#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 2.62 0.22 1.61 0.04 -1.26 -4.22 135.00 134.01 1n3n s PRO 2 Ca 0.00 0.31 -0.01 0.00 0.04 0.00 0.00 61.00 61.34 1n3n s PRO 2 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1n3n s PRO 2 CO 0.00 -1.15 0.17 -1.01 0.04 0.00 0.00 177.00 175.06 1n3n s HIS 3 N -3.38 1.19 0.16 0.56 3.76 -0.81 -4.97 115.29 111.81 1n3n s HIS 3 Ca 0.59 -1.38 -0.24 0.00 -0.15 0.00 0.00 55.06 53.88 1n3n s HIS 3 Cb -0.11 -0.53 0.06 0.00 1.11 0.00 0.00 32.58 33.11 1n3n s HIS 3 CO 0.50 -0.70 0.79 -1.54 -0.85 0.00 0.00 174.74 172.94 1n3n s SER 4 N -3.18 -0.33 -0.10 1.40 1.04 -1.26 -0.73 113.70 110.53 1n3n s SER 4 Ca 0.38 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.46 1n3n s SER 4 Cb 0.06 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.78 1n3n s SER 4 CO 0.14 -0.99 0.25 -0.32 0.98 0.00 0.00 173.24 173.29 1n3n s MET 5 N -3.55 0.24 0.05 4.02 1.75 -0.83 -0.41 119.30 120.58 1n3n s MET 5 Ca 0.08 0.45 -0.00 0.00 -1.25 0.00 0.00 55.69 54.96 1n3n s MET 5 Cb -0.03 -0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 1n3n s MET 5 CO -0.02 -0.11 -0.04 1.03 -0.65 0.00 0.00 175.02 175.23 1n3n s ARG 6 N 0.77 0.58 -0.24 4.11 1.81 0.01 -1.28 118.95 124.72 1n3n s ARG 6 Ca -0.05 -1.11 -0.01 0.00 -1.72 0.00 0.00 55.73 52.84 1n3n s ARG 6 Cb -0.07 0.12 0.07 0.00 -0.45 0.00 0.00 34.95 34.62 1n3n s ARG 6 CO -0.05 -0.08 0.01 0.71 -0.68 0.00 0.00 175.30 175.21 1n3n s TYR 7 N -3.34 1.83 -0.29 -0.53 1.51 0.11 -0.58 117.35 116.07 1n3n s TYR 7 Ca 0.03 -1.49 -0.19 0.00 -1.01 0.00 0.00 57.07 54.41 1n3n s TYR 7 Cb 0.04 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1n3n s TYR 7 CO -0.07 -0.74 0.55 -0.06 -1.11 0.00 0.00 175.55 174.12 1n3n s PHE 8 N 1.58 3.23 -0.12 2.71 0.40 0.22 -2.59 117.98 123.42 1n3n s PHE 8 Ca -0.00 0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.88 1n3n s PHE 8 Cb -0.18 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.50 1n3n s PHE 8 CO -0.11 -0.40 -0.21 -1.21 0.70 0.00 0.00 175.22 174.00 1n3n s GLU 9 N 2.43 3.11 0.09 0.44 2.02 0.10 -0.81 118.70 126.08 1n3n s GLU 9 Ca 0.22 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.46 1n3n s GLU 9 Cb -0.15 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 1n3n s GLU 9 CO 0.11 0.11 -0.21 0.99 0.02 0.00 0.00 175.26 176.27 1n3n s THR 10 N 0.54 1.74 -0.05 3.63 2.01 -0.27 0.12 115.64 123.37 1n3n s THR 10 Ca -0.13 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 60.40 1n3n s THR 10 Cb -0.17 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1n3n s THR 10 CO 0.04 0.03 0.03 0.00 -0.69 0.00 0.00 174.62 174.04 1n3n s ALA 11 N -1.05 0.36 -0.10 7.40 0.00 -0.42 0.35 121.76 128.31 1n3n s ALA 11 Ca 0.07 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1n3n s ALA 11 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1n3n s ALA 11 CO 0.04 -0.40 -0.12 0.54 0.00 0.00 0.00 175.76 175.82 1n3n s VAL 12 N 1.89 1.22 -0.17 0.00 0.11 0.14 -1.01 120.40 122.58 1n3n s VAL 12 Ca 0.02 -0.47 -0.10 0.00 -2.93 0.00 0.00 61.98 58.50 1n3n s VAL 12 Cb -0.12 -1.15 -0.05 0.00 -1.53 0.00 0.00 36.38 33.53 1n3n s VAL 12 CO -0.03 0.39 0.16 -0.94 -3.33 0.00 0.00 175.10 171.34 1n3n s SER 13 N 1.13 6.30 0.16 3.54 1.04 -0.26 -1.67 113.70 123.94 1n3n s SER 13 Ca -0.05 0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.78 1n3n s SER 13 Cb -0.14 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 1n3n s SER 13 CO -0.02 0.23 0.08 -0.13 0.98 0.00 0.00 173.24 174.37 1n3n s ARG 14 N -0.01 2.70 0.50 4.02 1.81 -1.26 -1.20 118.95 125.51 1n3n s ARG 14 Ca 0.11 -0.94 -0.19 0.00 -1.72 0.00 0.00 55.73 52.99 1n3n s ARG 14 Cb -0.12 -2.54 -0.08 0.00 -0.45 0.00 0.00 34.95 31.76 1n3n s ARG 14 CO 0.01 0.48 1.03 -1.25 -0.68 0.00 0.00 175.30 174.89 1n3n s PRO 15 N -2.95 3.74 -0.88 3.54 0.04 -1.22 -3.89 135.00 133.38 1n3n s PRO 15 Ca 0.29 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 1n3n s PRO 15 Cb -0.10 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1n3n s PRO 15 CO 0.21 -0.47 0.73 0.41 0.04 0.00 0.00 177.00 177.93 1n3n n GLY 16 N -0.47 -1.20 0.00 0.56 0.00 -1.26 -4.98 105.19 97.84 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 -2.61 0.00 -4.97 0.99 7.94 -1.25 -5.18 117.00 111.92 1n3n n LEU 17 Ca -0.09 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.60 1n3n n LEU 17 Cb 0.57 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.51 1n3n n LEU 17 CO 0.59 0.00 0.07 -0.70 -1.11 0.00 0.00 177.39 176.23 1n3n s GLU 18 N 0.00 3.30 -0.16 1.96 2.56 -1.26 -4.56 118.70 120.54 1n3n s GLU 18 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 54.97 54.15 1n3n s GLU 18 Cb 0.00 -2.79 0.03 0.00 2.00 0.00 0.00 34.13 33.37 1n3n s GLU 18 CO 0.00 0.18 0.18 0.39 -0.56 0.00 0.00 175.26 175.45 1n3n n GLU 19 N -1.63 -3.57 -1.23 4.30 -0.58 -1.26 -4.98 120.64 111.69 1n3n n GLU 19 Ca -0.04 2.80 -0.33 0.00 -0.42 0.00 0.00 57.16 59.17 1n3n n GLU 19 Cb 0.57 -4.26 0.11 0.00 -0.57 0.00 0.00 31.44 27.29 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 -0.80 1.91 0.06 3.49 0.04 -1.26 -4.95 135.00 133.48 1n3n s PRO 20 Ca -0.21 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1n3n s PRO 20 Cb 0.01 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1n3n s PRO 20 CO 0.63 -1.98 0.79 0.50 0.04 0.00 0.00 177.00 176.99 1n3n s ARG 21 N -4.27 4.53 -0.10 4.56 3.52 -0.67 -4.83 118.95 121.69 1n3n s ARG 21 Ca 0.70 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 57.44 1n3n s ARG 21 Cb -0.25 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 1n3n s ARG 21 CO 0.50 0.29 -0.16 -0.47 -0.81 0.00 0.00 175.30 174.65 1n3n s TYR 22 N -0.11 2.71 0.03 5.12 5.04 -1.26 0.23 117.35 129.11 1n3n s TYR 22 Ca 0.39 -0.60 0.03 0.00 -2.44 0.00 0.00 57.07 54.46 1n3n s TYR 22 Cb -0.21 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.33 1n3n s TYR 22 CO 0.24 -0.15 -0.08 0.42 -1.34 0.00 0.00 175.55 174.64 1n3n s ILE 23 N 0.05 0.63 -0.05 3.14 1.01 0.16 -1.32 121.20 124.81 1n3n s ILE 23 Ca -0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1n3n s ILE 23 Cb -0.15 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.74 1n3n s ILE 23 CO 0.05 -0.13 0.04 -0.55 0.00 0.00 0.00 174.94 174.34 1n3n s SER 24 N -1.00 1.26 -0.09 3.58 0.15 0.24 -1.11 113.70 116.73 1n3n s SER 24 Ca -0.03 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.67 1n3n s SER 24 Cb -0.07 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1n3n s SER 24 CO 0.00 -0.22 -0.24 -0.69 1.20 0.00 0.00 173.24 173.29 1n3n s VAL 25 N 2.03 2.06 0.02 4.45 1.01 0.01 -0.72 120.40 129.26 1n3n s VAL 25 Ca 0.04 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1n3n s VAL 25 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1n3n s VAL 25 CO -0.04 0.56 -0.11 -0.83 0.00 0.00 0.00 175.10 174.69 1n3n s GLY 26 N 0.27 1.70 0.04 4.51 0.00 -0.44 0.72 107.32 114.12 1n3n s GLY 26 Ca -0.17 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1n3n s GLY 26 CO 0.08 -0.97 -0.09 -0.19 0.00 0.00 0.00 173.10 171.93 1n3n s TYR 27 N -0.99 0.80 -0.17 1.90 1.51 0.25 -1.76 117.35 118.89 1n3n s TYR 27 Ca 0.17 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1n3n s TYR 27 Cb -0.11 -0.47 0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1n3n s TYR 27 CO 0.07 -0.03 -0.11 0.14 -1.11 0.00 0.00 175.55 174.51 1n3n s VAL 28 N -1.09 1.52 -1.25 0.71 -7.23 -0.96 -0.81 120.40 111.29 1n3n s VAL 28 Ca -0.05 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1n3n s VAL 28 Cb -0.08 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1n3n s VAL 28 CO 0.01 0.30 1.07 0.47 -0.31 0.00 0.00 175.10 176.64 1n3n n ASP 29 N 4.76 -4.31 -3.42 4.85 8.00 0.46 -2.69 116.55 124.19 1n3n n ASP 29 Ca -0.15 -0.56 -0.24 0.00 0.71 0.00 0.00 54.79 54.54 1n3n n ASP 29 Cb 0.48 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 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 -2.97 -4.00 -4.00 -2.24 4.13 -1.26 -4.96 115.26 99.97 1n3n n ASN 30 Ca -0.13 -0.44 -0.30 0.00 1.68 0.00 0.00 54.58 55.39 1n3n n ASN 30 Cb 0.61 -3.29 -0.16 0.00 -1.54 0.00 0.00 39.78 35.40 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 -6.08 2.13 0.26 3.52 2.36 -1.10 -5.06 119.74 115.77 1n3n s LYS 31 Ca 0.43 -0.61 -0.31 0.00 -2.55 0.00 0.00 55.97 52.93 1n3n s LYS 31 Cb -0.22 -2.15 -0.13 0.00 -1.05 0.00 0.00 37.83 34.27 1n3n s LYS 31 CO 0.53 -0.30 1.41 -1.91 1.55 0.00 0.00 175.35 176.63 1n3n n GLU 32 N 4.77 2.12 0.00 4.03 2.13 -1.26 -2.28 120.64 130.14 1n3n n GLU 32 Ca -0.16 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1n3n n GLU 32 Cb 0.49 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.79 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 1.73 0.00 -3.66 4.31 -1.74 -0.72 -4.71 117.46 112.68 1n3n n PHE 33 Ca 0.10 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.85 1n3n n PHE 33 Cb 0.33 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.13 0.00 -0.02 1.97 -7.23 -1.22 -1.42 120.40 112.37 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 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1n3n s VAL 34 CO 0.00 -0.01 0.11 -0.60 -0.31 0.00 0.00 175.10 174.29 1n3n s ARG 35 N 0.09 0.34 -0.03 4.82 3.52 -0.90 -1.33 118.95 125.46 1n3n s ARG 35 Ca -0.02 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1n3n s ARG 35 Cb -0.04 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 1n3n s ARG 35 CO 0.02 -0.07 -0.01 0.12 -0.81 0.00 0.00 175.30 174.55 1n3n s PHE 36 N -0.84 0.42 -0.20 5.12 2.19 0.10 -0.70 117.98 124.07 1n3n s PHE 36 Ca -0.09 -0.05 -0.01 0.00 0.33 0.00 0.00 56.93 57.11 1n3n s PHE 36 Cb -0.05 -0.48 0.06 0.00 -1.31 0.00 0.00 43.02 41.23 1n3n s PHE 36 CO 0.01 -0.15 -0.01 0.34 1.83 0.00 0.00 175.22 177.24 1n3n s ASP 37 N 1.04 3.21 0.07 6.13 -1.08 -1.26 -0.59 116.67 124.19 1n3n s ASP 37 Ca -0.09 -0.92 0.04 0.00 -0.52 0.00 0.00 52.55 51.06 1n3n s ASP 37 Cb -0.14 -0.83 0.22 0.00 -1.46 0.00 0.00 42.92 40.71 1n3n s ASP 37 CO -0.01 -0.27 1.06 -1.54 0.52 0.00 0.00 175.17 174.93 1n3n n SER 38 N 4.90 0.11 -0.19 -0.34 3.41 -0.43 -0.58 113.62 120.49 1n3n n SER 38 Ca -0.10 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 1n3n n SER 38 Cb 0.46 -0.50 0.47 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.60 0.78 -4.64 4.04 9.92 -1.26 -4.85 116.55 118.94 1n3n n ASP 39 Ca -0.00 -0.73 -0.29 0.00 -0.53 0.00 0.00 54.79 53.24 1n3n n ASP 39 Cb 0.08 0.04 0.19 0.00 -0.64 0.00 0.00 41.12 40.79 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 -2.50 0.68 -0.01 2.24 0.00 0.25 -4.95 121.76 117.47 1n3n s ALA 40 Ca 0.26 -0.31 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 1n3n s ALA 40 Cb 0.20 -3.14 -0.19 0.00 0.00 0.00 0.00 23.12 19.98 1n3n s ALA 40 CO 0.50 -3.04 1.31 0.93 0.00 0.00 0.00 175.76 175.46 1n3n h GLU 41 N -2.04 -0.04 -3.19 0.00 3.07 -1.90 -3.37 114.58 107.11 1n3n h GLU 41 Ca -0.56 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 57.68 1n3n h GLU 41 Cb 1.33 0.01 -0.41 0.00 -0.84 0.00 0.00 28.75 28.84 1n3n h GLU 41 CO 0.56 0.38 -0.67 1.21 -1.40 0.00 0.00 179.01 179.10 1n3n s ASN 42 N -5.58 4.07 0.05 1.42 3.04 -1.26 -5.10 114.94 111.58 1n3n s ASN 42 Ca -0.15 -2.98 -0.36 0.00 0.04 0.00 0.00 52.86 49.42 1n3n s ASN 42 Cb 0.02 -1.40 -0.15 0.00 -1.54 0.00 0.00 41.25 38.18 1n3n s ASN 42 CO 0.66 -0.23 1.56 -2.65 -3.04 0.00 0.00 177.10 173.40 1n3n n PRO 43 N 3.13 1.71 0.00 0.43 -0.02 -1.26 -4.95 135.00 134.04 1n3n n PRO 43 Ca 0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1n3n n PRO 43 Cb 0.34 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.82 0.00 -1.71 -0.52 1.85 -1.26 -5.04 116.66 113.79 1n3n n ARG 44 Ca 0.19 0.00 -0.59 0.00 -1.00 0.00 0.00 57.85 56.46 1n3n n ARG 44 Cb 0.24 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.57 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 1.97 -4.03 2.89 4.02 -1.26 -4.75 117.16 116.00 1n3n n TYR 45 Ca 0.00 0.64 -0.33 0.00 -0.01 0.00 0.00 57.90 58.20 1n3n n TYR 45 Cb 0.00 -2.42 -0.06 0.00 -0.02 0.00 0.00 39.34 36.84 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 3.28 3.19 0.60 -0.72 0.41 0.12 -4.90 118.70 120.69 1n3n s GLU 46 Ca 0.99 -0.43 -0.17 0.00 -0.41 0.00 0.00 54.97 54.94 1n3n s GLU 46 Cb -1.13 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 28.25 1n3n s GLU 46 CO 0.67 0.66 1.11 -1.25 -0.49 0.00 0.00 175.26 175.95 1n3n s PRO 47 N -1.83 3.13 -0.30 0.39 0.04 -1.26 -2.11 135.00 133.06 1n3n s PRO 47 Ca 0.25 1.45 0.19 0.00 0.04 0.00 0.00 61.00 62.92 1n3n s PRO 47 Cb -0.12 -1.99 0.48 0.00 0.04 0.00 0.00 34.50 32.90 1n3n s PRO 47 CO 0.16 -0.99 1.02 0.54 0.04 0.00 0.00 177.00 177.76 1n3n n ARG 48 N -1.87 1.50 -3.65 4.56 1.74 -0.50 -4.83 116.66 113.61 1n3n n ARG 48 Ca 0.11 -3.42 0.01 0.00 -0.77 0.00 0.00 57.85 53.78 1n3n n ARG 48 Cb 0.52 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.46 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 -3.39 -2.56 0.23 7.54 0.00 -1.26 -4.38 121.76 117.94 1n3n s ALA 49 Ca 0.28 1.89 -0.17 0.00 0.00 0.00 0.00 51.96 53.96 1n3n s ALA 49 Cb 0.41 -1.94 0.25 0.00 0.00 0.00 0.00 23.12 21.83 1n3n s ALA 49 CO 0.00 -0.25 1.55 -1.00 0.00 0.00 0.00 175.76 176.06 1n3n h PRO 50 N 4.55 -0.00 0.26 0.00 0.13 -1.98 -2.22 132.00 132.74 1n3n h PRO 50 Ca -0.26 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1n3n h PRO 50 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1n3n h PRO 50 CO 0.22 -0.00 -0.44 0.11 -0.23 0.00 0.00 178.00 177.66 1n3n h TRP 51 N -0.00 -1.24 0.00 1.56 5.08 -1.96 -0.62 115.95 118.76 1n3n h TRP 51 Ca 0.35 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.34 1n3n h TRP 51 Cb 0.60 0.51 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1n3n h TRP 51 CO -0.87 -0.57 0.21 -0.12 -1.28 0.00 0.00 178.44 175.81 1n3n n MET 52 N -5.49 0.00 0.00 0.12 1.56 -0.84 -1.13 117.12 111.33 1n3n n MET 52 Ca -0.09 0.19 0.09 0.00 -0.27 0.00 0.00 57.70 57.62 1n3n n MET 52 Cb 0.40 -1.71 0.41 0.00 2.15 0.00 0.00 33.22 34.47 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 -1.13 0.06 -0.86 2.12 1.02 -0.24 -3.32 120.64 118.28 1n3n n GLU 53 Ca 0.00 0.17 -0.17 0.00 -0.02 0.00 0.00 57.16 57.14 1n3n n GLU 53 Cb 0.21 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.45 1.87 -0.09 3.49 10.64 -0.29 -4.54 117.38 127.01 1n3n n GLN 54 Ca 0.05 -1.84 -0.23 0.00 -1.83 0.00 0.00 57.00 53.16 1n3n n GLN 54 Cb 0.20 -1.72 -0.12 0.00 -0.86 0.00 0.00 30.24 27.74 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 -0.16 0.65 0.00 2.61 -0.58 -1.21 -5.12 120.64 116.83 1n3n n GLU 55 Ca 0.36 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 1n3n n GLU 55 Cb 0.86 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 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 1.77 0.80 0.30 0.62 0.00 -1.26 -4.63 105.19 102.79 1n3n n GLY 56 Ca -0.42 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 0.10 -0.76 1.61 0.13 -1.99 -0.94 132.00 130.16 1n3n h PRO 57 Ca 0.00 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.27 1n3n h PRO 57 Cb 0.00 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 30.96 1n3n h PRO 57 CO 0.00 0.07 -0.19 1.05 -0.23 0.00 0.00 178.00 178.70 1n3n h GLU 58 N 0.11 0.00 0.63 0.86 9.09 -1.99 0.38 114.58 123.65 1n3n h GLU 58 Ca 0.50 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.88 1n3n h GLU 58 Cb 0.97 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 1n3n h GLU 58 CO -0.74 0.00 -0.32 -0.92 0.05 0.00 0.00 179.01 177.08 1n3n h TYR 59 N 0.00 -0.84 -0.79 2.06 5.03 -1.43 -1.89 116.97 119.10 1n3n h TYR 59 Ca 0.36 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.81 1n3n h TYR 59 Cb 0.55 0.28 -0.10 0.00 1.55 0.00 0.00 36.73 39.02 1n3n h TYR 59 CO -0.60 -0.51 0.34 -1.49 -1.32 0.00 0.00 178.16 174.58 1n3n h TRP 60 N -0.87 0.58 0.43 -3.82 4.06 -1.24 -0.02 115.95 115.07 1n3n h TRP 60 Ca -0.09 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1n3n h TRP 60 Cb 0.68 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.68 1n3n h TRP 60 CO 0.05 0.08 -0.45 1.49 -3.56 0.00 0.00 178.44 176.04 1n3n h GLU 61 N 0.48 -0.86 -1.01 0.49 4.57 -0.24 0.53 114.58 118.55 1n3n h GLU 61 Ca 0.44 0.06 0.24 0.00 -1.18 0.00 0.00 59.36 58.92 1n3n h GLU 61 Cb 0.68 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.37 1n3n h GLU 61 CO -0.41 -0.57 0.64 -0.09 -1.18 0.00 0.00 179.01 177.41 1n3n h ARG 62 N -0.89 0.44 0.00 1.92 2.43 -0.43 0.15 114.38 118.01 1n3n h ARG 62 Ca -0.05 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1n3n h ARG 62 Cb 0.77 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1n3n h ARG 62 CO -0.07 0.29 -0.15 0.93 -1.51 0.00 0.00 179.97 179.47 1n3n h GLU 63 N 0.46 0.10 -0.66 0.20 4.39 -0.50 -2.71 114.58 115.85 1n3n h GLU 63 Ca 0.57 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 60.25 1n3n h GLU 63 Cb 1.34 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 1n3n h GLU 63 CO -0.29 0.89 0.44 1.15 -1.16 0.00 0.00 179.01 180.03 1n3n h THR 64 N -0.65 0.92 0.12 1.13 2.02 0.13 0.13 112.91 116.71 1n3n h THR 64 Ca -0.02 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1n3n h THR 64 Cb 0.94 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1n3n h THR 64 CO 0.03 0.10 -0.06 1.56 0.37 0.00 0.00 175.52 177.52 1n3n h GLN 65 N 0.52 -0.16 -0.55 6.66 1.08 -0.71 0.07 115.11 122.02 1n3n h GLN 65 Ca 0.30 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.58 1n3n h GLN 65 Cb 0.49 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1n3n h GLN 65 CO -0.09 -0.08 0.23 0.87 -0.95 0.00 0.00 178.83 178.81 1n3n h LYS 66 N -0.19 0.42 -0.47 1.46 1.57 -0.53 -0.05 116.57 118.80 1n3n h LYS 66 Ca -0.02 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1n3n h LYS 66 Cb 0.15 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1n3n h LYS 66 CO 0.03 0.28 0.17 0.00 -0.57 0.00 0.00 179.45 179.36 1n3n h ALA 67 N 1.35 0.57 -0.50 3.86 0.00 -0.55 0.63 119.26 124.62 1n3n h ALA 67 Ca 0.26 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1n3n h ALA 67 Cb 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1n3n h ALA 67 CO -0.24 -0.21 0.34 0.87 0.00 0.00 0.00 179.25 180.01 1n3n h LYS 68 N 0.35 0.22 -0.07 0.00 1.79 0.47 0.26 116.57 119.60 1n3n h LYS 68 Ca 0.22 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1n3n h LYS 68 Cb 0.21 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1n3n h LYS 68 CO -0.22 0.15 -0.04 0.78 -1.08 0.00 0.00 179.45 179.04 1n3n h GLY 69 N 0.23 0.16 0.87 3.86 0.00 0.19 -3.09 103.07 105.29 1n3n h GLY 69 Ca 0.23 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1n3n h GLY 69 CO -0.04 0.14 -0.09 1.46 0.00 0.00 0.00 176.54 178.00 1n3n h GLN 70 N -0.25 -0.19 -0.98 4.80 1.08 0.47 -2.47 115.11 117.58 1n3n h GLN 70 Ca 0.01 0.01 0.23 0.00 -1.45 0.00 0.00 58.65 57.45 1n3n h GLN 70 Cb 0.50 0.04 -0.19 0.00 -0.05 0.00 0.00 27.48 27.79 1n3n h GLN 70 CO 0.01 -0.12 -0.14 -1.91 -0.95 0.00 0.00 178.83 175.72 1n3n n GLU 71 N -5.21 -0.08 -0.20 1.46 2.13 -0.03 -0.54 120.64 118.17 1n3n n GLU 71 Ca -0.07 1.51 -0.09 0.00 0.66 0.00 0.00 57.16 59.17 1n3n n GLU 71 Cb 0.13 -2.31 0.02 0.00 0.27 0.00 0.00 31.44 29.55 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 0.95 -0.01 5.31 1.08 -1.36 0.46 115.11 121.54 1n3n h GLN 72 Ca 0.52 -0.27 0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1n3n h GLN 72 Cb 0.92 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1n3n h GLN 72 CO -0.98 0.93 -0.05 2.35 -0.95 0.00 0.00 178.83 180.13 1n3n h TRP 73 N 0.84 -0.12 0.17 2.96 7.01 -0.55 -1.62 115.95 124.64 1n3n h TRP 73 Ca 0.17 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1n3n h TRP 73 Cb 0.45 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1n3n h TRP 73 CO 0.03 -0.08 -0.08 0.74 -2.79 0.00 0.00 178.44 176.27 1n3n h PHE 74 N -0.08 -0.21 -0.98 2.65 -1.00 -1.07 0.30 116.94 116.56 1n3n h PHE 74 Ca 0.02 -0.00 0.33 0.00 2.81 0.00 0.00 57.97 61.13 1n3n h PHE 74 Cb 0.11 0.07 -0.16 0.00 3.61 0.00 0.00 35.95 39.58 1n3n h PHE 74 CO -0.12 -0.12 0.42 -0.09 -1.61 0.00 0.00 178.31 176.79 1n3n h ARG 75 N -0.23 0.16 0.10 1.51 2.43 -0.64 0.24 114.38 117.95 1n3n h ARG 75 Ca -0.02 -0.01 -0.33 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 0.04 0.11 -1.74 0.28 -1.51 0.00 0.00 179.97 177.14 1n3n h VAL 76 N 0.16 0.89 -0.66 0.20 2.07 -0.95 -3.18 116.25 114.79 1n3n h VAL 76 Ca 0.71 -2.60 0.03 0.00 0.82 0.00 0.00 66.70 65.67 1n3n h VAL 76 Cb 1.67 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 34.01 1n3n h VAL 76 CO -0.71 0.78 0.41 0.28 0.02 0.00 0.00 177.57 178.35 1n3n h SER 77 N 0.06 0.66 -0.41 0.57 0.02 0.29 -1.19 113.55 113.55 1n3n h SER 77 Ca -0.32 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1n3n h SER 77 Cb 2.03 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 64.38 1n3n h SER 77 CO 0.12 0.46 0.07 0.25 -1.14 0.00 0.00 176.83 176.59 1n3n h LEU 78 N 0.79 -0.01 -0.48 5.07 5.85 -0.71 0.44 115.31 126.26 1n3n h LEU 78 Ca 0.27 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.11 1n3n h LEU 78 Cb 0.04 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1n3n h LEU 78 CO -0.11 0.03 0.23 0.03 -0.34 0.00 0.00 178.44 178.27 1n3n h ARG 79 N 0.20 0.44 0.10 1.25 3.08 -1.23 -1.59 114.38 116.63 1n3n h ARG 79 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1n3n h ARG 79 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1n3n h ARG 79 CO -0.27 0.29 -0.05 -0.91 -1.07 0.00 0.00 179.97 177.96 1n3n h ASN 80 N 0.45 -0.11 -0.50 7.04 4.21 -0.36 -2.96 115.58 123.34 1n3n h ASN 80 Ca 0.21 -0.16 0.09 0.00 1.21 0.00 0.00 56.30 57.65 1n3n h ASN 80 Cb 0.14 0.03 -0.10 0.00 -1.12 0.00 0.00 38.32 37.27 1n3n h ASN 80 CO -0.16 0.09 -0.36 -0.07 -1.29 0.00 0.00 177.43 175.64 1n3n h LEU 81 N -0.32 -1.24 -0.97 1.61 3.38 0.02 0.17 115.31 117.95 1n3n h LEU 81 Ca -0.01 0.22 0.22 0.00 0.09 0.00 0.00 57.88 58.40 1n3n h LEU 81 Cb 0.27 0.58 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 1n3n h LEU 81 CO 0.02 -0.33 -0.13 -0.11 0.09 0.00 0.00 178.44 177.98 1n3n n LEU 82 N -5.42 -0.25 -0.02 1.67 7.94 -0.61 0.26 117.00 120.57 1n3n n LEU 82 Ca 0.02 1.66 -0.10 0.00 -1.11 0.00 0.00 56.01 56.48 1n3n n LEU 82 Cb 0.35 -0.55 0.04 0.00 0.53 0.00 0.00 43.42 43.79 1n3n n LEU 82 CO 0.03 -1.63 0.48 1.23 -1.11 0.00 0.00 177.39 176.38 1n3n h GLY 83 N 0.00 0.69 0.84 -3.96 0.00 -0.61 -2.22 103.07 97.82 1n3n h GLY 83 Ca 0.52 -0.80 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1n3n h GLY 83 CO -0.97 0.72 0.15 -0.97 0.00 0.00 0.00 176.54 175.47 1n3n h TYR 84 N 0.49 0.28 -0.26 5.60 0.05 0.17 -1.07 116.97 122.23 1n3n h TYR 84 Ca 0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1n3n h TYR 84 Cb 1.09 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.75 1n3n h TYR 84 CO 0.05 0.15 0.00 0.66 -1.05 0.00 0.00 178.16 177.97 1n3n n TYR 85 N -4.96 0.59 -2.68 4.88 4.01 -0.52 -4.88 117.16 113.60 1n3n n TYR 85 Ca -0.00 -0.24 -0.16 0.00 -0.16 0.00 0.00 57.90 57.34 1n3n n TYR 85 Cb 0.08 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.30 -4.07 -4.66 7.72 4.05 -0.41 -4.89 115.26 113.30 1n3n n ASN 86 Ca 0.10 0.03 -0.43 0.00 0.45 0.00 0.00 54.58 54.73 1n3n n ASN 86 Cb 0.42 -3.42 -0.03 0.00 1.23 0.00 0.00 39.78 37.99 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 -5.29 4.27 1.23 1.20 -0.21 -0.85 -5.02 119.66 114.99 1n3n s GLN 87 Ca 0.11 1.26 -0.20 0.00 0.02 0.00 0.00 55.36 56.55 1n3n s GLN 87 Cb -0.06 -3.62 0.30 0.00 1.00 0.00 0.00 33.01 30.63 1n3n s GLN 87 CO 0.13 -0.55 1.08 -1.12 -2.12 0.00 0.00 175.29 172.72 1n3n s SER 88 N 1.21 0.67 0.56 5.90 0.01 -1.26 -4.76 113.70 116.02 1n3n s SER 88 Ca 0.42 0.68 -0.15 0.00 1.31 0.00 0.00 55.95 58.22 1n3n s SER 88 Cb -0.16 -0.95 -0.06 0.00 0.21 0.00 0.00 66.02 65.06 1n3n s SER 88 CO 0.08 -4.28 1.00 0.00 0.41 0.00 0.00 173.24 170.45 1n3n s ALA 89 N -2.90 3.07 0.00 1.44 0.00 -1.26 -4.33 121.76 117.78 1n3n s ALA 89 Ca 0.70 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1n3n s ALA 89 Cb -0.10 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1n3n s ALA 89 CO 0.56 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1n3n n GLY 90 N -1.99 0.93 3.95 0.00 0.00 -1.26 -5.11 105.19 101.71 1n3n n GLY 90 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1n3n n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n3n s GLY 91 N -0.85 2.15 -0.10 -0.02 0.00 -1.26 -4.77 107.32 102.48 1n3n s GLY 91 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1n3n s GLY 91 CO 0.00 -1.85 -0.09 -0.45 0.00 0.00 0.00 173.10 170.71 1n3n s SER 92 N -4.41 4.39 0.13 1.64 0.15 -1.26 -3.39 113.70 110.95 1n3n s SER 92 Ca 0.44 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1n3n s SER 92 Cb -0.03 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.89 1n3n s SER 92 CO 0.27 0.27 0.00 -1.00 1.20 0.00 0.00 173.24 173.99 1n3n s HIS 93 N -0.27 0.93 -0.01 3.44 4.02 -0.34 -4.99 115.29 118.07 1n3n s HIS 93 Ca 0.03 -1.08 0.00 0.00 1.02 0.00 0.00 55.06 55.03 1n3n s HIS 93 Cb -0.13 -0.54 0.01 0.00 -1.02 0.00 0.00 32.58 30.90 1n3n s HIS 93 CO 0.03 -0.33 -0.01 0.99 1.02 0.00 0.00 174.74 176.44 1n3n s THR 94 N -3.82 0.12 -0.19 1.30 2.01 -1.26 -1.10 115.64 112.69 1n3n s THR 94 Ca 0.19 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1n3n s THR 94 Cb 0.07 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.47 1n3n s THR 94 CO -0.00 0.06 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.63 1n3n s LEU 95 N 0.31 2.21 0.03 4.42 0.20 -0.18 -1.36 118.68 124.29 1n3n s LEU 95 Ca -0.03 -0.77 0.05 0.00 0.69 0.00 0.00 54.13 54.08 1n3n s LEU 95 Cb -0.05 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1n3n s LEU 95 CO -0.01 -0.08 -0.13 -1.10 -0.29 0.00 0.00 176.35 174.74 1n3n s GLN 96 N 1.36 2.29 -0.03 1.98 -0.21 0.32 -1.29 119.66 124.08 1n3n s GLN 96 Ca 0.01 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 1n3n s GLN 96 Cb -0.15 -2.33 0.03 0.00 1.00 0.00 0.00 33.01 31.56 1n3n s GLN 96 CO -0.10 0.57 0.06 -1.14 -2.12 0.00 0.00 175.29 172.56 1n3n s GLN 97 N -1.45 -0.00 -0.12 2.91 0.74 0.12 0.10 119.66 121.96 1n3n s GLN 97 Ca 0.16 0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.83 1n3n s GLN 97 Cb -0.11 -0.22 -0.00 0.00 1.10 0.00 0.00 33.01 33.78 1n3n s GLN 97 CO 0.07 -0.16 -0.20 -1.64 -0.55 0.00 0.00 175.29 172.80 1n3n s MET 98 N 1.08 3.14 0.01 1.67 -1.94 -0.47 0.03 119.30 122.82 1n3n s MET 98 Ca -0.09 -0.82 -0.06 0.00 -1.71 0.00 0.00 55.69 53.02 1n3n s MET 98 Cb -0.12 -2.43 -0.00 0.00 2.01 0.00 0.00 34.83 34.28 1n3n s MET 98 CO -0.04 0.14 0.11 -1.54 -0.01 0.00 0.00 175.02 173.68 1n3n s SER 99 N 0.46 0.08 0.00 3.03 1.04 -1.07 -1.07 113.70 116.18 1n3n s SER 99 Ca -0.14 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1n3n s SER 99 Cb -0.17 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1n3n s SER 99 CO 0.06 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1n3n n GLY 100 N 1.39 -0.82 3.27 7.32 0.00 0.08 0.08 105.19 116.50 1n3n n GLY 100 Ca -0.23 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.93 4.13 0.01 0.00 1.01 -0.35 -1.97 116.67 117.57 1n3n s ASP 102 Ca -0.06 -0.26 0.07 0.00 0.71 0.00 0.00 52.55 53.00 1n3n s ASP 102 Cb -0.01 -0.83 -0.02 0.00 1.01 0.00 0.00 42.92 43.06 1n3n s ASP 102 CO -0.02 0.30 -0.20 -0.76 0.21 0.00 0.00 175.17 174.70 1n3n s LEU 103 N -1.19 2.10 0.00 1.23 1.43 0.09 -0.58 118.68 121.77 1n3n s LEU 103 Ca 0.14 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1n3n s LEU 103 Cb -0.11 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1n3n s LEU 103 CO 0.04 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1n3n n GLY 104 N 2.22 -2.04 0.12 -3.19 0.00 -0.65 -1.92 105.19 99.72 1n3n n GLY 104 Ca -0.16 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.21 0.69 -0.10 1.61 7.64 -1.26 -2.14 113.62 117.85 1n3n n SER 105 Ca 0.00 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.63 1n3n n SER 105 Cb 0.00 -0.79 0.30 0.00 -1.01 0.00 0.00 64.21 62.71 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 -2.22 0.71 0.00 6.43 5.75 -1.26 -4.72 116.55 121.25 1n3n n ASP 106 Ca 0.03 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 1n3n n ASP 106 Cb 0.30 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 -1.15 0.00 -1.87 2.11 7.02 -0.91 -5.04 117.44 117.60 1n3n n TRP 107 Ca 0.08 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.25 1n3n n TRP 107 Cb 0.34 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.25 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 -0.23 3.38 0.93 -0.99 0.52 -1.26 -4.69 118.95 116.60 1n3n s ARG 108 Ca 0.00 0.93 -0.11 0.00 -0.52 0.00 0.00 55.73 56.03 1n3n s ARG 108 Cb 0.00 -2.05 0.13 0.00 0.52 0.00 0.00 34.95 33.55 1n3n s ARG 108 CO 0.00 -0.75 0.98 -0.11 0.02 0.00 0.00 175.30 175.44 1n3n n LEU 109 N -2.59 2.45 0.00 2.53 7.94 -1.26 -1.64 117.00 124.43 1n3n n LEU 109 Ca 0.07 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1n3n n LEU 109 Cb 0.54 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.07 1n3n n LEU 109 CO 0.54 -2.51 0.00 0.18 -1.11 0.00 0.00 177.39 174.48 1n3n n LEU 110 N -3.61 0.00 -3.55 -1.96 4.77 0.25 -4.58 117.00 108.33 1n3n n LEU 110 Ca 0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1n3n n LEU 110 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1n3n n LEU 110 CO 0.49 0.00 0.73 -0.60 -1.33 0.00 0.00 177.39 176.69 1n3n s ARG 111 N -1.00 0.69 0.10 3.23 3.52 -1.22 -4.98 118.95 119.29 1n3n s ARG 111 Ca 0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.65 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 -0.25 -0.09 0.20 -0.81 0.00 0.00 175.30 174.35 1n3n s GLY 112 N -1.63 1.81 -0.05 8.12 0.00 -1.26 -1.21 107.32 113.10 1n3n s GLY 112 Ca 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.52 1n3n s GLY 112 CO -0.02 -1.19 -0.08 -0.19 0.00 0.00 0.00 173.10 171.62 1n3n s TYR 113 N -1.22 1.06 -0.30 1.90 2.02 0.74 -4.87 117.35 116.69 1n3n s TYR 113 Ca 0.22 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1n3n s TYR 113 Cb -0.11 -0.84 0.17 0.00 -0.40 0.00 0.00 41.96 40.78 1n3n s TYR 113 CO 0.14 -0.22 0.43 -1.17 -1.57 0.00 0.00 175.55 173.16 1n3n s LEU 114 N 0.76 -0.86 0.09 -1.29 1.98 -1.25 -0.74 118.68 117.36 1n3n s LEU 114 Ca -0.13 -0.41 0.04 0.00 -2.89 0.00 0.00 54.13 50.74 1n3n s LEU 114 Cb -0.15 1.20 -0.03 0.00 0.66 0.00 0.00 46.19 47.87 1n3n s LEU 114 CO 0.02 -0.34 -0.11 0.00 -1.89 0.00 0.00 176.35 174.03 1n3n s GLN 115 N 2.49 0.83 0.12 1.98 -2.07 -0.23 0.20 119.66 122.98 1n3n s GLN 115 Ca 0.10 -1.09 0.08 0.00 -1.82 0.00 0.00 55.36 52.63 1n3n s GLN 115 Cb -0.12 -0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 31.16 1n3n s GLN 115 CO -0.28 0.11 -0.20 -0.06 -1.32 0.00 0.00 175.29 173.54 1n3n s PHE 116 N -2.10 1.79 -0.01 9.60 0.40 0.22 -1.36 117.98 126.52 1n3n s PHE 116 Ca 0.03 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1n3n s PHE 116 Cb -0.05 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.53 1n3n s PHE 116 CO 0.01 0.23 -0.01 0.00 0.70 0.00 0.00 175.22 176.15 1n3n s ALA 117 N -1.37 0.18 -0.19 5.36 0.00 0.12 -0.34 121.76 125.50 1n3n s ALA 117 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1n3n s ALA 117 Cb -0.09 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1n3n s ALA 117 CO 0.05 -0.01 -0.19 -0.47 0.00 0.00 0.00 175.76 175.14 1n3n s TYR 118 N 0.34 2.84 -0.43 0.00 5.04 0.00 -0.52 117.35 124.63 1n3n s TYR 118 Ca -0.03 -1.73 0.00 0.00 -2.44 0.00 0.00 57.07 52.87 1n3n s TYR 118 Cb -0.05 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.33 1n3n s TYR 118 CO -0.01 -0.82 0.00 0.39 -1.34 0.00 0.00 175.55 173.78 1n3n n GLU 119 N 4.60 -0.32 -0.06 4.97 -0.58 -0.47 -2.75 120.64 126.03 1n3n n GLU 119 Ca -0.20 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 1n3n n GLU 119 Cb 0.49 -4.26 0.00 0.00 -0.57 0.00 0.00 31.44 27.10 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 -2.41 1.06 3.92 0.62 0.00 -1.26 -4.99 105.19 102.13 1n3n n GLY 120 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.62 3.46 0.31 1.61 0.52 -1.11 -5.04 118.95 118.08 1n3n s ARG 121 Ca 0.00 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1n3n s ARG 121 Cb 0.00 -2.99 -0.12 0.00 0.52 0.00 0.00 34.95 32.36 1n3n s ARG 121 CO 0.00 0.56 1.55 -0.25 0.02 0.00 0.00 175.30 177.18 1n3n n ASP 122 N 0.03 3.72 0.02 0.23 9.92 -1.26 -0.82 116.55 128.38 1n3n n ASP 122 Ca -0.05 1.17 -0.02 0.00 -0.53 0.00 0.00 54.79 55.36 1n3n n ASP 122 Cb 0.52 -1.58 -0.01 0.00 -0.64 0.00 0.00 41.12 39.41 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 1.69 0.00 -3.66 1.24 9.36 0.53 -4.61 117.16 121.71 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 0.37 -0.09 -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 -2.02 0.00 0.03 2.97 2.07 -1.17 -0.88 121.20 122.20 1n3n s ILE 124 Ca -0.05 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.11 1n3n s ILE 124 Cb 0.01 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 1n3n s ILE 124 CO 0.08 -0.02 0.05 0.00 -1.91 0.00 0.00 174.94 173.14 1n3n s ALA 125 N -0.03 0.02 -0.03 1.50 0.00 -1.07 0.73 121.76 122.89 1n3n s ALA 125 Ca -0.03 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 1n3n s ALA 125 Cb -0.04 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1n3n s ALA 125 CO 0.02 -0.27 0.76 -1.17 0.00 0.00 0.00 175.76 175.10 1n3n s LEU 126 N -1.98 4.36 0.94 0.00 2.96 0.13 -2.27 118.68 122.81 1n3n s LEU 126 Ca -0.07 1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 55.04 1n3n s LEU 126 Cb -0.03 -3.19 0.15 0.00 0.50 0.00 0.00 46.19 43.62 1n3n s LEU 126 CO -0.04 -0.10 1.09 0.20 -1.32 0.00 0.00 176.35 176.19 1n3n s ASN 127 N 0.61 3.17 0.35 3.68 0.01 -0.49 -4.54 114.94 117.72 1n3n s ASN 127 Ca 0.40 1.33 0.09 0.00 -0.71 0.00 0.00 52.86 53.97 1n3n s ASN 127 Cb -0.19 -2.00 0.82 0.00 0.41 0.00 0.00 41.25 40.29 1n3n s ASN 127 CO 0.21 -2.81 1.85 -0.33 -1.51 0.00 0.00 177.10 174.50 1n3n h GLU 128 N -1.67 0.67 0.00 -0.60 4.39 -1.89 -0.54 114.58 114.94 1n3n h GLU 128 Ca -0.51 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1n3n h GLU 128 Cb 1.30 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1n3n h GLU 128 CO 0.56 0.44 0.00 -0.40 -1.16 0.00 0.00 179.01 178.46 1n3n n ASP 129 N -4.60 0.64 -1.46 1.42 5.68 -1.26 -4.76 116.55 112.21 1n3n n ASP 129 Ca 0.19 0.73 -0.19 0.00 -0.50 0.00 0.00 54.79 55.02 1n3n n ASP 129 Cb 0.52 -0.84 -0.08 0.00 -1.14 0.00 0.00 41.12 39.58 1n3n n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n3n n LEU 130 N -2.28 -1.38 0.00 -2.12 4.32 -0.21 -4.77 117.00 110.55 1n3n n LEU 130 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1n3n n LEU 130 Cb 0.13 -2.62 0.00 0.00 -1.62 0.00 0.00 43.42 39.31 1n3n n LEU 130 CO 0.15 -0.94 -0.34 0.29 -1.22 0.00 0.00 177.39 175.33 1n3n n LYS 131 N -2.48 2.67 -4.45 3.23 5.02 -1.26 -4.60 118.16 116.29 1n3n n LYS 131 Ca -0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.86 1n3n n LYS 131 Cb 0.62 -0.84 -0.10 0.00 -0.02 0.00 0.00 35.03 34.69 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 -1.66 2.58 0.56 -0.18 -4.23 -1.26 -4.94 115.64 106.51 1n3n s THR 132 Ca 0.00 -2.28 0.04 0.00 -1.18 0.00 0.00 61.69 58.28 1n3n s THR 132 Cb 0.00 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1n3n s THR 132 CO 0.00 -0.35 0.36 0.79 -0.54 0.00 0.00 174.62 174.88 1n3n n TRP 133 N -0.71 -0.29 -3.41 3.99 7.02 -1.26 -1.40 117.44 121.38 1n3n n TRP 133 Ca -0.05 -2.42 -0.10 0.00 -1.02 0.00 0.00 57.50 53.91 1n3n n TRP 133 Cb 0.61 -0.44 -0.09 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.81 -0.57 -0.35 -0.99 2.01 -0.96 -4.82 115.64 107.15 1n3n s THR 134 Ca 0.27 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 1n3n s THR 134 Cb -0.02 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.73 1n3n s THR 134 CO 0.17 -0.10 0.21 0.00 -0.69 0.00 0.00 174.62 174.21 1n3n s ALA 135 N 2.52 3.36 0.27 7.40 0.00 -1.26 -2.60 121.76 131.45 1n3n s ALA 135 Ca 0.10 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1n3n s ALA 135 Cb -0.15 -2.59 0.53 0.00 0.00 0.00 0.00 23.12 20.91 1n3n s ALA 135 CO -0.15 -1.16 1.60 0.00 0.00 0.00 0.00 175.76 176.05 1n3n h ALA 136 N 8.45 0.86 -2.96 0.00 0.00 -1.26 -3.45 119.26 120.90 1n3n h ALA 136 Ca -0.29 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n3n h ALA 136 Cb 1.13 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n3n h ALA 136 CO 0.65 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1n3n n ASP 137 N -5.46 0.00 0.15 0.00 5.68 -1.26 -5.02 116.55 110.64 1n3n n ASP 137 Ca 0.17 -0.84 -0.14 0.00 -0.50 0.00 0.00 54.79 53.48 1n3n n ASP 137 Cb 0.57 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.34 -0.65 0.11 2.86 -1.99 -1.78 114.93 113.15 1n3n h MET 138 Ca 0.00 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 1n3n h MET 138 Cb 0.00 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.63 1n3n h MET 138 CO 0.00 -0.22 0.01 0.00 1.06 0.00 0.00 176.91 177.76 1n3n h ALA 139 N 0.42 0.65 0.00 6.32 0.00 -1.97 0.36 119.26 125.05 1n3n h ALA 139 Ca -0.02 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n3n h ALA 139 Cb 0.29 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1n3n h ALA 139 CO 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 179.25 178.86 1n3n h ALA 140 N 1.59 1.69 0.46 0.00 0.00 -1.73 -1.99 119.26 119.29 1n3n h ALA 140 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1n3n h ALA 140 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1n3n h ALA 140 CO -0.55 0.02 -0.37 1.96 0.00 0.00 0.00 179.25 180.31 1n3n h GLN 141 N 0.00 -0.80 -0.51 0.00 1.08 0.58 0.54 115.11 116.00 1n3n h GLN 141 Ca -0.00 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.36 1n3n h GLN 141 Cb 0.03 0.18 -0.10 0.00 -0.05 0.00 0.00 27.48 27.54 1n3n h GLN 141 CO 0.00 -0.53 -0.23 0.82 -0.95 0.00 0.00 178.83 177.94 1n3n h ILE 142 N -0.83 0.33 -0.03 2.54 2.04 -1.29 0.53 117.51 120.80 1n3n h ILE 142 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1n3n h ILE 142 Cb 0.71 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1n3n h ILE 142 CO -0.01 0.00 0.01 0.74 0.00 0.00 0.00 178.15 178.89 1n3n h THR 143 N -0.11 0.99 -0.28 -0.27 2.02 -1.20 -1.56 112.91 112.50 1n3n h THR 143 Ca 0.24 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.47 1n3n h THR 143 Cb 0.48 0.97 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 1n3n h THR 143 CO -0.58 0.00 -0.20 -0.09 0.37 0.00 0.00 175.52 175.02 1n3n h ARG 144 N 0.02 -0.18 -0.41 6.66 2.43 0.23 -0.68 114.38 122.45 1n3n h ARG 144 Ca 0.01 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1n3n h ARG 144 Cb 0.01 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1n3n h ARG 144 CO -0.02 -0.12 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.11 1n3n h ARG 145 N -0.19 -0.02 -0.71 0.20 9.65 0.26 -0.31 114.38 123.27 1n3n h ARG 145 Ca 0.15 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.06 1n3n h ARG 145 Cb 0.42 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.96 1n3n h ARG 145 CO -0.39 -0.01 0.44 -0.22 2.80 0.00 0.00 179.97 182.59 1n3n h LYS 146 N -0.02 0.83 0.00 0.20 3.64 -0.62 -2.36 116.57 118.24 1n3n h LYS 146 Ca 0.20 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1n3n h LYS 146 Cb 0.33 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1n3n h LYS 146 CO -0.44 0.55 -0.09 -1.49 -2.27 0.00 0.00 179.45 175.71 1n3n h TRP 147 N 0.86 0.00 0.00 1.91 4.06 0.31 -3.07 115.95 120.02 1n3n h TRP 147 Ca 0.29 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.24 1n3n h TRP 147 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1n3n h TRP 147 CO -0.04 0.09 -0.00 0.93 -3.56 0.00 0.00 178.44 175.85 1n3n h GLU 148 N 0.00 -0.00 0.00 0.49 5.08 -0.67 -2.60 114.58 116.88 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 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1n3n h GLU 148 CO 0.01 0.80 0.05 1.04 -1.00 0.00 0.00 179.01 179.91 1n3n n GLN 149 N -4.65 0.00 -0.03 2.33 6.02 -0.93 0.03 117.38 120.15 1n3n n GLN 149 Ca -0.08 0.39 0.01 0.00 -0.01 0.00 0.00 57.00 57.31 1n3n n GLN 149 Cb 0.39 -1.55 0.03 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.38 1.80 -1.34 1.08 3.41 -1.17 -4.97 113.62 111.05 1n3n n SER 150 Ca 0.00 -1.61 -0.13 0.00 -0.26 0.00 0.00 58.87 56.86 1n3n n SER 150 Cb 0.05 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.05 1.29 0.49 5.00 0.00 0.10 -4.75 105.19 107.27 1n3n n GLY 151 Ca 0.02 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 0.61 2.76 -0.79 4.61 0.00 -1.72 0.15 119.26 124.89 1n3n h ALA 152 Ca -0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1n3n h ALA 152 Cb 0.92 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1n3n h ALA 152 CO 0.40 -1.33 0.51 0.00 0.00 0.00 0.00 179.25 178.84 1n3n h ALA 153 N 1.15 1.03 -0.93 0.00 0.00 -1.86 -1.71 119.26 116.94 1n3n h ALA 153 Ca 0.43 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1n3n h ALA 153 Cb 2.14 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 1n3n h ALA 153 CO -0.00 0.36 0.59 0.93 0.00 0.00 0.00 179.25 181.12 1n3n h GLU 154 N 1.02 1.04 -0.53 0.00 5.08 -0.94 -0.52 114.58 119.73 1n3n h GLU 154 Ca 0.31 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1n3n h GLU 154 Cb -0.04 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 28.92 1n3n h GLU 154 CO -0.09 0.69 0.23 1.25 -1.00 0.00 0.00 179.01 180.09 1n3n h HIS 155 N 1.08 0.42 -0.30 4.33 2.76 -1.39 0.42 115.15 122.46 1n3n h HIS 155 Ca 0.40 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.51 1n3n h HIS 155 Cb 0.16 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1n3n h HIS 155 CO -0.02 0.18 -0.16 1.88 -1.30 0.00 0.00 177.93 178.51 1n3n h TYR 156 N 0.45 0.74 -0.96 5.26 0.05 -1.20 -2.97 116.97 118.35 1n3n h TYR 156 Ca 0.24 -0.19 0.13 0.00 0.05 0.00 0.00 58.73 58.97 1n3n h TYR 156 Cb 0.21 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 37.70 1n3n h TYR 156 CO -0.13 0.88 0.61 -0.22 -1.05 0.00 0.00 178.16 178.25 1n3n h LYS 157 N 0.40 0.86 0.22 4.88 3.64 -0.43 0.26 116.57 126.40 1n3n h LYS 157 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1n3n h LYS 157 Cb 0.69 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1n3n h LYS 157 CO 0.05 0.57 -0.11 0.00 -2.27 0.00 0.00 179.45 177.69 1n3n h ALA 158 N 1.56 -0.30 -0.24 5.00 0.00 -0.83 -1.89 119.26 122.56 1n3n h ALA 158 Ca 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1n3n h ALA 158 Cb 0.57 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1n3n h ALA 158 CO -0.24 -0.59 0.15 -0.92 0.00 0.00 0.00 179.25 177.65 1n3n h TYR 159 N -0.45 0.30 -0.76 0.00 3.20 -1.01 0.30 116.97 118.56 1n3n h TYR 159 Ca -0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1n3n h TYR 159 Cb 0.34 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1n3n h TYR 159 CO -0.02 0.21 0.49 -0.07 -1.64 0.00 0.00 178.16 177.13 1n3n h LEU 160 N 0.32 0.88 0.00 2.82 3.38 -0.54 -0.93 115.31 121.23 1n3n h LEU 160 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1n3n h LEU 160 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1n3n h LEU 160 CO -0.02 0.65 -0.67 -0.33 0.09 0.00 0.00 178.44 178.16 1n3n h GLU 161 N 1.03 0.00 0.00 1.13 5.08 -1.28 -3.37 114.58 117.16 1n3n h GLU 161 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1n3n h GLU 161 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1n3n h GLU 161 CO -0.06 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1n3n n GLY 162 N 1.19 -0.07 0.34 -3.84 0.00 0.09 -4.49 105.19 98.41 1n3n n GLY 162 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1n3n n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n3n h GLU 163 N 0.00 0.02 -0.29 1.61 4.81 -1.68 0.44 114.58 119.49 1n3n h GLU 163 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1n3n h GLU 163 Cb 0.00 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1n3n h GLU 163 CO 0.00 0.01 -0.12 0.00 -0.73 0.00 0.00 179.01 178.17 1n3n h VAL 165 N -0.07 1.32 -0.29 0.00 2.07 -0.75 -1.51 116.25 117.01 1n3n h VAL 165 Ca 0.15 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.23 1n3n h VAL 165 Cb 0.30 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1n3n h VAL 165 CO -0.34 0.46 0.10 -0.08 0.02 0.00 0.00 177.57 177.73 1n3n h GLU 166 N 0.28 0.23 -0.17 1.57 4.81 0.24 -1.79 114.58 119.74 1n3n h GLU 166 Ca 0.03 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1n3n h GLU 166 Cb 0.85 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1n3n h GLU 166 CO 0.07 0.15 -0.55 -1.49 -0.73 0.00 0.00 179.01 176.46 1n3n h TRP 167 N 0.23 0.63 -0.63 0.92 4.06 -0.37 -2.74 115.95 118.05 1n3n h TRP 167 Ca 0.13 -0.22 0.05 0.00 2.06 0.00 0.00 58.89 60.91 1n3n h TRP 167 Cb 0.10 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.09 1n3n h TRP 167 CO -0.13 0.94 0.36 1.25 -3.56 0.00 0.00 178.44 177.29 1n3n h LEU 168 N 0.39 0.54 -0.04 -4.49 5.85 -0.97 0.29 115.31 116.87 1n3n h LEU 168 Ca 0.01 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1n3n h LEU 168 Cb 1.08 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1n3n h LEU 168 CO 0.10 0.36 -0.10 0.45 -0.34 0.00 0.00 178.44 178.91 1n3n h HIS 169 N 0.67 -0.24 0.09 1.25 3.86 -1.21 0.53 115.15 120.09 1n3n h HIS 169 Ca 0.28 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1n3n h HIS 169 Cb 0.15 0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1n3n h HIS 169 CO -0.08 -0.15 -0.52 -0.09 0.86 0.00 0.00 177.93 177.96 1n3n h ARG 170 N -0.15 -0.70 -0.18 2.45 9.65 -0.98 -0.79 114.38 123.70 1n3n h ARG 170 Ca 0.05 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.03 1n3n h ARG 170 Cb 0.21 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.88 1n3n h ARG 170 CO -0.13 -0.46 -0.35 1.88 2.80 0.00 0.00 179.97 183.71 1n3n h TYR 171 N -0.72 -0.97 -1.01 2.20 0.05 -0.17 -0.20 116.97 116.15 1n3n h TYR 171 Ca 0.00 0.04 0.24 0.00 0.05 0.00 0.00 58.73 59.07 1n3n h TYR 171 Cb 0.74 0.45 -0.12 0.00 1.01 0.00 0.00 36.73 38.82 1n3n h TYR 171 CO -0.46 -0.42 0.61 -0.07 -1.05 0.00 0.00 178.16 176.77 1n3n h LEU 172 N -0.39 0.66 -1.45 3.88 4.07 -0.56 1.00 115.31 122.51 1n3n h LEU 172 Ca 0.10 0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 1n3n h LEU 172 Cb 0.56 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1n3n h LEU 172 CO -0.40 0.12 -0.25 0.11 -1.08 0.00 0.00 178.44 176.93 1n3n h LYS 173 N 0.57 0.00 0.04 1.13 1.57 0.45 -2.74 116.57 117.60 1n3n h LYS 173 Ca 0.63 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 59.09 1n3n h LYS 173 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1n3n h LYS 173 CO -0.44 0.25 -1.84 0.09 -0.57 0.00 0.00 179.45 176.94 1n3n n ASN 174 N -3.77 1.30 0.09 0.86 3.02 0.22 -3.99 115.26 112.98 1n3n n ASN 174 Ca -0.01 0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.92 1n3n n ASN 174 Cb 0.35 -0.32 0.33 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.72 -0.70 3.58 7.41 0.00 0.28 -4.30 105.19 113.18 1n3n n GLY 175 Ca -0.23 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1n3n n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n3n s ASN 176 N -3.57 4.49 0.00 1.61 0.01 -1.12 -3.06 114.94 113.29 1n3n s ASN 176 Ca -0.01 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.94 1n3n s ASN 176 Cb 0.03 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1n3n s ASN 176 CO 0.11 -3.59 0.00 0.00 -1.51 0.00 0.00 177.10 172.11 1n3n n ALA 177 N 16.22 0.84 -0.70 0.60 0.00 -1.26 -4.99 120.51 131.21 1n3n n ALA 177 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1n3n n ALA 177 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1n3n n ALA 177 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1n3n n THR 178 N -1.71 0.00 -0.05 0.00 5.66 -1.21 -4.96 114.28 112.01 1n3n n THR 178 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1n3n n THR 178 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 1n3n n THR 178 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1n3n n LEU 179 N 0.00 4.26 -0.01 1.09 7.94 -1.17 -3.41 117.00 125.70 1n3n n LEU 179 Ca 0.00 -2.21 -0.01 0.00 -1.11 0.00 0.00 56.01 52.68 1n3n n LEU 179 Cb 0.00 -0.64 -0.02 0.00 0.53 0.00 0.00 43.42 43.29 1n3n n LEU 179 CO 0.00 0.64 -0.57 0.18 -1.11 0.00 0.00 177.39 176.53 1n3n n LEU 180 N -0.06 0.00 -4.85 -1.96 4.77 -1.26 -4.92 117.00 108.72 1n3n n LEU 180 Ca 0.23 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 1n3n n LEU 180 Cb 0.94 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 1n3n n LEU 180 CO 0.25 0.05 0.39 -0.13 -1.33 0.00 0.00 177.39 176.62 1n3n s ARG 181 N -2.08 3.96 0.17 3.23 0.52 -1.22 -5.01 118.95 118.52 1n3n s ARG 181 Ca -0.01 0.60 0.10 0.00 -0.52 0.00 0.00 55.73 55.90 1n3n s ARG 181 Cb 0.01 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1n3n s ARG 181 CO 0.10 0.16 -0.21 0.95 0.02 0.00 0.00 175.30 176.32 1n3n s THR 182 N -1.99 2.05 -0.17 0.02 -4.23 -1.26 -4.99 115.64 105.06 1n3n s THR 182 Ca 0.53 -1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1n3n s THR 182 Cb -0.10 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 1n3n s THR 182 CO 0.19 -0.18 0.01 -1.81 -0.54 0.00 0.00 174.62 172.29 1n3n s ASP 183 N -2.56 5.20 0.02 3.99 1.01 0.11 -4.96 116.67 119.47 1n3n s ASP 183 Ca 0.17 -0.03 -0.27 0.00 0.71 0.00 0.00 52.55 53.13 1n3n s ASP 183 Cb -0.07 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 1n3n s ASP 183 CO 0.08 0.16 0.83 -0.44 0.21 0.00 0.00 175.17 176.01 1n3n s SER 184 N 0.41 7.24 0.21 0.27 0.01 -1.26 -1.25 113.70 119.32 1n3n s SER 184 Ca -0.00 1.49 -0.31 0.00 1.31 0.00 0.00 55.95 58.44 1n3n s SER 184 Cb -0.13 -2.50 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 1n3n s SER 184 CO 0.02 -0.10 1.56 -2.16 0.41 0.00 0.00 173.24 172.96 1n3n s PRO 185 N 0.43 4.21 0.02 12.44 0.04 -1.26 -4.61 135.00 146.26 1n3n s PRO 185 Ca 0.43 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.76 1n3n s PRO 185 Cb -0.20 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1n3n s PRO 185 CO 0.24 -0.58 0.36 0.21 0.04 0.00 0.00 177.00 177.27 1n3n s LYS 186 N 0.55 3.77 0.26 4.56 2.36 -0.21 -4.87 119.74 126.16 1n3n s LYS 186 Ca 0.67 0.22 0.04 0.00 -2.55 0.00 0.00 55.97 54.35 1n3n s LYS 186 Cb -0.44 -3.12 -0.05 0.00 -1.05 0.00 0.00 37.83 33.16 1n3n s LYS 186 CO 0.36 0.65 -0.00 0.00 1.55 0.00 0.00 175.35 177.91 1n3n s ALA 187 N -1.22 2.00 0.00 3.13 0.00 -1.26 -0.62 121.76 123.79 1n3n s ALA 187 Ca 0.27 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1n3n s ALA 187 Cb -0.15 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1n3n s ALA 187 CO 0.14 -0.23 0.00 -2.39 0.00 0.00 0.00 175.76 173.28 1n3n n HIS 188 N -0.49 0.00 -4.27 0.00 1.44 -0.97 -5.01 115.22 105.92 1n3n n HIS 188 Ca -0.05 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.43 1n3n n HIS 188 Cb 0.64 0.00 -0.07 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 3.57 0.01 0.61 1.01 -1.26 -0.53 120.40 121.81 1n3n s VAL 189 Ca 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.18 1n3n s VAL 189 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1n3n s VAL 189 CO 0.00 -0.34 -0.04 0.42 0.00 0.00 0.00 175.10 175.14 1n3n s THR 190 N -2.23 0.26 -0.13 3.92 -4.23 -0.83 -4.81 115.64 107.59 1n3n s THR 190 Ca 0.31 -0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 1n3n s THR 190 Cb -0.07 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 1n3n s THR 190 CO 0.20 -0.12 0.47 -2.28 -0.54 0.00 0.00 174.62 172.35 1n3n s HIS 191 N -0.55 3.50 -0.07 3.99 2.46 -1.26 -1.90 115.29 121.46 1n3n s HIS 191 Ca -0.04 0.86 -0.01 0.00 0.47 0.00 0.00 55.06 56.34 1n3n s HIS 191 Cb -0.04 -2.55 0.03 0.00 -0.13 0.00 0.00 32.58 29.89 1n3n s HIS 191 CO -0.00 0.15 0.00 -1.01 -2.47 0.00 0.00 174.74 171.41 1n3n s HIS 192 N 0.70 0.64 0.17 3.88 3.76 -0.43 -5.00 115.29 119.01 1n3n s HIS 192 Ca 0.25 -0.15 -0.32 0.00 -0.15 0.00 0.00 55.06 54.70 1n3n s HIS 192 Cb -0.15 -0.78 -0.11 0.00 1.11 0.00 0.00 32.58 32.65 1n3n s HIS 192 CO 0.10 -0.32 1.79 -0.35 -0.85 0.00 0.00 174.74 175.11 1n3n n PRO 193 N 5.10 2.82 -0.03 8.40 -0.04 -1.26 -0.13 135.00 149.85 1n3n n PRO 193 Ca -0.08 1.02 -0.03 0.00 -0.04 0.00 0.00 63.50 64.37 1n3n n PRO 193 Cb 0.50 -2.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.01 1n3n n PRO 193 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1n3n n ARG 194 N 4.89 2.80 0.00 0.54 3.00 -1.03 -4.79 116.66 122.08 1n3n n ARG 194 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1n3n n ARG 194 Cb 0.36 -1.18 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 -2.24 2.30 -4.49 6.15 3.41 -1.08 -4.94 113.62 112.73 1n3n n SER 195 Ca -0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.08 1n3n n SER 195 Cb 0.71 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 4.88 3.19 0.00 4.33 2.47 -1.26 -4.07 119.74 129.28 1n3n s LYS 196 Ca 0.00 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 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 -1.78 0.00 0.41 0.16 0.00 0.00 175.35 174.14 1n3n n GLY 197 N 5.27 0.92 3.80 5.54 0.00 -1.26 -4.97 105.19 114.49 1n3n n GLY 197 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.30 2.66 0.33 1.61 2.02 -1.26 0.98 118.70 124.75 1n3n s GLU 198 Ca 0.00 -1.30 0.01 0.00 0.02 0.00 0.00 54.97 53.70 1n3n s GLU 198 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1n3n s GLU 198 CO 0.00 0.20 0.39 0.14 0.02 0.00 0.00 175.26 176.00 1n3n s VAL 199 N -2.29 0.00 -0.07 2.63 -7.23 -0.64 -2.46 120.40 110.34 1n3n s VAL 199 Ca 0.37 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1n3n s VAL 199 Cb -0.06 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1n3n s VAL 199 CO 0.25 0.00 -0.10 0.42 -0.31 0.00 0.00 175.10 175.36 1n3n s THR 200 N -3.26 0.99 -0.12 5.32 -4.23 0.81 -0.41 115.64 114.75 1n3n s THR 200 Ca 0.35 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.41 1n3n s THR 200 Cb 0.01 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1n3n s THR 200 CO 0.22 0.33 0.10 -0.76 -0.54 0.00 0.00 174.62 173.97 1n3n s LEU 201 N 0.82 4.14 -0.24 4.79 1.43 -0.08 -1.31 118.68 128.22 1n3n s LEU 201 Ca -0.12 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1n3n s LEU 201 Cb -0.15 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1n3n s LEU 201 CO 0.02 0.38 -0.06 -0.60 0.23 0.00 0.00 176.35 176.31 1n3n s ARG 202 N -0.85 1.75 -0.23 1.70 6.06 -0.80 -1.71 118.95 124.88 1n3n s ARG 202 Ca 0.14 -1.07 -0.27 0.00 -2.50 0.00 0.00 55.73 52.03 1n3n s ARG 202 Cb -0.12 -2.66 0.00 0.00 0.06 0.00 0.00 34.95 32.24 1n3n s ARG 202 CO 0.03 -0.59 0.93 0.00 -2.50 0.00 0.00 175.30 173.16 1n3n s TRP 204 N 2.95 2.86 -0.13 0.00 0.52 0.31 -1.48 118.94 123.96 1n3n s TRP 204 Ca 0.39 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 56.27 1n3n s TRP 204 Cb -0.15 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1n3n s TRP 204 CO 0.07 0.07 -0.22 0.00 0.02 0.00 0.00 176.95 176.89 1n3n s ALA 205 N -0.23 2.22 0.09 0.98 0.00 -0.67 -2.28 121.76 121.86 1n3n s ALA 205 Ca 0.02 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1n3n s ALA 205 Cb -0.13 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1n3n s ALA 205 CO 0.03 0.03 -0.11 -0.51 0.00 0.00 0.00 175.76 175.20 1n3n s LEU 206 N 0.73 2.36 -1.29 0.00 1.43 0.21 -2.58 118.68 119.53 1n3n s LEU 206 Ca -0.09 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 1n3n s LEU 206 Cb -0.16 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.71 1n3n s LEU 206 CO 0.00 -0.20 1.10 0.61 0.23 0.00 0.00 176.35 178.09 1n3n n GLY 207 N 0.81 -0.46 3.59 -3.19 0.00 -0.95 -1.05 105.19 103.93 1n3n n GLY 207 Ca -0.18 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 2.64 -0.28 1.61 -0.12 -1.07 -4.49 117.98 112.94 1n3n s PHE 208 Ca 0.33 -0.22 -0.22 0.00 -0.05 0.00 0.00 56.93 56.77 1n3n s PHE 208 Cb -0.15 -1.25 0.09 0.00 -0.63 0.00 0.00 43.02 41.08 1n3n s PHE 208 CO 0.73 0.55 0.78 -0.47 -0.05 0.00 0.00 175.22 176.76 1n3n s TYR 209 N -1.91 -0.80 1.21 3.49 5.04 -0.38 0.21 117.35 124.20 1n3n s TYR 209 Ca 0.27 1.81 -0.18 0.00 -2.44 0.00 0.00 57.07 56.53 1n3n s TYR 209 Cb -0.08 0.39 0.29 0.00 0.35 0.00 0.00 41.96 42.91 1n3n s TYR 209 CO 0.17 -0.39 1.06 -1.25 -1.34 0.00 0.00 175.55 173.79 1n3n s PRO 210 N 0.77 -1.24 0.51 4.97 0.04 -1.26 -0.71 135.00 138.07 1n3n s PRO 210 Ca -0.03 0.21 0.29 0.00 0.04 0.00 0.00 61.00 61.51 1n3n s PRO 210 Cb -0.05 -1.57 1.21 0.00 0.04 0.00 0.00 34.50 34.13 1n3n s PRO 210 CO -0.07 -3.78 1.93 0.00 0.04 0.00 0.00 177.00 175.13 1n3n h ALA 211 N -2.64 1.03 -2.70 8.56 0.00 -1.95 -3.44 119.26 118.13 1n3n h ALA 211 Ca -0.49 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.80 1n3n h ALA 211 Cb 1.32 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 19.16 1n3n h ALA 211 CO 0.40 0.12 0.95 -0.25 0.00 0.00 0.00 179.25 180.47 1n3n n ASP 212 N -3.25 3.91 -3.55 0.00 9.92 -1.26 -4.93 116.55 117.38 1n3n n ASP 212 Ca 0.00 1.10 -0.07 0.00 -0.53 0.00 0.00 54.79 55.29 1n3n n ASP 212 Cb 0.35 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.23 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 0.61 0.00 -0.04 0.53 2.07 -1.26 -4.71 121.20 118.40 1n3n s ILE 213 Ca 0.70 -0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.82 1n3n s ILE 213 Cb -0.50 -1.18 0.03 0.00 0.13 0.00 0.00 42.46 40.94 1n3n s ILE 213 CO 0.40 0.00 0.08 -0.89 -1.91 0.00 0.00 174.94 172.62 1n3n s THR 214 N -3.06 -0.06 -0.02 4.00 2.01 -0.21 -5.01 115.64 113.31 1n3n s THR 214 Ca 0.07 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1n3n s THR 214 Cb -0.01 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 1n3n s THR 214 CO -0.07 0.08 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.94 1n3n s LEU 215 N 1.13 2.17 -0.05 4.42 1.02 -1.26 -0.53 118.68 125.58 1n3n s LEU 215 Ca -0.09 -0.44 -0.15 0.00 0.02 0.00 0.00 54.13 53.47 1n3n s LEU 215 Cb -0.12 -1.37 0.03 0.00 0.02 0.00 0.00 46.19 44.75 1n3n s LEU 215 CO -0.04 0.32 0.35 0.42 0.02 0.00 0.00 176.35 177.41 1n3n s THR 216 N -0.65 0.04 -0.12 5.49 -4.23 -1.08 -5.00 115.64 110.08 1n3n s THR 216 Ca 0.10 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.28 1n3n s THR 216 Cb -0.10 -0.61 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1n3n s THR 216 CO -0.00 -0.17 -0.03 0.26 -0.54 0.00 0.00 174.62 174.13 1n3n s TRP 217 N -0.88 3.05 -0.07 3.99 0.52 -1.26 -1.71 118.94 122.58 1n3n s TRP 217 Ca -0.10 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 55.98 1n3n s TRP 217 Cb -0.04 -1.87 -0.00 0.00 -1.15 0.00 0.00 33.47 30.41 1n3n s TRP 217 CO 0.03 0.18 -0.22 -0.65 0.02 0.00 0.00 176.95 176.31 1n3n s GLN 218 N -0.21 2.50 -0.46 4.98 -0.21 0.66 0.91 119.66 127.83 1n3n s GLN 218 Ca 0.04 -0.81 0.04 0.00 0.02 0.00 0.00 55.36 54.65 1n3n s GLN 218 Cb -0.13 -2.04 0.12 0.00 1.00 0.00 0.00 33.01 31.97 1n3n s GLN 218 CO 0.02 0.27 0.20 -1.17 -2.12 0.00 0.00 175.29 172.49 1n3n s LEU 219 N 0.09 4.22 -0.46 2.90 2.96 -0.60 -1.16 118.68 126.63 1n3n s LEU 219 Ca -0.09 -2.70 -0.02 0.00 -0.22 0.00 0.00 54.13 51.09 1n3n s LEU 219 Cb -0.15 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1n3n s LEU 219 CO 0.05 -0.28 0.42 0.59 -1.32 0.00 0.00 176.35 175.81 1n3n n ASN 220 N 3.51 -4.52 0.00 3.68 3.02 -1.25 -3.81 115.26 115.89 1n3n n ASN 220 Ca 0.05 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1n3n n ASN 220 Cb 0.35 -2.95 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 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 0.46 3.74 7.41 0.00 -1.26 -4.92 105.19 109.25 1n3n n GLY 221 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.42 0.03 1.61 -1.05 -1.25 -4.97 118.70 117.49 1n3n s GLU 222 Ca 0.00 2.00 -0.28 0.00 -0.15 0.00 0.00 54.97 56.55 1n3n s GLU 222 Cb 0.00 -3.20 -0.04 0.00 -0.44 0.00 0.00 34.13 30.44 1n3n s GLU 222 CO 0.00 -0.20 0.88 -1.21 0.95 0.00 0.00 175.26 175.68 1n3n s GLU 223 N -0.22 4.56 -1.10 -4.83 2.02 -1.26 -1.56 118.70 116.31 1n3n s GLU 223 Ca 0.55 1.25 -0.18 0.00 0.02 0.00 0.00 54.97 56.61 1n3n s GLU 223 Cb -0.35 -3.41 0.11 0.00 0.10 0.00 0.00 34.13 30.57 1n3n s GLU 223 CO 0.38 0.11 1.40 -0.51 0.02 0.00 0.00 175.26 176.67 1n3n s LEU 224 N 0.48 4.47 -0.59 1.80 2.01 0.26 -4.84 118.68 122.26 1n3n s LEU 224 Ca 0.45 -2.24 -0.02 0.00 0.01 0.00 0.00 54.13 52.33 1n3n s LEU 224 Cb -0.21 -2.47 0.28 0.00 0.01 0.00 0.00 46.19 43.80 1n3n s LEU 224 CO 0.26 -1.10 2.21 0.35 1.01 0.00 0.00 176.35 179.08 1n3n n THR 225 N 5.75 3.37 -3.64 5.49 -2.24 -1.26 -4.61 114.28 117.13 1n3n n THR 225 Ca 0.34 -3.02 -0.06 0.00 -2.27 0.00 0.00 64.05 59.05 1n3n n THR 225 Cb 0.47 -1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.95 0.51 -0.13 -0.78 2.00 -1.26 -4.90 119.66 112.15 1n3n s GLN 226 Ca 0.53 0.79 0.00 0.00 -2.00 0.00 0.00 55.36 54.68 1n3n s GLN 226 Cb 0.40 0.15 0.00 0.00 0.80 0.00 0.00 33.01 34.36 1n3n s GLN 226 CO -0.16 -0.09 0.00 -0.25 -0.50 0.00 0.00 175.29 174.28 1n3n n ASP 227 N 3.43 -3.67 -4.88 6.67 9.92 -1.26 -5.01 116.55 121.76 1n3n n ASP 227 Ca -0.17 0.03 -0.32 0.00 -0.53 0.00 0.00 54.79 53.80 1n3n n ASP 227 Cb 0.57 -1.28 -0.05 0.00 -0.64 0.00 0.00 41.12 39.72 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 -0.95 3.78 -0.18 -1.24 1.75 -1.26 -4.59 119.30 116.60 1n3n s MET 228 Ca 0.00 0.23 -0.02 0.00 -1.25 0.00 0.00 55.69 54.64 1n3n s MET 228 Cb 0.00 -2.67 -0.01 0.00 2.84 0.00 0.00 34.83 34.99 1n3n s MET 228 CO 0.00 0.33 -0.08 -1.21 -0.65 0.00 0.00 175.02 173.40 1n3n s GLU 229 N -2.83 3.37 0.00 4.11 0.41 0.15 -4.93 118.70 118.97 1n3n s GLU 229 Ca 0.47 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 1n3n s GLU 229 Cb -0.11 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.39 1n3n s GLU 229 CO 0.22 -0.04 0.00 1.28 -0.49 0.00 0.00 175.26 176.23 1n3n n LEU 230 N 4.29 0.00 0.00 1.80 4.77 -1.26 -0.20 117.00 126.40 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 -1.57 4.08 3.14 -1.24 -4.84 118.33 117.90 1n3n n VAL 231 Ca 0.00 0.00 -0.51 0.00 -2.96 0.00 0.00 64.34 60.87 1n3n n VAL 231 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 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 1.05 -1.61 1.45 -0.58 -1.26 -4.48 120.64 115.20 1n3n n GLU 232 Ca 0.00 0.38 -0.45 0.00 -0.42 0.00 0.00 57.16 56.66 1n3n n GLU 232 Cb 0.00 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 28.91 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 1.98 1.53 -4.15 2.62 -1.04 -1.26 -4.91 114.28 109.05 1n3n n THR 233 Ca 0.17 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 1n3n n THR 233 Cb 0.21 -1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 67.49 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 -1.09 0.78 0.07 -2.82 1.04 0.01 -4.95 118.95 112.00 1n3n s ARG 234 Ca 0.64 -1.06 -0.31 0.00 -1.04 0.00 0.00 55.73 53.96 1n3n s ARG 234 Cb -0.71 -0.51 -0.07 0.00 -2.04 0.00 0.00 34.95 31.62 1n3n s ARG 234 CO 0.56 0.08 1.33 -1.25 -0.04 0.00 0.00 175.30 175.99 1n3n s PRO 235 N -2.47 4.34 0.21 3.89 0.04 -1.26 -1.07 135.00 138.68 1n3n s PRO 235 Ca 0.02 1.96 0.24 0.00 0.04 0.00 0.00 61.00 63.26 1n3n s PRO 235 Cb -0.05 -3.35 0.91 0.00 0.04 0.00 0.00 34.50 32.06 1n3n s PRO 235 CO 0.00 -0.41 1.73 0.00 0.04 0.00 0.00 177.00 178.36 1n3n n ALA 236 N 4.25 1.94 -0.06 8.56 0.00 -0.70 -4.88 120.51 129.60 1n3n n ALA 236 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1n3n n ALA 236 Cb 0.44 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1n3n n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n3n n GLY 237 N 0.59 0.84 0.62 0.00 0.00 -1.26 -4.87 105.19 101.10 1n3n n GLY 237 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 2.25 0.00 1.61 5.75 -1.26 -4.94 116.55 119.97 1n3n n ASP 238 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1n3n n ASP 238 Cb 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 1.05 0.81 3.95 6.12 0.00 -1.26 -5.09 105.19 110.77 1n3n n GLY 239 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.28 2.09 0.24 2.61 -4.23 -1.26 -4.86 115.64 108.95 1n3n s THR 240 Ca 0.00 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.28 1n3n s THR 240 Cb 0.00 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1n3n s THR 240 CO 0.00 0.00 0.05 -0.36 -0.54 0.00 0.00 174.62 173.77 1n3n s PHE 241 N -3.51 1.54 0.12 3.99 0.40 0.13 -1.73 117.98 118.92 1n3n s PHE 241 Ca 0.69 -1.05 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1n3n s PHE 241 Cb -0.06 -0.91 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 1n3n s PHE 241 CO 0.48 -0.19 0.13 -0.65 0.70 0.00 0.00 175.22 175.70 1n3n s GLN 242 N -3.95 0.92 -0.19 0.44 -0.21 -0.23 -2.25 119.66 114.19 1n3n s GLN 242 Ca 0.32 -1.24 -0.34 0.00 0.02 0.00 0.00 55.36 54.13 1n3n s GLN 242 Cb 0.07 0.29 0.14 0.00 1.00 0.00 0.00 33.01 34.52 1n3n s GLN 242 CO 0.11 -0.28 1.20 0.21 -2.12 0.00 0.00 175.29 174.40 1n3n s LYS 243 N -3.97 0.32 -0.02 2.91 2.20 -1.07 -0.81 119.74 119.31 1n3n s LYS 243 Ca 0.15 -0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 55.50 1n3n s LYS 243 Cb 0.06 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1n3n s LYS 243 CO -0.03 -0.13 0.40 1.67 -0.36 0.00 0.00 175.35 176.90 1n3n s TRP 244 N -2.12 -0.30 0.12 4.03 1.48 -1.26 -1.67 118.94 119.22 1n3n s TRP 244 Ca 0.08 0.48 0.08 0.00 -1.06 0.00 0.00 56.10 55.69 1n3n s TRP 244 Cb -0.01 0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.44 1n3n s TRP 244 CO -0.05 -0.44 -0.21 0.00 -4.06 0.00 0.00 176.95 172.20 1n3n s ALA 245 N -1.28 1.89 0.06 2.67 0.00 -0.55 -3.72 121.76 120.83 1n3n s ALA 245 Ca -0.13 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 1n3n s ALA 245 Cb -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1n3n s ALA 245 CO 0.06 0.34 0.25 -1.54 0.00 0.00 0.00 175.76 174.87 1n3n s SER 246 N -2.12 -0.03 0.07 0.00 1.04 0.72 0.96 113.70 114.35 1n3n s SER 246 Ca 0.09 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.12 1n3n s SER 246 Cb -0.09 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1n3n s SER 246 CO 0.05 -0.64 0.11 0.68 0.98 0.00 0.00 173.24 174.42 1n3n s VAL 247 N -2.91 0.17 -0.55 5.02 -7.23 -0.69 0.29 120.40 114.50 1n3n s VAL 247 Ca -0.02 -1.40 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 1n3n s VAL 247 Cb 0.00 -1.38 0.12 0.00 0.56 0.00 0.00 36.38 35.68 1n3n s VAL 247 CO -0.06 -0.77 0.56 0.68 -0.31 0.00 0.00 175.10 175.20 1n3n s VAL 248 N -3.82 5.09 -0.23 1.32 -7.23 -1.26 -0.91 120.40 113.37 1n3n s VAL 248 Ca 0.05 -1.29 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1n3n s VAL 248 Cb 0.06 -4.37 -0.02 0.00 0.56 0.00 0.00 36.38 32.60 1n3n s VAL 248 CO -0.10 -0.93 0.03 -0.69 -0.31 0.00 0.00 175.10 173.10 1n3n s VAL 249 N 1.96 4.08 -0.33 1.32 1.01 0.45 -4.88 120.40 124.02 1n3n s VAL 249 Ca 0.06 -0.26 -0.38 0.00 0.00 0.00 0.00 61.98 61.40 1n3n s VAL 249 Cb -0.28 -2.88 -0.14 0.00 0.00 0.00 0.00 36.38 33.09 1n3n s VAL 249 CO 0.04 0.38 2.02 -2.65 0.00 0.00 0.00 175.10 174.90 1n3n n PRO 250 N 4.63 1.04 -1.39 2.72 -0.02 -1.26 -1.62 135.00 139.10 1n3n n PRO 250 Ca -0.17 0.33 -0.50 0.00 -2.02 0.00 0.00 63.50 61.14 1n3n n PRO 250 Cb 0.51 -2.25 -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 7.96 -0.90 0.00 2.45 7.94 0.28 -1.44 117.00 133.29 1n3n n LEU 251 Ca 0.37 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.38 1n3n n LEU 251 Cb 0.17 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1n3n n LEU 251 CO 0.79 -2.64 0.00 0.61 -1.11 0.00 0.00 177.39 175.04 1n3n n GLY 252 N 1.82 3.12 2.12 -3.96 0.00 -1.26 -4.85 105.19 102.18 1n3n n GLY 252 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.02 2.43 0.30 1.61 4.76 -0.52 -4.72 118.16 121.00 1n3n n LYS 253 Ca 0.00 -3.20 -0.17 0.00 -2.87 0.00 0.00 58.31 52.07 1n3n n LYS 253 Cb 0.00 -2.18 -0.08 0.00 -1.84 0.00 0.00 35.03 30.93 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 1.43 -0.73 -0.07 1.97 3.07 -1.89 -3.09 114.58 115.28 1n3n h GLU 254 Ca 0.56 0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.49 1n3n h GLU 254 Cb 1.90 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1n3n h GLU 254 CO 1.17 -0.48 0.26 1.96 -1.40 0.00 0.00 179.01 180.52 1n3n h GLN 255 N -0.75 0.00 -0.09 2.33 1.08 -1.90 -1.01 115.11 114.78 1n3n h GLN 255 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1n3n h GLN 255 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1n3n h GLN 255 CO 0.09 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 178.06 1n3n n ASN 256 N -3.14 0.09 -3.88 1.46 4.13 -1.17 -4.64 115.26 108.11 1n3n n ASN 256 Ca -0.01 -1.49 -0.21 0.00 1.68 0.00 0.00 54.58 54.55 1n3n n ASN 256 Cb 0.33 -0.04 -0.17 0.00 -1.54 0.00 0.00 39.78 38.36 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 -1.88 0.79 0.04 3.10 2.02 -0.38 -3.97 117.35 117.07 1n3n s TYR 257 Ca 0.00 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1n3n s TYR 257 Cb 0.00 -0.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.81 1n3n s TYR 257 CO 0.00 -0.23 -0.07 0.95 -1.57 0.00 0.00 175.55 174.63 1n3n s THR 258 N 1.10 0.52 -0.08 -0.71 -4.23 -0.30 -4.53 115.64 107.41 1n3n s THR 258 Ca -0.08 -1.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1n3n s THR 258 Cb -0.14 -0.64 0.02 0.00 1.34 0.00 0.00 72.50 73.08 1n3n s THR 258 CO -0.01 -0.42 -0.12 0.00 -0.54 0.00 0.00 174.62 173.53 1n3n s ARG 260 N 0.90 3.63 -0.34 0.00 3.03 -0.70 -1.83 118.95 123.64 1n3n s ARG 260 Ca -0.10 -0.05 0.03 0.00 2.03 0.00 0.00 55.73 57.64 1n3n s ARG 260 Cb -0.15 -2.74 0.10 0.00 -1.03 0.00 0.00 34.95 31.13 1n3n s ARG 260 CO 0.01 0.34 0.07 0.08 -1.13 0.00 0.00 175.30 174.67 1n3n s VAL 261 N -1.88 1.84 -0.12 4.99 1.01 -0.36 -2.64 120.40 123.24 1n3n s VAL 261 Ca 0.43 -2.09 -0.22 0.00 0.00 0.00 0.00 61.98 60.09 1n3n s VAL 261 Cb -0.11 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1n3n s VAL 261 CO 0.27 -0.63 0.67 -0.31 0.00 0.00 0.00 175.10 175.09 1n3n s TYR 262 N 1.08 3.49 -0.23 5.22 1.51 0.31 -2.63 117.35 126.11 1n3n s TYR 262 Ca 0.11 1.11 -0.13 0.00 -1.01 0.00 0.00 57.07 57.15 1n3n s TYR 262 Cb -0.19 -2.80 0.07 0.00 -0.11 0.00 0.00 41.96 38.94 1n3n s TYR 262 CO -0.13 -0.01 0.56 -1.58 -1.11 0.00 0.00 175.55 173.27 1n3n s HIS 263 N 1.25 -0.84 0.21 2.71 2.46 -1.26 -1.04 115.29 118.78 1n3n s HIS 263 Ca 0.34 1.73 -0.16 0.00 0.47 0.00 0.00 55.06 57.43 1n3n s HIS 263 Cb -0.17 0.45 0.22 0.00 -0.13 0.00 0.00 32.58 32.96 1n3n s HIS 263 CO 0.14 -0.44 1.59 1.05 -2.47 0.00 0.00 174.74 174.62 1n3n h GLU 264 N 6.99 -0.07 0.00 2.88 4.11 -1.96 0.53 114.58 127.06 1n3n h GLU 264 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1n3n h GLU 264 Cb 1.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1n3n h GLU 264 CO 0.22 -0.05 0.00 0.41 0.07 0.00 0.00 179.01 179.67 1n3n n GLY 265 N -1.47 -0.23 3.79 1.06 0.00 -1.26 -4.63 105.19 102.44 1n3n n GLY 265 Ca 0.08 -0.04 -0.37 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 -2.06 4.32 0.13 0.99 2.96 0.18 -4.53 118.68 120.67 1n3n s LEU 266 Ca 0.09 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.27 1n3n s LEU 266 Cb 0.04 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.36 1n3n s LEU 266 CO 0.08 0.23 1.59 -0.65 -1.32 0.00 0.00 176.35 176.27 1n3n h PRO 267 N 5.85 -0.50 -3.68 0.98 0.11 -1.84 -3.44 132.00 129.48 1n3n h PRO 267 Ca -0.47 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1n3n h PRO 267 Cb 1.19 0.11 -0.19 0.00 0.11 0.00 0.00 31.00 32.23 1n3n h PRO 267 CO 0.68 -0.34 -0.51 -1.83 -0.21 0.00 0.00 178.00 175.80 1n3n s GLU 268 N -5.90 0.55 0.35 1.05 -1.05 -1.26 -5.13 118.70 107.31 1n3n s GLU 268 Ca -0.16 -0.61 -0.26 0.00 -0.15 0.00 0.00 54.97 53.80 1n3n s GLU 268 Cb 0.09 0.22 -0.13 0.00 -0.44 0.00 0.00 34.13 33.87 1n3n s GLU 268 CO 0.64 -0.14 0.84 -2.30 0.95 0.00 0.00 175.26 175.25 1n3n n PRO 269 N 1.03 1.02 -3.31 -4.83 -0.02 -1.26 -4.95 135.00 122.68 1n3n n PRO 269 Ca -0.21 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 1n3n n PRO 269 Cb 0.57 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 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 0.78 4.30 -0.16 2.45 1.43 -1.08 -4.86 118.68 121.54 1n3n s LEU 270 Ca 0.61 1.13 0.02 0.00 -1.03 0.00 0.00 54.13 54.86 1n3n s LEU 270 Cb -0.66 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.16 1n3n s LEU 270 CO 0.58 0.05 -0.21 -0.89 0.23 0.00 0.00 176.35 176.12 1n3n s THR 271 N -1.54 2.04 0.17 5.49 2.01 -1.26 -1.22 115.64 121.33 1n3n s THR 271 Ca 0.41 -0.95 0.10 0.00 0.31 0.00 0.00 61.69 61.56 1n3n s THR 271 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1n3n s THR 271 CO 0.20 0.54 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.70 1n3n s LEU 272 N 1.10 2.42 0.01 4.42 1.43 -0.76 -4.98 118.68 122.31 1n3n s LEU 272 Ca 0.00 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 1n3n s LEU 272 Cb -0.14 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.14 1n3n s LEU 272 CO -0.08 0.04 0.48 -0.60 0.23 0.00 0.00 176.35 176.42 1n3n s ARG 273 N -2.62 0.92 0.10 1.70 3.52 -1.26 -1.49 118.95 119.81 1n3n s ARG 273 Ca 0.17 -0.14 -0.34 0.00 -0.13 0.00 0.00 55.73 55.29 1n3n s ARG 273 Cb -0.07 0.42 -0.13 0.00 -1.56 0.00 0.00 34.95 33.61 1n3n s ARG 273 CO 0.08 -0.30 1.69 1.87 -0.81 0.00 0.00 175.30 177.82 1n3n n TRP 274 N 0.77 2.35 -3.70 5.12 -0.00 -1.26 -4.76 117.44 115.96 1n3n n TRP 274 Ca -0.19 0.14 -0.37 0.00 -0.00 0.00 0.00 57.50 57.08 1n3n n TRP 274 Cb 0.58 -2.60 -0.09 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 1.92 2.65 0.00 5.87 2.02 -1.26 -4.88 118.70 125.02 1n3n s GLU 275 Ca 0.82 -2.60 0.02 0.00 0.02 0.00 0.00 54.97 53.24 1n3n s GLU 275 Cb -0.65 -3.77 0.10 0.00 0.10 0.00 0.00 34.13 29.91 1n3n s GLU 275 CO 0.41 -1.19 0.59 -0.35 0.02 0.00 0.00 175.26 174.75