0.42 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.35 1n3n n ASP 212 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1n3n s ILE 213 N 0.23 0.00 -0.02 0.53 2.07 -1.26 -4.73 121.20 118.02 1n3n s ILE 213 Ca 0.68 -0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.91 1n3n s ILE 213 Cb -0.55 -1.02 0.03 0.00 0.13 0.00 0.00 42.46 41.05 1n3n s ILE 213 CO 0.45 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.62 1n3n s THR 214 N -2.93 -0.05 -0.00 4.00 2.01 -0.40 -5.01 115.64 113.26 1n3n s THR 214 Ca 0.06 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.36 1n3n s THR 214 Cb -0.01 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1n3n s THR 214 CO -0.08 0.10 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.97 1n3n s LEU 215 N 1.12 2.34 -0.04 4.42 1.02 -1.26 -1.03 118.68 125.25 1n3n s LEU 215 Ca -0.08 -0.42 -0.18 0.00 0.02 0.00 0.00 54.13 53.47 1n3n s LEU 215 Cb -0.13 -1.42 0.03 0.00 0.02 0.00 0.00 46.19 44.70 1n3n s LEU 215 CO -0.03 0.30 0.40 0.42 0.02 0.00 0.00 176.35 177.46 1n3n s THR 216 N -0.73 0.04 -0.09 5.49 -4.23 -1.16 -5.01 115.64 109.94 1n3n s THR 216 Ca 0.12 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1n3n s THR 216 Cb -0.10 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 1n3n s THR 216 CO 0.01 -0.17 -0.07 0.26 -0.54 0.00 0.00 174.62 174.11 1n3n s TRP 217 N -1.06 2.92 -0.04 3.99 0.52 -1.26 -2.14 118.94 121.88 1n3n s TRP 217 Ca -0.11 -0.15 0.06 0.00 0.02 0.00 0.00 56.10 55.93 1n3n s TRP 217 Cb -0.04 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1n3n s TRP 217 CO 0.05 0.17 -0.23 -0.65 0.02 0.00 0.00 176.95 176.31 1n3n s GLN 218 N -0.39 2.15 -0.46 4.98 -0.21 0.71 0.87 119.66 127.30 1n3n s GLN 218 Ca 0.06 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1n3n s GLN 218 Cb -0.12 -1.91 0.13 0.00 1.00 0.00 0.00 33.01 32.10 1n3n s GLN 218 CO 0.02 0.40 0.22 -1.17 -2.12 0.00 0.00 175.29 172.64 1n3n s LEU 219 N -0.26 3.56 -0.40 2.90 2.96 -0.69 -1.02 118.68 125.73 1n3n s LEU 219 Ca 0.01 -2.70 -0.02 0.00 -0.22 0.00 0.00 54.13 51.21 1n3n s LEU 219 Cb -0.12 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1n3n s LEU 219 CO 0.02 -0.27 0.35 0.59 -1.32 0.00 0.00 176.35 175.72 1n3n n ASN 220 N 3.49 -3.97 0.00 3.68 3.02 -1.26 -3.92 115.26 116.31 1n3n n ASN 220 Ca 0.06 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1n3n n ASN 220 Cb 0.34 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.05 1n3n n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n3n n GLY 221 N -1.37 0.67 3.73 7.41 0.00 -1.26 -4.92 105.19 109.44 1n3n n GLY 221 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1n3n n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n3n s GLU 222 N 0.00 4.35 0.13 1.61 -1.05 -1.25 -4.96 118.70 117.53 1n3n s GLU 222 Ca 0.00 2.06 -0.30 0.00 -0.15 0.00 0.00 54.97 56.58 1n3n s GLU 222 Cb 0.00 -3.22 -0.06 0.00 -0.44 0.00 0.00 34.13 30.40 1n3n s GLU 222 CO 0.00 -0.35 0.99 -1.21 0.95 0.00 0.00 175.26 175.64 1n3n s GLU 223 N 0.54 4.68 -1.11 -4.83 2.02 -1.26 -1.70 118.70 117.04 1n3n s GLU 223 Ca 0.61 1.52 -0.16 0.00 0.02 0.00 0.00 54.97 56.96 1n3n s GLU 223 Cb -0.37 -3.35 0.15 0.00 0.10 0.00 0.00 34.13 30.67 1n3n s GLU 223 CO 0.34 0.20 1.33 -0.51 0.02 0.00 0.00 175.26 176.64 1n3n s LEU 224 N -0.16 5.01 -0.52 1.80 2.01 0.25 -4.86 118.68 122.21 1n3n s LEU 224 Ca 0.47 -2.63 -0.02 0.00 0.01 0.00 0.00 54.13 51.96 1n3n s LEU 224 Cb -0.25 -2.41 0.23 0.00 0.01 0.00 0.00 46.19 43.78 1n3n s LEU 224 CO 0.31 -0.88 2.28 0.35 1.01 0.00 0.00 176.35 179.42 1n3n n THR 225 N 4.99 3.27 -3.64 5.49 -2.24 -1.26 -4.59 114.28 116.30 1n3n n THR 225 Ca 0.32 -2.80 -0.04 0.00 -2.27 0.00 0.00 64.05 59.26 1n3n n THR 225 Cb 0.45 -1.37 -0.07 0.00 -2.10 0.00 0.00 70.33 67.25 1n3n n THR 225 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n3n s GLN 226 N -2.58 0.42 -0.16 -0.78 2.00 -1.26 -4.90 119.66 112.40 1n3n s GLN 226 Ca 0.51 0.70 0.00 0.00 -2.00 0.00 0.00 55.36 54.57 1n3n s GLN 226 Cb 0.38 0.10 0.00 0.00 0.80 0.00 0.00 33.01 34.29 1n3n s GLN 226 CO -0.15 -0.08 0.00 -0.25 -0.50 0.00 0.00 175.29 174.31 1n3n n ASP 227 N 3.59 -3.46 -4.90 6.67 9.92 -1.26 -5.01 116.55 122.10 1n3n n ASP 227 Ca -0.18 0.04 -0.31 0.00 -0.53 0.00 0.00 54.79 53.81 1n3n n ASP 227 Cb 0.58 -1.09 -0.05 0.00 -0.64 0.00 0.00 41.12 39.92 1n3n n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1n3n s MET 228 N -1.19 3.64 -0.19 -1.24 1.75 -1.26 -4.56 119.30 116.25 1n3n s MET 228 Ca 0.00 -0.04 -0.03 0.00 -1.25 0.00 0.00 55.69 54.37 1n3n s MET 228 Cb 0.00 -2.80 -0.01 0.00 2.84 0.00 0.00 34.83 34.87 1n3n s MET 228 CO 0.00 0.42 -0.08 -1.21 -0.65 0.00 0.00 175.02 173.50 1n3n s GLU 229 N -2.82 3.34 0.00 4.11 0.41 0.17 -4.92 118.70 119.00 1n3n s GLU 229 Ca 0.42 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1n3n s GLU 229 Cb -0.12 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1n3n s GLU 229 CO 0.25 -0.10 0.00 1.28 -0.49 0.00 0.00 175.26 176.20 1n3n n LEU 230 N 4.47 0.00 0.00 1.80 4.77 -1.26 0.11 117.00 126.88 1n3n n LEU 230 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1n3n n LEU 230 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1n3n n LEU 230 CO 0.29 0.00 0.00 0.55 -1.33 0.00 0.00 177.39 176.90 1n3n n VAL 231 N 0.00 0.00 -1.64 4.08 3.14 -1.24 -4.84 118.33 117.83 1n3n n VAL 231 Ca 0.00 0.00 -0.47 0.00 -2.96 0.00 0.00 64.34 60.91 1n3n n VAL 231 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1n3n n VAL 231 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1n3n n GLU 232 N 0.00 1.79 -1.61 1.45 -0.58 -1.26 -4.48 120.64 115.94 1n3n n GLU 232 Ca 0.00 0.64 -0.49 0.00 -0.42 0.00 0.00 57.16 56.89 1n3n n GLU 232 Cb 0.00 -2.33 -0.05 0.00 -0.57 0.00 0.00 31.44 28.49 1n3n n GLU 232 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1n3n n THR 233 N 2.71 0.37 -4.25 2.62 -1.04 -1.26 -4.90 114.28 108.53 1n3n n THR 233 Ca 0.16 -0.09 -0.19 0.00 -2.04 0.00 0.00 64.05 61.89 1n3n n THR 233 Cb 0.26 -1.05 -0.11 0.00 -1.82 0.00 0.00 70.33 67.61 1n3n n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n3n s ARG 234 N 0.22 1.04 0.05 -2.82 1.04 0.15 -4.95 118.95 113.68 1n3n s ARG 234 Ca 0.78 -1.22 -0.31 0.00 -1.04 0.00 0.00 55.73 53.94 1n3n s ARG 234 Cb -0.83 -1.00 -0.06 0.00 -2.04 0.00 0.00 34.95 31.02 1n3n s ARG 234 CO 0.47 0.20 1.32 -1.25 -0.04 0.00 0.00 175.30 176.00 1n3n s PRO 235 N -2.51 4.35 0.46 3.89 0.04 -1.26 -0.73 135.00 139.23 1n3n s PRO 235 Ca 0.08 1.92 0.30 0.00 0.04 0.00 0.00 61.00 63.35 1n3n s PRO 235 Cb -0.06 -3.39 1.15 0.00 0.04 0.00 0.00 34.50 32.24 1n3n s PRO 235 CO 0.04 -0.42 1.88 0.00 0.04 0.00 0.00 177.00 178.53 1n3n h ALA 236 N 7.14 1.00 0.00 8.56 0.00 -1.71 -3.47 119.26 130.79 1n3n h ALA 236 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1n3n h ALA 236 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1n3n h ALA 236 CO 0.86 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1n3n n GLY 237 N 0.20 0.15 0.73 0.00 0.00 -1.26 -4.88 105.19 100.12 1n3n n GLY 237 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1n3n n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n3n n ASP 238 N 0.00 2.52 0.00 1.61 5.75 -1.26 -4.93 116.55 120.24 1n3n n ASP 238 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1n3n n ASP 238 Cb 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1n3n n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n3n n GLY 239 N 1.01 2.03 3.98 6.12 0.00 -1.26 -5.08 105.19 111.99 1n3n n GLY 239 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1n3n n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n3n s THR 240 N -2.01 2.00 0.18 2.61 -4.23 -1.26 -4.85 115.64 108.08 1n3n s THR 240 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1n3n s THR 240 Cb 0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1n3n s THR 240 CO 0.00 0.00 0.06 -0.36 -0.54 0.00 0.00 174.62 173.78 1n3n s PHE 241 N -3.42 1.15 0.07 3.99 0.40 0.11 -1.93 117.98 118.35 1n3n s PHE 241 Ca 0.71 -1.18 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1n3n s PHE 241 Cb -0.03 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1n3n s PHE 241 CO 0.48 -0.41 -0.01 -0.65 0.70 0.00 0.00 175.22 175.33 1n3n s GLN 242 N -4.02 0.68 -0.13 0.44 -0.21 0.09 -2.51 119.66 113.99 1n3n s GLN 242 Ca 0.29 -1.26 -0.33 0.00 0.02 0.00 0.00 55.36 54.08 1n3n s GLN 242 Cb 0.07 0.22 0.13 0.00 1.00 0.00 0.00 33.01 34.43 1n3n s GLN 242 CO 0.06 -0.14 1.11 0.21 -2.12 0.00 0.00 175.29 174.41 1n3n s LYS 243 N -3.95 0.47 -0.07 2.91 2.20 -1.07 -0.68 119.74 119.55 1n3n s LYS 243 Ca 0.11 -0.16 -0.22 0.00 -0.36 0.00 0.00 55.97 55.33 1n3n s LYS 243 Cb 0.08 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1n3n s LYS 243 CO -0.08 -0.20 0.51 1.67 -0.36 0.00 0.00 175.35 176.90 1n3n s TRP 244 N -2.57 -0.47 0.07 4.03 1.48 -1.26 -1.63 118.94 118.58 1n3n s TRP 244 Ca 0.08 0.90 0.08 0.00 -1.06 0.00 0.00 56.10 56.10 1n3n s TRP 244 Cb -0.01 0.25 -0.03 0.00 -1.16 0.00 0.00 33.47 32.52 1n3n s TRP 244 CO -0.06 -0.45 -0.22 0.00 -4.06 0.00 0.00 176.95 172.16 1n3n s ALA 245 N -0.88 1.84 0.06 2.67 0.00 -0.67 -3.73 121.76 121.05 1n3n s ALA 245 Ca -0.09 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1n3n s ALA 245 Cb -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1n3n s ALA 245 CO 0.06 0.40 0.13 -1.54 0.00 0.00 0.00 175.76 174.81 1n3n s SER 246 N -1.50 0.18 0.08 0.00 1.04 0.12 0.48 113.70 114.09 1n3n s SER 246 Ca 0.08 -0.62 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 1n3n s SER 246 Cb -0.09 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1n3n s SER 246 CO 0.03 -0.62 0.12 0.68 0.98 0.00 0.00 173.24 174.43 1n3n s VAL 247 N -3.31 0.16 -0.52 5.02 -7.23 -0.79 0.45 120.40 114.19 1n3n s VAL 247 Ca 0.01 -1.36 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 1n3n s VAL 247 Cb 0.03 -1.38 0.10 0.00 0.56 0.00 0.00 36.38 35.68 1n3n s VAL 247 CO -0.08 -0.75 0.51 0.68 -0.31 0.00 0.00 175.10 175.16 1n3n s VAL 248 N -3.84 5.11 -0.24 1.32 -7.23 -1.26 -1.20 120.40 113.06 1n3n s VAL 248 Ca 0.05 -1.14 -0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1n3n s VAL 248 Cb 0.06 -4.29 -0.02 0.00 0.56 0.00 0.00 36.38 32.68 1n3n s VAL 248 CO -0.11 -0.81 0.04 -0.69 -0.31 0.00 0.00 175.10 173.23 1n3n s VAL 249 N 1.92 4.13 -0.31 1.32 1.01 0.18 -4.88 120.40 123.77 1n3n s VAL 249 Ca 0.06 -0.24 -0.38 0.00 0.00 0.00 0.00 61.98 61.42 1n3n s VAL 249 Cb -0.26 -2.91 -0.14 0.00 0.00 0.00 0.00 36.38 33.07 1n3n s VAL 249 CO 0.06 0.37 1.96 -2.65 0.00 0.00 0.00 175.10 174.84 1n3n n PRO 250 N 4.79 1.12 -1.43 2.72 -0.02 -1.26 -1.79 135.00 139.13 1n3n n PRO 250 Ca -0.17 0.37 -0.50 0.00 -2.02 0.00 0.00 63.50 61.18 1n3n n PRO 250 Cb 0.51 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1n3n n PRO 250 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n3n n LEU 251 N 7.38 -0.85 0.00 2.45 7.94 0.31 -1.30 117.00 132.93 1n3n n LEU 251 Ca 0.34 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.38 1n3n n LEU 251 Cb 0.17 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.16 1n3n n LEU 251 CO 0.79 -2.69 0.00 0.61 -1.11 0.00 0.00 177.39 174.99 1n3n n GLY 252 N 1.87 3.15 2.01 -3.96 0.00 -1.26 -4.86 105.19 102.15 1n3n n GLY 252 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1n3n n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n3n n LYS 253 N -1.17 2.34 0.23 1.61 4.76 -0.42 -4.73 118.16 120.79 1n3n n LYS 253 Ca 0.00 -3.19 -0.15 0.00 -2.87 0.00 0.00 58.31 52.10 1n3n n LYS 253 Cb 0.00 -2.13 -0.08 0.00 -1.84 0.00 0.00 35.03 30.98 1n3n n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1n3n h GLU 254 N 1.31 -0.63 -0.04 1.97 3.07 -1.89 -3.07 114.58 115.29 1n3n h GLU 254 Ca 0.53 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.44 1n3n h GLU 254 Cb 2.04 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 30.09 1n3n h GLU 254 CO 1.05 -0.42 0.20 1.96 -1.40 0.00 0.00 179.01 180.40 1n3n h GLN 255 N -0.65 0.00 -0.24 2.33 1.08 -1.90 -1.23 115.11 114.50 1n3n h GLN 255 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1n3n h GLN 255 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1n3n h GLN 255 CO 0.01 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.98 1n3n n ASN 256 N -3.11 0.24 -3.85 1.46 4.13 -1.16 -4.65 115.26 108.31 1n3n n ASN 256 Ca -0.02 -1.59 -0.20 0.00 1.68 0.00 0.00 54.58 54.46 1n3n n ASN 256 Cb 0.27 -0.12 -0.17 0.00 -1.54 0.00 0.00 39.78 38.23 1n3n n ASN 256 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1n3n s TYR 257 N -1.70 0.67 0.04 3.10 2.02 -0.47 -4.00 117.35 117.02 1n3n s TYR 257 Ca 0.00 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1n3n s TYR 257 Cb 0.00 -0.67 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 1n3n s TYR 257 CO 0.00 -0.22 -0.09 0.95 -1.57 0.00 0.00 175.55 174.62 1n3n s THR 258 N 1.23 0.61 -0.09 -0.71 -4.23 -0.19 -4.54 115.64 107.73 1n3n s THR 258 Ca -0.06 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1n3n s THR 258 Cb -0.14 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.07 1n3n s THR 258 CO -0.02 -0.31 -0.13 0.00 -0.54 0.00 0.00 174.62 173.62 1n3n s ARG 260 N 0.87 3.64 -0.37 0.00 3.03 -0.91 -1.57 118.95 123.63 1n3n s ARG 260 Ca -0.10 -0.05 0.02 0.00 2.03 0.00 0.00 55.73 57.63 1n3n s ARG 260 Cb -0.15 -2.78 0.11 0.00 -1.03 0.00 0.00 34.95 31.10 1n3n s ARG 260 CO 0.01 0.39 0.12 0.08 -1.13 0.00 0.00 175.30 174.77 1n3n s VAL 261 N -1.78 1.80 -0.12 4.99 1.01 -0.51 -3.00 120.40 122.80 1n3n s VAL 261 Ca 0.42 -2.24 -0.24 0.00 0.00 0.00 0.00 61.98 59.93 1n3n s VAL 261 Cb -0.12 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1n3n s VAL 261 CO 0.25 -0.69 0.74 -0.31 0.00 0.00 0.00 175.10 175.10 1n3n s TYR 262 N 0.87 3.50 -0.25 5.22 1.51 -0.20 -2.89 117.35 125.11 1n3n s TYR 262 Ca 0.12 1.21 -0.16 0.00 -1.01 0.00 0.00 57.07 57.23 1n3n s TYR 262 Cb -0.20 -2.88 0.07 0.00 -0.11 0.00 0.00 41.96 38.84 1n3n s TYR 262 CO -0.11 -0.06 0.63 -1.58 -1.11 0.00 0.00 175.55 173.32 1n3n s HIS 263 N 1.42 -0.89 0.19 2.71 2.46 -1.26 -1.27 115.29 118.64 1n3n s HIS 263 Ca 0.37 1.88 -0.20 0.00 0.47 0.00 0.00 55.06 57.58 1n3n s HIS 263 Cb -0.17 0.47 0.14 0.00 -0.13 0.00 0.00 32.58 32.88 1n3n s HIS 263 CO 0.15 -0.45 1.59 1.05 -2.47 0.00 0.00 174.74 174.62 1n3n h GLU 264 N 6.55 -0.14 0.00 2.88 4.11 -1.96 0.36 114.58 126.37 1n3n h GLU 264 Ca -0.31 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1n3n h GLU 264 Cb 1.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1n3n h GLU 264 CO 0.17 -0.10 0.01 0.41 0.07 0.00 0.00 179.01 179.57 1n3n n GLY 265 N -1.43 -0.24 3.76 1.06 0.00 -1.26 -4.62 105.19 102.46 1n3n n GLY 265 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1n3n n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n3n s LEU 266 N -2.47 4.34 0.13 0.99 2.96 0.13 -4.59 118.68 120.17 1n3n s LEU 266 Ca 0.00 0.80 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 1n3n s LEU 266 Cb 0.00 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1n3n s LEU 266 CO 0.00 0.14 1.61 -0.65 -1.32 0.00 0.00 176.35 176.13 1n3n h PRO 267 N 5.98 -0.43 -3.50 0.98 0.11 -1.84 -3.44 132.00 129.86 1n3n h PRO 267 Ca -0.45 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1n3n h PRO 267 Cb 1.19 0.10 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1n3n h PRO 267 CO 0.70 -0.28 -0.45 -1.83 -0.21 0.00 0.00 178.00 175.93 1n3n s GLU 268 N -5.99 0.57 0.33 1.05 -1.05 -1.26 -5.13 118.70 107.21 1n3n s GLU 268 Ca -0.15 -0.47 -0.26 0.00 -0.15 0.00 0.00 54.97 53.94 1n3n s GLU 268 Cb 0.10 0.24 -0.14 0.00 -0.44 0.00 0.00 34.13 33.88 1n3n s GLU 268 CO 0.65 -0.15 0.74 -2.30 0.95 0.00 0.00 175.26 175.16 1n3n n PRO 269 N 1.17 0.80 -3.26 -4.83 -0.02 -1.26 -4.95 135.00 122.65 1n3n n PRO 269 Ca -0.21 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 1n3n n PRO 269 Cb 0.57 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 1n3n n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3n s LEU 270 N 1.36 4.21 -0.15 2.45 1.43 -1.14 -4.86 118.68 121.97 1n3n s LEU 270 Ca 0.62 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1n3n s LEU 270 Cb -0.70 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 41.85 1n3n s LEU 270 CO 0.58 -0.05 -0.18 -0.89 0.23 0.00 0.00 176.35 176.04 1n3n s THR 271 N -1.73 1.85 0.17 5.49 2.01 -1.26 -1.43 115.64 120.74 1n3n s THR 271 Ca 0.46 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.73 1n3n s THR 271 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1n3n s THR 271 CO 0.19 0.51 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.68 1n3n s LEU 272 N 1.15 2.44 0.02 4.42 1.43 -0.61 -4.98 118.68 122.54 1n3n s LEU 272 Ca -0.00 -0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 1n3n s LEU 272 Cb -0.14 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.24 1n3n s LEU 272 CO -0.07 -0.01 0.46 -0.60 0.23 0.00 0.00 176.35 176.36 1n3n s ARG 273 N -2.80 0.92 0.14 1.70 3.52 -1.26 -1.63 118.95 119.54 1n3n s ARG 273 Ca 0.17 -0.19 -0.33 0.00 -0.13 0.00 0.00 55.73 55.25 1n3n s ARG 273 Cb -0.06 0.42 -0.13 0.00 -1.56 0.00 0.00 34.95 33.62 1n3n s ARG 273 CO 0.07 -0.31 1.66 1.87 -0.81 0.00 0.00 175.30 177.79 1n3n n TRP 274 N 0.71 2.39 -3.72 5.12 -0.00 -1.26 -4.74 117.44 115.93 1n3n n TRP 274 Ca -0.19 0.16 -0.36 0.00 -0.00 0.00 0.00 57.50 57.10 1n3n n TRP 274 Cb 0.59 -2.60 -0.10 0.00 -0.00 0.00 0.00 31.31 29.20 1n3n n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1n3n s GLU 275 N 1.51 2.49 0.00 5.87 2.02 -1.26 -4.88 118.70 124.44 1n3n s GLU 275 Ca 0.80 -2.43 0.04 0.00 0.02 0.00 0.00 54.97 53.41 1n3n s GLU 275 Cb -0.63 -3.72 0.25 0.00 0.10 0.00 0.00 34.13 30.13 1n3n s GLU 275 CO 0.39 -1.16 0.73 -0.35 0.02 0.00 0.00 175.26 174.88