#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4j n ILE 17 N 0.00 1.46 -1.69 -0.61 5.41 -1.26 -4.93 119.36 117.74 1n4j n ILE 17 Ca 0.00 -0.75 -0.43 0.00 1.00 0.00 0.00 62.75 62.57 1n4j n ILE 17 Cb 0.00 -0.87 -0.01 0.00 -0.71 0.00 0.00 39.64 38.05 1n4j n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1n4j n THR 18 N -2.97 1.88 0.00 1.39 -1.04 -1.26 -4.80 114.28 107.48 1n4j n THR 18 Ca -0.35 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 1n4j n THR 18 Cb 1.09 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 1n4j n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n4j n GLY 19 N 0.94 0.63 3.72 3.41 0.00 -0.56 -5.02 105.19 108.32 1n4j n GLY 19 Ca 0.06 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1n4j n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n4j s THR 20 N -1.06 5.33 0.07 2.61 2.01 -1.26 -2.16 115.64 121.18 1n4j s THR 20 Ca 0.00 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1n4j s THR 20 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1n4j s THR 20 CO 0.00 0.45 -0.23 0.26 -0.69 0.00 0.00 174.62 174.42 1n4j s TRP 21 N 0.28 1.97 -0.10 4.92 0.52 0.01 -4.62 118.94 121.92 1n4j s TRP 21 Ca 0.08 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.83 1n4j s TRP 21 Cb -0.11 -1.14 0.01 0.00 -1.15 0.00 0.00 33.47 31.08 1n4j s TRP 21 CO -0.01 0.16 -0.21 0.71 0.02 0.00 0.00 176.95 177.62 1n4j s TYR 22 N -0.93 2.33 0.37 -1.98 2.02 -0.30 -0.56 117.35 118.30 1n4j s TYR 22 Ca 0.09 -1.02 -0.02 0.00 -0.37 0.00 0.00 57.07 55.75 1n4j s TYR 22 Cb -0.09 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 1n4j s TYR 22 CO 0.03 -0.45 0.61 0.00 -1.57 0.00 0.00 175.55 174.17 1n4j s ALA 23 N 0.58 3.60 0.64 3.71 0.00 0.91 -2.11 121.76 129.10 1n4j s ALA 23 Ca -0.14 -0.71 0.35 0.00 0.00 0.00 0.00 51.96 51.46 1n4j s ALA 23 Cb -0.17 -2.28 1.94 0.00 0.00 0.00 0.00 23.12 22.61 1n4j s ALA 23 CO 0.04 -0.03 2.14 1.96 0.00 0.00 0.00 175.76 179.87 1n4j h GLN 24 N 0.87 0.00 -0.03 0.00 1.08 -1.88 -1.88 115.11 113.27 1n4j h GLN 24 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1n4j h GLN 24 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1n4j h GLN 24 CO 0.63 0.00 -0.00 1.28 -0.95 0.00 0.00 178.83 179.78 1n4j n LEU 25 N -3.23 2.81 0.00 1.46 7.99 -1.26 -4.99 117.00 119.78 1n4j n LEU 25 Ca -0.01 -1.00 0.00 0.00 -0.01 0.00 0.00 56.01 54.99 1n4j n LEU 25 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1n4j n LEU 25 CO 0.20 0.48 0.00 0.61 -1.51 0.00 0.00 177.39 177.17 1n4j n GLY 26 N 1.22 1.52 3.65 -0.72 0.00 -0.71 -5.10 105.19 105.06 1n4j n GLY 26 Ca 0.13 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1n4j n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4j n SER 27 N 0.00 1.43 -4.17 1.61 7.64 -1.26 -4.70 113.62 114.18 1n4j n SER 27 Ca 0.00 0.93 -0.21 0.00 1.01 0.00 0.00 58.87 60.59 1n4j n SER 27 Cb 0.00 -1.43 -0.14 0.00 -1.01 0.00 0.00 64.21 61.64 1n4j n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n4j s THR 28 N -1.38 1.24 -0.01 0.44 2.01 -0.94 -0.06 115.64 116.95 1n4j s THR 28 Ca 0.70 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1n4j s THR 28 Cb -0.46 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 70.95 1n4j s THR 28 CO 0.51 0.07 -0.03 0.72 -0.69 0.00 0.00 174.62 175.21 1n4j s PHE 29 N -0.80 0.33 -0.18 4.92 -0.12 0.28 -1.19 117.98 121.21 1n4j s PHE 29 Ca 0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.84 1n4j s PHE 29 Cb -0.08 -0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 1n4j s PHE 29 CO 0.01 -0.03 -0.11 0.42 -0.05 0.00 0.00 175.22 175.46 1n4j s ILE 30 N 0.15 3.02 0.01 -4.49 1.01 -0.15 -0.81 121.20 119.94 1n4j s ILE 30 Ca -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1n4j s ILE 30 Cb -0.04 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1n4j s ILE 30 CO -0.00 0.48 -0.04 0.54 0.00 0.00 0.00 174.94 175.92 1n4j s VAL 31 N 0.98 0.25 -0.19 2.92 0.11 -0.92 -1.23 120.40 122.32 1n4j s VAL 31 Ca -0.01 -0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1n4j s VAL 31 Cb -0.15 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1n4j s VAL 31 CO -0.01 -0.20 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.57 1n4j s THR 32 N -0.74 2.94 -0.38 5.04 2.01 0.50 -1.49 115.64 123.52 1n4j s THR 32 Ca -0.06 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 1n4j s THR 32 Cb -0.05 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.17 1n4j s THR 32 CO -0.00 0.48 0.26 0.00 -0.69 0.00 0.00 174.62 174.67 1n4j s ALA 33 N 1.18 3.46 0.76 7.40 0.00 -1.26 -2.12 121.76 131.19 1n4j s ALA 33 Ca 0.02 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.28 1n4j s ALA 33 Cb -0.14 -2.76 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1n4j s ALA 33 CO -0.04 -1.25 1.12 0.20 0.00 0.00 0.00 175.76 175.79 1n4j s GLY 34 N 1.68 1.61 0.52 0.00 0.00 0.22 -4.91 107.32 106.45 1n4j s GLY 34 Ca 0.05 -0.43 0.31 0.00 0.00 0.00 0.00 44.72 44.65 1n4j s GLY 34 CO 0.10 -0.01 1.93 0.00 0.00 0.00 0.00 173.10 175.12 1n4j h ALA 35 N -0.86 1.01 -0.00 3.20 0.00 -1.98 -2.99 119.26 117.63 1n4j h ALA 35 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1n4j h ALA 35 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n4j h ALA 35 CO 0.64 0.07 -0.05 -0.40 0.00 0.00 0.00 179.25 179.50 1n4j n ASP 36 N -3.17 0.45 0.00 0.00 5.75 -1.26 -4.90 116.55 113.42 1n4j n ASP 36 Ca 0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 1n4j n ASP 36 Cb 0.34 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1n4j n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n4j n GLY 37 N 1.19 0.84 3.90 6.12 0.00 -1.13 -4.99 105.19 111.13 1n4j n GLY 37 Ca 0.18 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1n4j n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4j s ALA 38 N -2.00 3.89 -0.17 4.61 0.00 -1.26 -1.67 121.76 125.17 1n4j s ALA 38 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1n4j s ALA 38 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1n4j s ALA 38 CO 0.00 0.70 -0.15 -0.51 0.00 0.00 0.00 175.76 175.81 1n4j s LEU 39 N -2.04 2.46 0.02 0.00 1.43 -1.00 0.72 118.68 120.27 1n4j s LEU 39 Ca 0.30 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1n4j s LEU 39 Cb -0.13 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1n4j s LEU 39 CO 0.20 0.05 -0.03 0.42 0.23 0.00 0.00 176.35 177.22 1n4j s THR 40 N 1.01 0.14 -3.14 5.49 -4.23 -0.90 -1.68 115.64 112.33 1n4j s THR 40 Ca -0.02 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1n4j s THR 40 Cb -0.15 -0.23 0.00 0.00 1.34 0.00 0.00 72.50 73.47 1n4j s THR 40 CO -0.03 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1n4j n GLY 41 N 2.09 -0.61 3.03 3.99 0.00 -1.13 -0.37 105.19 112.18 1n4j n GLY 41 Ca -0.20 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1n4j n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n4j s THR 42 N -3.96 0.11 -0.16 2.61 -4.23 -0.36 -1.99 115.64 107.66 1n4j s THR 42 Ca 0.00 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1n4j s THR 42 Cb 0.00 -0.45 -0.01 0.00 1.34 0.00 0.00 72.50 73.38 1n4j s THR 42 CO 0.00 -0.52 -0.11 -0.47 -0.54 0.00 0.00 174.62 172.98 1n4j s TYR 43 N -1.73 2.86 0.46 3.99 6.14 0.02 -0.98 117.35 128.12 1n4j s TYR 43 Ca -0.13 -0.79 0.03 0.00 0.64 0.00 0.00 57.07 56.82 1n4j s TYR 43 Cb -0.07 -1.93 -0.04 0.00 0.42 0.00 0.00 41.96 40.34 1n4j s TYR 43 CO -0.01 -0.35 0.03 -1.21 0.64 0.00 0.00 175.55 174.64 1n4j s GLU 44 N 0.75 2.06 0.11 4.97 2.02 -0.34 -1.19 118.70 127.08 1n4j s GLU 44 Ca -0.04 -2.26 -0.03 0.00 0.02 0.00 0.00 54.97 52.65 1n4j s GLU 44 Cb -0.15 -1.38 -0.18 0.00 0.10 0.00 0.00 34.13 32.51 1n4j s GLU 44 CO 0.01 -0.28 1.23 0.00 0.02 0.00 0.00 175.26 176.24 1n4j h ALA 50 N 1.58 0.24 0.00 5.21 0.00 -2.08 -2.49 119.26 121.73 1n4j h ALA 50 Ca -0.43 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1n4j h ALA 50 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n4j h ALA 50 CO 0.73 0.92 0.00 1.05 0.00 0.00 0.00 179.25 181.95 1n4j h GLU 51 N 0.13 0.00 -0.27 0.00 9.09 -2.03 -3.08 114.58 118.43 1n4j h GLU 51 Ca -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.30 1n4j h GLU 51 Cb 1.78 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.88 1n4j h GLU 51 CO 0.18 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 178.11 1n4j n SER 52 N -2.60 3.88 -4.83 3.06 3.41 -1.26 -4.77 113.62 110.51 1n4j n SER 52 Ca 0.02 -3.04 -0.37 0.00 -0.26 0.00 0.00 58.87 55.22 1n4j n SER 52 Cb 0.28 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 1n4j n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1n4j s ARG 53 N -2.84 3.80 0.02 4.33 6.06 -1.17 -4.41 118.95 124.75 1n4j s ARG 53 Ca 0.42 0.15 0.01 0.00 -2.50 0.00 0.00 55.73 53.82 1n4j s ARG 53 Cb 0.34 -3.25 -0.02 0.00 0.06 0.00 0.00 34.95 32.09 1n4j s ARG 53 CO 0.09 0.64 -0.04 0.71 -2.50 0.00 0.00 175.30 174.20 1n4j s TYR 54 N -0.79 0.37 0.17 5.12 1.51 -0.33 -4.90 117.35 118.50 1n4j s TYR 54 Ca 0.19 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 1n4j s TYR 54 Cb -0.14 -0.24 -0.07 0.00 -0.11 0.00 0.00 41.96 41.39 1n4j s TYR 54 CO 0.08 -0.11 1.08 0.08 -1.11 0.00 0.00 175.55 175.57 1n4j s VAL 55 N -1.07 3.96 0.13 0.71 1.01 -1.26 -0.80 120.40 123.07 1n4j s VAL 55 Ca -0.10 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.65 1n4j s VAL 55 Cb -0.08 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1n4j s VAL 55 CO -0.00 0.29 -0.18 -1.48 0.00 0.00 0.00 175.10 173.72 1n4j s LEU 56 N -0.34 2.37 -0.05 3.92 0.05 -0.84 -4.33 118.68 119.45 1n4j s LEU 56 Ca 0.49 -0.77 -0.09 0.00 0.05 0.00 0.00 54.13 53.81 1n4j s LEU 56 Cb -0.28 -0.79 0.02 0.00 -2.05 0.00 0.00 46.19 43.08 1n4j s LEU 56 CO 0.34 -0.02 0.23 0.28 -0.55 0.00 0.00 176.35 176.63 1n4j s THR 57 N -1.65 0.03 0.00 5.48 -1.32 -0.91 -2.85 115.64 114.43 1n4j s THR 57 Ca 0.10 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1n4j s THR 57 Cb -0.08 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 1n4j s THR 57 CO 0.05 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1n4j n GLY 58 N 2.20 1.78 3.19 6.08 0.00 -0.67 -0.82 105.19 116.94 1n4j n GLY 58 Ca -0.17 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1n4j n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n4j s ARG 59 N -1.20 0.77 0.07 1.61 1.81 -0.67 -2.37 118.95 118.96 1n4j s ARG 59 Ca 0.00 -0.84 -0.17 0.00 -1.72 0.00 0.00 55.73 53.00 1n4j s ARG 59 Cb 0.00 0.31 0.03 0.00 -0.45 0.00 0.00 34.95 34.85 1n4j s ARG 59 CO 0.00 -0.23 0.40 1.52 -0.68 0.00 0.00 175.30 176.31 1n4j s TYR 60 N -3.32 -0.24 -0.56 -0.53 1.13 -0.67 -1.97 117.35 111.19 1n4j s TYR 60 Ca 0.01 0.11 -0.27 0.00 -1.41 0.00 0.00 57.07 55.51 1n4j s TYR 60 Cb 0.03 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 41.08 1n4j s TYR 60 CO -0.08 -0.60 1.86 0.34 -2.51 0.00 0.00 175.55 174.56 1n4j s ASP 61 N -2.24 5.35 0.00 -0.18 2.15 -0.44 -4.60 116.67 116.70 1n4j s ASP 61 Ca -0.03 0.51 0.18 0.00 0.43 0.00 0.00 52.55 53.64 1n4j s ASP 61 Cb 0.00 -2.53 0.94 0.00 -0.30 0.00 0.00 42.92 41.03 1n4j s ASP 61 CO -0.05 -2.28 1.62 -1.54 -0.17 0.00 0.00 175.17 172.75 1n4j n SER 62 N 12.44 0.47 -3.12 -0.34 3.41 -1.26 -3.97 113.62 121.24 1n4j n SER 62 Ca 0.21 -1.54 -0.21 0.00 -0.26 0.00 0.00 58.87 57.07 1n4j n SER 62 Cb 0.51 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1n4j n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4j n ALA 63 N -0.46 1.80 -1.40 7.33 0.00 -1.26 -5.04 120.51 121.47 1n4j n ALA 63 Ca 0.14 -3.06 -0.30 0.00 0.00 0.00 0.00 53.44 50.22 1n4j n ALA 63 Cb 0.13 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 18.81 1n4j n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n4j s PRO 64 N -0.86 1.53 0.76 0.00 0.04 -1.25 -5.00 135.00 130.22 1n4j s PRO 64 Ca 0.34 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 1n4j s PRO 64 Cb 0.18 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.92 1n4j s PRO 64 CO -0.13 -2.00 1.13 0.00 0.04 0.00 0.00 177.00 176.03 1n4j s ALA 65 N -3.08 2.15 -1.15 8.56 0.00 -1.26 -4.96 121.76 122.02 1n4j s ALA 65 Ca 0.62 0.52 0.19 0.00 0.00 0.00 0.00 51.96 53.29 1n4j s ALA 65 Cb -0.16 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 1n4j s ALA 65 CO 0.55 -1.82 0.86 0.25 0.00 0.00 0.00 175.76 175.60 1n4j n THR 66 N -3.18 0.00 0.84 0.00 -2.24 -1.26 -4.50 114.28 103.94 1n4j n THR 66 Ca 0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1n4j n THR 66 Cb 0.52 1.06 0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1n4j n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n4j n ASP 67 N -1.08 1.46 0.00 3.42 5.68 -1.26 -4.84 116.55 119.94 1n4j n ASP 67 Ca 0.05 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1n4j n ASP 67 Cb 0.33 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1n4j n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n4j n GLY 68 N 0.07 2.39 3.75 6.12 0.00 -1.26 -5.07 105.19 111.18 1n4j n GLY 68 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1n4j n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n4j s SER 69 N -1.38 4.16 1.07 1.61 1.04 -1.26 -5.03 113.70 113.91 1n4j s SER 69 Ca 0.00 1.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 1n4j s SER 69 Cb 0.00 -2.40 0.23 0.00 0.10 0.00 0.00 66.02 63.95 1n4j s SER 69 CO 0.00 -2.23 1.17 -0.83 0.98 0.00 0.00 173.24 172.33 1n4j s GLY 70 N -3.41 1.63 -0.33 7.32 0.00 -1.26 -4.85 107.32 106.42 1n4j s GLY 70 Ca 0.62 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 1n4j s GLY 70 CO 0.56 -0.12 0.14 -1.59 0.00 0.00 0.00 173.10 172.09 1n4j s THR 71 N -3.29 4.23 0.34 0.90 2.01 -0.56 -4.80 115.64 114.47 1n4j s THR 71 Ca 0.70 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 1n4j s THR 71 Cb -0.10 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1n4j s THR 71 CO 0.55 -0.06 1.12 0.00 -0.69 0.00 0.00 174.62 175.54 1n4j s ALA 72 N 1.52 3.28 0.22 7.40 0.00 -1.26 -1.22 121.76 131.69 1n4j s ALA 72 Ca 0.02 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1n4j s ALA 72 Cb -0.18 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1n4j s ALA 72 CO 0.04 -0.30 0.55 -0.48 0.00 0.00 0.00 175.76 175.57 1n4j s LEU 73 N -2.01 0.04 0.06 0.00 0.05 -1.03 -1.33 118.68 114.46 1n4j s LEU 73 Ca 0.51 -0.56 -0.26 0.00 0.05 0.00 0.00 54.13 53.87 1n4j s LEU 73 Cb -0.30 2.19 0.07 0.00 -2.05 0.00 0.00 46.19 46.10 1n4j s LEU 73 CO 0.38 -1.11 0.62 -0.83 -0.55 0.00 0.00 176.35 174.86 1n4j s GLY 74 N -2.90 -0.58 0.15 -3.48 0.00 -0.83 -2.28 107.32 97.40 1n4j s GLY 74 Ca 0.11 0.84 -0.16 0.00 0.00 0.00 0.00 44.72 45.52 1n4j s GLY 74 CO 0.00 0.50 0.43 0.66 0.00 0.00 0.00 173.10 174.70 1n4j s TRP 75 N -2.52 -0.13 0.03 1.90 -2.14 -0.87 -1.67 118.94 113.53 1n4j s TRP 75 Ca -0.05 -0.20 0.06 0.00 2.66 0.00 0.00 56.10 58.58 1n4j s TRP 75 Cb -0.01 0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 30.62 1n4j s TRP 75 CO -0.02 -0.77 -0.18 0.99 -2.66 0.00 0.00 176.95 174.31 1n4j s THR 76 N -3.84 1.40 -0.11 0.66 2.01 -0.00 -1.26 115.64 114.49 1n4j s THR 76 Ca 0.06 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1n4j s THR 76 Cb 0.01 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.32 1n4j s THR 76 CO -0.08 0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.22 1n4j s VAL 77 N -0.71 1.28 -0.14 3.82 1.01 -0.81 -2.14 120.40 122.72 1n4j s VAL 77 Ca 0.05 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1n4j s VAL 77 Cb -0.08 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1n4j s VAL 77 CO 0.01 0.40 0.45 0.00 0.00 0.00 0.00 175.10 175.96 1n4j s ALA 78 N 1.25 3.50 -0.59 5.51 0.00 -1.26 -1.93 121.76 128.24 1n4j s ALA 78 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 1n4j s ALA 78 Cb -0.14 -2.63 -0.15 0.00 0.00 0.00 0.00 23.12 20.20 1n4j s ALA 78 CO -0.04 -0.05 3.25 0.91 0.00 0.00 0.00 175.76 179.83 1n4j n TRP 79 N 3.81 1.05 -4.60 0.00 7.02 0.83 -4.81 117.44 120.74 1n4j n TRP 79 Ca -0.08 -2.08 -0.23 0.00 -1.02 0.00 0.00 57.50 54.09 1n4j n TRP 79 Cb 0.51 -1.83 -0.14 0.00 -2.42 0.00 0.00 31.31 27.43 1n4j n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n4j s LYS 80 N 0.82 1.23 0.00 -0.99 2.20 -1.26 -1.73 119.74 120.00 1n4j s LYS 80 Ca 0.66 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1n4j s LYS 80 Cb 0.28 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 1n4j s LYS 80 CO -0.05 0.33 0.00 0.27 -0.36 0.00 0.00 175.35 175.54 1n4j n ASN 81 N 2.13 0.00 0.13 1.43 0.23 0.71 -4.85 115.26 115.03 1n4j n ASN 81 Ca -0.17 -0.90 0.11 0.00 -0.53 0.00 0.00 54.58 53.10 1n4j n ASN 81 Cb 0.54 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.73 1n4j n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n4j n ASN 82 N -1.38 0.58 -0.00 0.53 3.02 -1.26 -3.15 115.26 113.59 1n4j n ASN 82 Ca 0.00 0.68 0.02 0.00 -0.03 0.00 0.00 54.58 55.25 1n4j n ASN 82 Cb 0.00 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 1n4j n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n4j n TYR 83 N -2.18 0.00 -3.62 3.10 4.02 -1.26 -5.08 117.16 112.14 1n4j n TYR 83 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 1n4j n TYR 83 Cb 0.17 -0.10 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1n4j n TYR 83 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1n4j s ARG 84 N -2.26 1.35 -0.20 -0.72 1.70 -1.19 -5.14 118.95 112.50 1n4j s ARG 84 Ca -0.01 -0.63 -0.04 0.00 -0.47 0.00 0.00 55.73 54.57 1n4j s ARG 84 Cb 0.03 0.53 0.09 0.00 -0.57 0.00 0.00 34.95 35.03 1n4j s ARG 84 CO 0.19 -0.60 0.21 1.21 -1.08 0.00 0.00 175.30 175.23 1n4j s ASN 85 N -2.79 1.38 0.00 -2.89 3.84 -1.26 -0.21 114.94 113.01 1n4j s ASN 85 Ca 0.06 -0.21 0.17 0.00 0.21 0.00 0.00 52.86 53.10 1n4j s ASN 85 Cb -0.03 0.36 0.49 0.00 -0.55 0.00 0.00 41.25 41.52 1n4j s ASN 85 CO -0.04 -0.32 1.41 0.00 -2.79 0.00 0.00 177.10 175.36 1n4j n ALA 86 N 5.32 2.42 -3.97 1.71 0.00 -0.71 -4.96 120.51 120.32 1n4j n ALA 86 Ca -0.06 -0.91 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 1n4j n ALA 86 Cb 0.50 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1n4j n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n4j n HIS 87 N 1.05 -1.61 -3.80 0.00 8.25 -1.26 -4.90 115.22 112.95 1n4j n HIS 87 Ca 0.18 0.60 -0.06 0.00 -0.26 0.00 0.00 57.72 58.18 1n4j n HIS 87 Cb 0.46 -3.45 -0.02 0.00 1.12 0.00 0.00 29.99 28.09 1n4j n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n4j s SER 88 N -4.13 -0.26 -0.04 0.41 1.04 -1.26 -1.87 113.70 107.58 1n4j s SER 88 Ca 0.13 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 1n4j s SER 88 Cb -0.06 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1n4j s SER 88 CO 0.91 -1.19 0.32 0.00 0.98 0.00 0.00 173.24 174.26 1n4j s ALA 89 N -3.72 -0.80 -0.05 5.32 0.00 -0.62 -0.12 121.76 121.77 1n4j s ALA 89 Ca 0.11 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.61 1n4j s ALA 89 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1n4j s ALA 89 CO 0.04 -0.24 -0.22 0.99 0.00 0.00 0.00 175.76 176.34 1n4j s THR 90 N -0.95 2.40 -0.04 0.00 2.01 -0.81 -1.23 115.64 117.01 1n4j s THR 90 Ca -0.10 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.01 1n4j s THR 90 Cb -0.05 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1n4j s THR 90 CO 0.03 0.58 -0.25 0.42 -0.69 0.00 0.00 174.62 174.71 1n4j s THR 91 N -0.41 2.04 -0.13 -0.82 -4.23 -0.56 -1.92 115.64 109.62 1n4j s THR 91 Ca 0.04 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1n4j s THR 91 Cb -0.12 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 1n4j s THR 91 CO 0.02 0.57 -0.08 0.26 -0.54 0.00 0.00 174.62 174.85 1n4j s TRP 92 N -0.33 2.93 -0.09 3.99 0.51 -0.39 -1.86 118.94 123.70 1n4j s TRP 92 Ca 0.02 -0.34 0.02 0.00 -2.12 0.00 0.00 56.10 53.67 1n4j s TRP 92 Cb -0.12 -1.87 0.01 0.00 -0.81 0.00 0.00 33.47 30.68 1n4j s TRP 92 CO 0.02 -0.02 -0.14 0.45 -0.51 0.00 0.00 176.95 176.75 1n4j s SER 93 N 0.11 2.19 0.00 2.95 0.15 -0.36 -2.05 113.70 116.69 1n4j s SER 93 Ca -0.03 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1n4j s SER 93 Cb -0.14 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1n4j s SER 93 CO 0.03 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1n4j n GLY 94 N 4.10 1.30 3.21 9.45 0.00 -0.97 -1.21 105.19 121.08 1n4j n GLY 94 Ca -0.20 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1n4j n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n4j s GLN 95 N 1.75 0.55 -0.06 1.61 -2.07 -0.63 -2.45 119.66 118.36 1n4j s GLN 95 Ca 0.00 -0.01 -0.24 0.00 -1.82 0.00 0.00 55.36 53.29 1n4j s GLN 95 Cb 0.00 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.13 1n4j s GLN 95 CO 0.00 -0.13 0.75 -0.47 -1.32 0.00 0.00 175.29 174.12 1n4j s TYR 96 N -0.83 3.58 -0.21 9.60 5.04 -0.36 -1.89 117.35 132.29 1n4j s TYR 96 Ca -0.09 1.31 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 1n4j s TYR 96 Cb -0.04 -2.86 0.01 0.00 0.35 0.00 0.00 41.96 39.42 1n4j s TYR 96 CO 0.03 0.06 -0.12 0.08 -1.34 0.00 0.00 175.55 174.26 1n4j s VAL 97 N 0.88 2.70 0.96 3.14 1.01 -0.13 -1.50 120.40 127.47 1n4j s VAL 97 Ca 0.40 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1n4j s VAL 97 Cb -0.18 -2.21 0.22 0.00 0.00 0.00 0.00 36.38 34.20 1n4j s VAL 97 CO 0.19 0.45 1.31 -0.83 0.00 0.00 0.00 175.10 176.23 1n4j s GLY 98 N 1.37 1.82 0.00 4.51 0.00 -1.26 -1.51 107.32 112.25 1n4j s GLY 98 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1n4j s GLY 98 CO -0.08 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1n4j n GLY 99 N -3.74 0.43 0.30 0.20 0.00 -1.26 -4.53 105.19 96.59 1n4j n GLY 99 Ca 0.17 -2.28 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 1n4j n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4j h ALA 100 N 0.00 0.91 -1.89 4.61 0.00 -2.06 -3.19 119.26 117.64 1n4j h ALA 100 Ca 0.00 -0.30 -0.68 0.00 0.00 0.00 0.00 54.91 53.93 1n4j h ALA 100 Cb 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 17.79 17.21 1n4j h ALA 100 CO 0.00 0.65 0.05 -1.91 0.00 0.00 0.00 179.25 178.04 1n4j n GLU 101 N -4.19 4.04 -1.67 0.00 0.00 -1.26 -5.06 120.64 112.50 1n4j n GLU 101 Ca 0.03 -4.76 -0.39 0.00 0.00 0.00 0.00 57.16 52.04 1n4j n GLU 101 Cb 0.33 -2.34 0.03 0.00 0.00 0.00 0.00 31.44 29.46 1n4j n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n4j n ALA 102 N 0.03 0.81 -3.18 4.31 0.00 -1.21 -4.93 120.51 116.34 1n4j n ALA 102 Ca 0.36 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1n4j n ALA 102 Cb 0.34 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1n4j n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n4j s ARG 103 N -2.49 1.18 -0.19 0.00 1.70 -0.57 -4.40 118.95 114.18 1n4j s ARG 103 Ca 0.68 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 55.31 1n4j s ARG 103 Cb -0.47 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 1n4j s ARG 103 CO 0.52 -0.49 -0.19 0.42 -1.08 0.00 0.00 175.30 174.49 1n4j s ILE 104 N -3.79 2.06 -0.27 4.99 1.01 -0.92 -0.95 121.20 123.32 1n4j s ILE 104 Ca 0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1n4j s ILE 104 Cb 0.01 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1n4j s ILE 104 CO -0.11 0.50 0.17 0.20 0.00 0.00 0.00 174.94 175.70 1n4j s ASN 105 N 1.28 5.95 0.26 3.58 0.02 -0.79 -1.10 114.94 124.13 1n4j s ASN 105 Ca 0.04 -0.01 0.06 0.00 -1.02 0.00 0.00 52.86 51.93 1n4j s ASN 105 Cb -0.14 -2.10 -0.06 0.00 0.02 0.00 0.00 41.25 38.98 1n4j s ASN 105 CO -0.12 -0.03 -0.05 0.42 0.02 0.00 0.00 177.10 177.33 1n4j s THR 106 N 1.66 1.51 0.07 1.60 -4.23 -0.10 -1.60 115.64 114.54 1n4j s THR 106 Ca 0.07 -2.11 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1n4j s THR 106 Cb -0.16 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1n4j s THR 106 CO 0.10 -0.32 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.50 1n4j s GLN 107 N -3.75 1.59 0.10 3.99 -0.21 -0.35 -2.30 119.66 118.73 1n4j s GLN 107 Ca 0.29 -1.13 0.03 0.00 0.02 0.00 0.00 55.36 54.57 1n4j s GLN 107 Cb 0.04 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 1n4j s GLN 107 CO 0.11 0.46 -0.09 1.67 -2.12 0.00 0.00 175.29 175.32 1n4j s TRP 108 N -0.88 1.02 -0.10 0.91 1.48 -0.60 -1.22 118.94 119.55 1n4j s TRP 108 Ca 0.11 -0.75 0.02 0.00 -1.06 0.00 0.00 56.10 54.42 1n4j s TRP 108 Cb -0.10 -0.56 0.01 0.00 -1.16 0.00 0.00 33.47 31.66 1n4j s TRP 108 CO 0.03 -0.04 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.21 1n4j s LEU 109 N -2.73 1.80 -0.25 -4.66 1.43 -0.78 -1.19 118.68 112.30 1n4j s LEU 109 Ca 0.09 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1n4j s LEU 109 Cb 0.00 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1n4j s LEU 109 CO -0.01 0.04 -0.06 -0.22 0.23 0.00 0.00 176.35 176.33 1n4j s LEU 110 N 0.83 3.23 -0.14 1.79 2.96 0.03 -1.50 118.68 125.89 1n4j s LEU 110 Ca -0.10 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 52.87 1n4j s LEU 110 Cb -0.16 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1n4j s LEU 110 CO 0.01 -0.14 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.97 1n4j s THR 111 N 1.31 3.92 0.01 3.68 2.01 -0.36 -0.94 115.64 125.26 1n4j s THR 111 Ca -0.00 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1n4j s THR 111 Cb -0.17 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1n4j s THR 111 CO -0.04 0.51 0.07 -0.44 -0.69 0.00 0.00 174.62 174.03 1n4j s SER 112 N 0.19 5.60 0.06 3.53 0.01 -0.94 -1.59 113.70 120.56 1n4j s SER 112 Ca -0.02 0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.04 1n4j s SER 112 Cb -0.14 -1.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.46 1n4j s SER 112 CO 0.03 0.26 1.24 -0.83 0.41 0.00 0.00 173.24 174.35 1n4j s GLY 113 N -1.82 2.29 0.30 3.44 0.00 -0.78 -4.90 107.32 105.85 1n4j s GLY 113 Ca 0.24 0.89 0.03 0.00 0.00 0.00 0.00 44.72 45.87 1n4j s GLY 113 CO 0.15 2.12 0.09 -0.51 0.00 0.00 0.00 173.10 174.95 1n4j s THR 114 N 1.18 0.75 0.94 0.90 -4.23 -1.26 -5.05 115.64 108.87 1n4j s THR 114 Ca 0.60 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 1n4j s THR 114 Cb -0.31 -2.65 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1n4j s THR 114 CO 0.29 0.00 1.16 0.42 -0.54 0.00 0.00 174.62 175.95 1n4j s THR 115 N -3.53 1.96 0.27 3.99 -4.23 -1.26 -4.88 115.64 107.96 1n4j s THR 115 Ca 0.36 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1n4j s THR 115 Cb 0.07 -2.77 0.25 0.00 1.34 0.00 0.00 72.50 71.39 1n4j s THR 115 CO 0.15 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.64 1n4j h GLU 116 N -1.59 0.53 0.00 3.99 4.39 -2.01 -2.58 114.58 117.31 1n4j h GLU 116 Ca -0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1n4j h GLU 116 Cb 1.32 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1n4j h GLU 116 CO 0.57 0.35 -0.62 0.00 -1.16 0.00 0.00 179.01 178.15 1n4j h ALA 117 N 1.59 0.68 -0.60 3.43 0.00 -2.07 -3.31 119.26 118.98 1n4j h ALA 117 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1n4j h ALA 117 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n4j h ALA 117 CO -0.41 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.93 1n4j n ASN 118 N -2.71 3.92 -0.18 0.00 5.03 -0.99 -4.46 115.26 115.86 1n4j n ASN 118 Ca 0.02 -2.16 0.17 0.00 0.87 0.00 0.00 54.58 53.48 1n4j n ASN 118 Cb 0.52 -0.45 0.52 0.00 -1.02 0.00 0.00 39.78 39.35 1n4j n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4j h ALA 119 N 3.60 2.17 0.00 5.41 0.00 -1.59 -1.56 119.26 127.29 1n4j h ALA 119 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1n4j h ALA 119 Cb 1.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n4j h ALA 119 CO 0.07 -0.40 -0.11 0.11 0.00 0.00 0.00 179.25 178.92 1n4j h TRP 120 N 0.39 0.00 -0.79 0.00 5.08 -1.87 -1.12 115.95 117.65 1n4j h TRP 120 Ca 0.40 0.00 -0.41 0.00 1.08 0.00 0.00 58.89 59.96 1n4j h TRP 120 Cb 0.97 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 26.88 1n4j h TRP 120 CO -0.00 0.11 0.41 0.36 -1.28 0.00 0.00 178.44 178.04 1n4j n LYS 121 N -3.63 2.12 0.07 0.12 2.85 -0.59 -4.67 118.16 114.43 1n4j n LYS 121 Ca -0.02 -3.07 0.12 0.00 -1.05 0.00 0.00 58.31 54.29 1n4j n LYS 121 Cb 0.23 -2.06 0.15 0.00 -0.65 0.00 0.00 35.03 32.70 1n4j n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n4j h SER 122 N 1.01 0.00 -3.24 -5.58 4.64 -1.26 -3.47 113.55 105.64 1n4j h SER 122 Ca 0.50 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 61.13 1n4j h SER 122 Cb 2.48 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 64.21 1n4j h SER 122 CO 0.87 0.09 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.23 1n4j s THR 123 N -3.19 1.00 0.18 2.95 2.01 -1.26 -2.21 115.64 115.12 1n4j s THR 123 Ca 0.05 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 1n4j s THR 123 Cb 0.13 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.56 1n4j s THR 123 CO 0.73 0.35 0.54 -0.76 -0.69 0.00 0.00 174.62 174.79 1n4j s LEU 124 N 1.48 4.26 -0.03 4.42 1.43 -0.12 -4.92 118.68 125.20 1n4j s LEU 124 Ca 0.00 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1n4j s LEU 124 Cb -0.13 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1n4j s LEU 124 CO -0.05 0.02 -0.20 0.54 0.23 0.00 0.00 176.35 176.88 1n4j s VAL 125 N -1.63 1.65 0.00 -1.59 0.11 -1.26 -0.79 120.40 116.89 1n4j s VAL 125 Ca 0.42 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1n4j s VAL 125 Cb -0.13 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1n4j s VAL 125 CO 0.20 0.47 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1n4j n GLY 126 N 2.78 3.37 3.38 6.54 0.00 -0.33 -5.00 105.19 115.92 1n4j n GLY 126 Ca -0.16 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 1n4j n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n4j s HIS 127 N -3.53 -0.31 -0.02 1.61 -3.43 -1.26 -1.56 115.29 106.80 1n4j s HIS 127 Ca 0.00 0.02 -0.29 0.00 -0.80 0.00 0.00 55.06 53.99 1n4j s HIS 127 Cb 0.00 0.38 0.08 0.00 -1.43 0.00 0.00 32.58 31.61 1n4j s HIS 127 CO 0.00 -0.78 0.73 0.34 -2.00 0.00 0.00 174.74 173.03 1n4j s ASP 128 N -2.80 -0.57 -0.04 7.38 -1.08 -0.97 -4.96 116.67 113.63 1n4j s ASP 128 Ca 0.03 0.45 0.04 0.00 -0.52 0.00 0.00 52.55 52.55 1n4j s ASP 128 Cb 0.00 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.97 1n4j s ASP 128 CO -0.11 -0.65 -0.14 -0.89 0.52 0.00 0.00 175.17 173.90 1n4j s THR 129 N -1.90 1.21 0.01 1.71 2.01 -1.26 -0.93 115.64 116.50 1n4j s THR 129 Ca -0.06 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.41 1n4j s THR 129 Cb -0.00 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1n4j s THR 129 CO 0.02 0.36 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.79 1n4j s PHE 130 N 0.16 2.63 0.26 4.92 0.40 -0.26 -3.73 117.98 122.36 1n4j s PHE 130 Ca -0.05 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1n4j s PHE 130 Cb -0.11 -1.53 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 1n4j s PHE 130 CO 0.02 0.24 0.06 0.95 0.70 0.00 0.00 175.22 177.19 1n4j s THR 131 N -0.88 0.80 -0.33 0.64 -4.23 -0.90 -2.17 115.64 108.58 1n4j s THR 131 Ca 0.14 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.86 1n4j s THR 131 Cb -0.11 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.33 1n4j s THR 131 CO 0.04 -0.10 1.36 0.11 -0.54 0.00 0.00 174.62 175.49 1n4j h LYS 132 N 2.36 0.00 -0.00 3.99 1.57 -1.82 -0.79 116.57 121.88 1n4j h LYS 132 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1n4j h LYS 132 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1n4j h LYS 132 CO 0.64 0.06 0.00 0.28 -0.57 0.00 0.00 179.45 179.85