#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nn5 n THR -9 N 0.00 1.38 -0.18 2.61 -2.24 -1.26 -4.67 114.28 109.91 2nn5 n THR -9 Ca 0.00 -1.20 -0.10 0.00 -2.27 0.00 0.00 64.05 60.48 2nn5 n THR -9 Cb 0.00 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2nn5 n THR -9 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2nn5 h GLU -8 N 2.51 0.95 -0.29 -0.78 3.07 -1.99 -0.56 114.58 117.49 2nn5 h GLU -8 Ca 0.00 -0.32 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2nn5 h GLU -8 Cb 1.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 2nn5 h GLU -8 CO 0.08 0.97 0.10 -0.97 -1.40 0.00 0.00 179.01 177.80 2nn5 h ASN -7 N 0.82 0.42 -0.50 1.42 -1.24 -1.94 -0.85 115.58 113.70 2nn5 h ASN -7 Ca 0.15 -0.19 -0.11 0.00 0.71 0.00 0.00 56.30 56.86 2nn5 h ASN -7 Cb 0.56 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 2nn5 h ASN -7 CO 0.03 0.49 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.49 2nn5 h LEU -6 N 0.32 0.99 -0.58 0.34 3.38 -1.82 -0.59 115.31 117.34 2nn5 h LEU -6 Ca 0.10 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2nn5 h LEU -6 Cb 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2nn5 h LEU -6 CO -0.01 1.10 0.25 0.22 0.09 0.00 0.00 178.44 180.09 2nn5 h TYR -5 N 0.88 0.87 -0.06 1.13 5.03 -0.99 -0.13 116.97 123.69 2nn5 h TYR -5 Ca 0.14 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 2nn5 h TYR -5 Cb 0.66 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 2nn5 h TYR -5 CO 0.04 0.69 0.04 0.35 -1.32 0.00 0.00 178.16 177.96 2nn5 h PHE -4 N 0.80 0.08 -0.94 -3.82 3.57 -0.81 -2.39 116.94 113.43 2nn5 h PHE -4 Ca 0.20 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.78 2nn5 h PHE -4 Cb 0.17 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 2nn5 h PHE -4 CO 0.00 0.09 0.59 1.96 -2.23 0.00 0.00 178.31 178.73 2nn5 h GLN -3 N 0.05 0.99 -0.03 1.11 1.08 -0.87 -0.83 115.11 116.61 2nn5 h GLN -3 Ca 0.02 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 2nn5 h GLN -3 Cb 0.04 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 2nn5 h GLN -3 CO -0.00 0.65 -0.45 0.66 -0.95 0.00 0.00 178.83 178.74 2nn5 h SER -2 N 1.02 0.06 0.45 1.46 4.64 -0.78 -2.12 113.55 118.27 2nn5 h SER -2 Ca 0.43 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2nn5 h SER -2 Cb 0.28 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2nn5 h SER -2 CO -0.21 0.50 -0.53 0.59 -0.87 0.00 0.00 176.83 176.31 2nn5 n ASN -1 N -4.00 0.57 -4.33 4.97 3.02 -0.84 -4.84 115.26 109.80 2nn5 n ASN -1 Ca -0.02 -0.34 -0.44 0.00 -0.03 0.00 0.00 54.58 53.76 2nn5 n ASN -1 Cb 0.48 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 2nn5 n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nn5 n ALA 0 N -1.47 4.22 0.00 5.41 0.00 -0.38 -4.71 120.51 123.58 2nn5 n ALA 0 Ca 0.06 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.23 2nn5 n ALA 0 Cb 0.34 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.75 2nn5 n ALA 0 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2nn5 n LYS 2 N 5.22 0.00 -1.74 0.00 3.00 -1.26 -4.93 118.16 118.45 2nn5 n LYS 2 Ca 0.37 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.27 2nn5 n LYS 2 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.44 2nn5 n LYS 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2nn5 n ASP 3 N 0.00 3.45 -4.06 3.14 8.00 -1.26 -4.46 116.55 121.35 2nn5 n ASP 3 Ca 0.00 1.21 -0.14 0.00 0.71 0.00 0.00 54.79 56.56 2nn5 n ASP 3 Cb 0.00 -1.57 -0.12 0.00 -0.02 0.00 0.00 41.12 39.41 2nn5 n ASP 3 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2nn5 s THR 4 N -0.90 0.62 0.01 -3.53 -4.23 0.61 -4.99 115.64 103.23 2nn5 s THR 4 Ca 0.56 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 60.11 2nn5 s THR 4 Cb -0.51 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 2nn5 s THR 4 CO 0.61 -0.26 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.03 2nn5 s PHE 5 N -1.14 0.26 -0.00 3.99 0.40 -1.26 -1.04 117.98 119.19 2nn5 s PHE 5 Ca -0.07 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2nn5 s PHE 5 Cb -0.09 -0.17 -0.00 0.00 0.51 0.00 0.00 43.02 43.27 2nn5 s PHE 5 CO 0.01 -0.08 0.08 0.50 0.70 0.00 0.00 175.22 176.43 2nn5 s ARG 6 N -0.77 0.34 -0.14 0.44 3.52 -0.25 -4.99 118.95 117.10 2nn5 s ARG 6 Ca -0.07 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.24 2nn5 s ARG 6 Cb -0.05 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 2nn5 s ARG 6 CO -0.00 -0.07 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.04 2nn5 s LEU 7 N -1.03 2.05 -0.07 -0.88 2.96 -1.26 -0.33 118.68 120.12 2nn5 s LEU 7 Ca -0.11 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.20 2nn5 s LEU 7 Cb -0.06 -1.40 0.03 0.00 0.50 0.00 0.00 46.19 45.26 2nn5 s LEU 7 CO 0.00 0.06 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.48 2nn5 s GLU 8 N 0.92 0.65 -1.27 1.98 2.02 -0.31 -4.93 118.70 117.76 2nn5 s GLU 8 Ca -0.05 0.09 -0.12 0.00 0.02 0.00 0.00 54.97 54.91 2nn5 s GLU 8 Cb -0.15 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.08 2nn5 s GLU 8 CO -0.04 -0.30 0.61 -1.71 0.02 0.00 0.00 175.26 173.84 2nn5 n ASN 9 N 5.14 -2.83 0.00 -0.19 4.05 -1.26 -1.17 115.26 119.00 2nn5 n ASN 9 Ca -0.07 -1.04 0.00 0.00 0.45 0.00 0.00 54.58 53.92 2nn5 n ASN 9 Cb 0.50 -3.08 0.00 0.00 1.23 0.00 0.00 39.78 38.43 2nn5 n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2nn5 n GLN 10 N -4.37 0.00 -3.33 1.20 1.13 -1.26 -4.93 117.38 105.82 2nn5 n GLN 10 Ca -0.20 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.48 2nn5 n GLN 10 Cb 0.63 -3.47 -0.06 0.00 0.11 0.00 0.00 30.24 27.45 2nn5 n GLN 10 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2nn5 s THR 11 N -1.58 5.10 -0.14 5.09 2.01 -0.32 -3.72 115.64 122.09 2nn5 s THR 11 Ca 0.00 0.98 -0.11 0.00 0.31 0.00 0.00 61.69 62.87 2nn5 s THR 11 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2nn5 s THR 11 CO 0.00 0.39 0.23 -0.63 -0.69 0.00 0.00 174.62 173.92 2nn5 s ILE 12 N 0.14 5.35 -0.11 1.82 1.01 -0.47 -1.16 121.20 127.77 2nn5 s ILE 12 Ca 0.26 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 2nn5 s ILE 12 Cb -0.16 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2nn5 s ILE 12 CO 0.12 0.48 -0.08 -0.31 0.00 0.00 0.00 174.94 175.14 2nn5 s TYR 13 N -0.08 2.91 -0.01 3.97 1.51 0.56 -0.23 117.35 125.97 2nn5 s TYR 13 Ca 0.15 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 2nn5 s TYR 13 Cb -0.13 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2nn5 s TYR 13 CO 0.03 0.06 -0.17 0.12 -1.11 0.00 0.00 175.55 174.48 2nn5 s PHE 14 N -0.13 1.54 0.02 2.71 5.36 -0.32 -1.09 117.98 126.07 2nn5 s PHE 14 Ca 0.01 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 2nn5 s PHE 14 Cb -0.13 -0.99 -0.01 0.00 -0.34 0.00 0.00 43.02 41.54 2nn5 s PHE 14 CO 0.03 -0.02 -0.06 0.20 -1.46 0.00 0.00 175.22 173.91 2nn5 s GLY 15 N -0.44 0.36 0.32 13.12 0.00 -0.21 -0.13 107.32 120.35 2nn5 s GLY 15 Ca 0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 2nn5 s GLY 15 CO -0.01 -0.49 0.55 -1.08 0.00 0.00 0.00 173.10 172.08 2nn5 s THR 16 N -0.75 0.00 0.03 0.90 -1.32 0.14 -0.29 115.64 114.35 2nn5 s THR 16 Ca -0.04 -1.39 0.02 0.00 -1.21 0.00 0.00 61.69 59.06 2nn5 s THR 16 Cb -0.06 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 2nn5 s THR 16 CO 0.00 0.00 -0.06 -1.61 -2.21 0.00 0.00 174.62 170.74 2nn5 s GLU 17 N -3.22 0.45 -0.11 7.08 2.02 -1.26 -0.98 118.70 122.68 2nn5 s GLU 17 Ca 0.24 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.62 2nn5 s GLU 17 Cb -0.02 -0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.02 2nn5 s GLU 17 CO 0.14 0.04 -0.11 1.03 0.02 0.00 0.00 175.26 176.38 2nn5 s ARG 18 N -1.30 1.83 -0.32 1.61 1.81 0.45 -4.86 118.95 118.17 2nn5 s ARG 18 Ca -0.09 -0.39 -0.26 0.00 -1.72 0.00 0.00 55.73 53.27 2nn5 s ARG 18 Cb -0.09 -1.70 0.01 0.00 -0.45 0.00 0.00 34.95 32.72 2nn5 s ARG 18 CO 0.00 -0.17 0.91 0.00 -0.68 0.00 0.00 175.30 175.36 2nn5 s ALA 19 N 1.35 3.50 -0.09 2.13 0.00 -1.26 -0.72 121.76 126.66 2nn5 s ALA 19 Ca -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2nn5 s ALA 19 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2nn5 s ALA 19 CO -0.05 -1.36 -0.20 0.42 0.00 0.00 0.00 175.76 174.56 2nn5 s ILE 20 N 3.27 1.79 -1.54 0.00 1.01 -0.17 -5.00 121.20 120.56 2nn5 s ILE 20 Ca 0.38 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 2nn5 s ILE 20 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 2nn5 s ILE 20 CO 0.14 0.50 2.74 -1.20 0.00 0.00 0.00 174.94 177.12 2nn5 n SER 21 N 3.68 7.94 -3.96 3.58 7.64 -1.26 -1.03 113.62 130.20 2nn5 n SER 21 Ca -0.20 -2.73 -0.10 0.00 1.01 0.00 0.00 58.87 56.86 2nn5 n SER 21 Cb 0.52 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 2nn5 n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nn5 s ALA 22 N 1.61 -0.12 0.67 -0.43 0.00 -0.61 -4.83 121.76 118.05 2nn5 s ALA 22 Ca 0.63 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 2nn5 s ALA 22 Cb 0.17 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 2nn5 s ALA 22 CO -0.07 -0.74 1.07 -1.54 0.00 0.00 0.00 175.76 174.48 2nn5 s SER 23 N -2.99 5.41 0.42 0.00 1.04 -1.26 -2.56 113.70 113.76 2nn5 s SER 23 Ca 0.20 1.74 0.12 0.00 0.48 0.00 0.00 55.95 58.48 2nn5 s SER 23 Cb 0.02 -2.52 0.96 0.00 0.10 0.00 0.00 66.02 64.58 2nn5 s SER 23 CO 0.04 -1.42 1.98 -0.65 0.98 0.00 0.00 173.24 174.17 2nn5 h PRO 24 N -0.30 0.47 -0.65 4.02 0.11 -1.88 -1.47 132.00 132.31 2nn5 h PRO 24 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2nn5 h PRO 24 Cb 1.22 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2nn5 h PRO 24 CO 0.56 0.31 0.15 1.96 -0.21 0.00 0.00 178.00 180.78 2nn5 h GLN 25 N 0.49 1.02 -0.13 1.05 7.50 -1.92 0.31 115.11 123.44 2nn5 h GLN 25 Ca 0.27 -0.23 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 2nn5 h GLN 25 Cb 0.44 -0.14 -0.00 0.00 0.05 0.00 0.00 27.48 27.82 2nn5 h GLN 25 CO -0.08 0.91 -0.01 1.15 -1.50 0.00 0.00 178.83 179.30 2nn5 h THR 26 N 0.97 1.27 -0.30 -0.54 2.02 -1.67 -3.16 112.91 111.50 2nn5 h THR 26 Ca 0.21 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 2nn5 h THR 26 Cb 0.35 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2nn5 h THR 26 CO 0.00 0.26 -0.11 0.40 0.37 0.00 0.00 175.52 176.44 2nn5 h ILE 27 N -0.06 1.23 -0.55 3.11 2.04 -1.05 -2.33 117.51 119.90 2nn5 h ILE 27 Ca 0.03 -1.00 0.10 0.00 1.00 0.00 0.00 64.86 65.00 2nn5 h ILE 27 Cb 0.40 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2nn5 h ILE 27 CO 0.01 0.33 0.37 -0.25 0.00 0.00 0.00 178.15 178.61 2nn5 h TRP 28 N 0.47 0.31 0.00 1.37 2.91 -0.90 -0.26 115.95 119.85 2nn5 h TRP 28 Ca 0.09 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.06 2nn5 h TRP 28 Cb 0.48 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 2nn5 h TRP 28 CO 0.02 0.15 -0.26 0.00 -1.03 0.00 0.00 178.44 177.31 2nn5 h ARG 29 N 0.29 0.00 0.00 2.65 3.08 -1.41 -1.28 114.38 117.71 2nn5 h ARG 29 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2nn5 h ARG 29 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2nn5 h ARG 29 CO -0.06 0.26 0.00 0.66 -1.07 0.00 0.00 179.97 179.77 2nn5 n TYR 30 N -4.21 0.00 0.89 3.04 4.02 -0.11 -1.87 117.16 118.92 2nn5 n TYR 30 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.96 2nn5 n TYR 30 Cb 0.32 -0.50 -0.12 0.00 -0.02 0.00 0.00 39.34 39.02 2nn5 n TYR 30 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2nn5 n LEU 31 N -1.50 0.89 0.00 7.72 4.77 -0.51 -3.60 117.00 124.78 2nn5 n LEU 31 Ca 0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2nn5 n LEU 31 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2nn5 n LEU 31 CO 0.19 0.22 0.24 0.35 -1.33 0.00 0.00 177.39 177.07 2nn5 n THR 32 N -1.52 0.24 -4.16 -5.08 -2.24 -1.01 -5.01 114.28 95.50 2nn5 n THR 32 Ca 0.03 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 2nn5 n THR 32 Cb 0.33 1.14 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 2nn5 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2nn5 s GLU 33 N -0.24 1.01 0.25 -0.78 2.02 -0.78 -4.95 118.70 115.23 2nn5 s GLU 33 Ca 0.00 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.79 2nn5 s GLU 33 Cb 0.00 -1.02 0.26 0.00 0.10 0.00 0.00 34.13 33.47 2nn5 s GLU 33 CO 0.00 -0.11 1.93 1.15 0.02 0.00 0.00 175.26 178.25 2nn5 h THR 34 N 6.14 1.25 0.00 3.63 2.02 -1.94 1.00 112.91 125.01 2nn5 h THR 34 Ca -0.33 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2nn5 h THR 34 Cb 1.15 -0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2nn5 h THR 34 CO 0.44 0.25 -0.15 -2.24 0.37 0.00 0.00 175.52 174.18 2nn5 h ASP 35 N 1.35 0.00 0.17 4.18 2.03 -1.95 -0.13 116.42 122.07 2nn5 h ASP 35 Ca 0.37 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 56.32 2nn5 h ASP 35 Cb -0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 2nn5 h ASP 35 CO -0.08 0.15 -1.78 0.11 -1.03 0.00 0.00 179.24 176.61 2nn5 h LYS 36 N 0.00 0.36 -0.80 4.15 1.57 -1.62 -3.31 116.57 116.93 2nn5 h LYS 36 Ca -0.00 -0.62 0.05 0.00 -1.87 0.00 0.00 60.65 58.21 2nn5 h LYS 36 Cb 0.67 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 2nn5 h LYS 36 CO 0.02 1.30 0.49 1.25 -0.57 0.00 0.00 179.45 181.94 2nn5 h LEU 37 N 0.07 0.78 -1.34 2.94 5.85 -0.56 -0.93 115.31 122.12 2nn5 h LEU 37 Ca -0.36 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2nn5 h LEU 37 Cb 2.07 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.94 2nn5 h LEU 37 CO 0.15 0.51 0.00 0.11 -0.34 0.00 0.00 178.44 178.88 2nn5 h LYS 38 N 0.92 0.00 0.00 1.25 1.57 -1.15 0.06 116.57 119.22 2nn5 h LYS 38 Ca 0.34 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2nn5 h LYS 38 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2nn5 h LYS 38 CO -0.15 0.00 -0.14 1.96 -0.57 0.00 0.00 179.45 180.54 2nn5 h GLN 39 N 0.00 0.00 0.00 3.15 4.20 -1.24 -3.26 115.11 117.95 2nn5 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nn5 h GLN 39 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2nn5 h GLN 39 CO 0.00 0.14 -0.97 -2.67 -0.67 0.00 0.00 178.83 174.66 2nn5 n TRP 40 N -3.59 0.00 -3.38 2.96 4.27 -0.90 -4.90 117.44 111.89 2nn5 n TRP 40 Ca -0.01 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.34 2nn5 n TRP 40 Cb 0.28 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.13 2nn5 n TRP 40 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2nn5 s PHE 41 N -1.95 0.69 0.59 -2.67 2.19 -0.04 -4.77 117.98 112.02 2nn5 s PHE 41 Ca 0.00 -1.85 0.29 0.00 0.33 0.00 0.00 56.93 55.69 2nn5 s PHE 41 Cb 0.00 -0.80 1.71 0.00 -1.31 0.00 0.00 43.02 42.62 2nn5 s PHE 41 CO 0.00 -0.86 2.17 -1.35 1.83 0.00 0.00 175.22 177.01 2nn5 h PRO 42 N 6.23 0.00 0.00 10.12 0.11 -1.77 -1.19 132.00 145.50 2nn5 h PRO 42 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2nn5 h PRO 42 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2nn5 h PRO 42 CO 0.30 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.48 2nn5 n GLU 43 N -3.86 0.16 -3.52 1.05 4.71 -1.26 -4.85 120.64 113.06 2nn5 n GLU 43 Ca -0.01 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.94 2nn5 n GLU 43 Cb 0.21 -1.69 -0.05 0.00 -1.01 0.00 0.00 31.44 28.90 2nn5 n GLU 43 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2nn5 s LEU 44 N -3.92 4.29 0.05 -4.62 1.43 -0.45 -0.73 118.68 114.72 2nn5 s LEU 44 Ca 0.12 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2nn5 s LEU 44 Cb 0.15 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2nn5 s LEU 44 CO 0.57 0.08 -0.00 -1.83 0.23 0.00 0.00 176.35 175.39 2nn5 s GLU 45 N -2.28 0.61 0.15 1.70 -1.05 -0.36 -4.44 118.70 113.02 2nn5 s GLU 45 Ca 0.39 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 2nn5 s GLU 45 Cb -0.13 0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.70 2nn5 s GLU 45 CO 0.20 -0.12 1.20 0.42 0.95 0.00 0.00 175.26 177.91 2nn5 s ILE 46 N -3.68 3.70 0.00 1.83 -1.09 -1.26 -0.76 121.20 119.93 2nn5 s ILE 46 Ca 0.05 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 2nn5 s ILE 46 Cb 0.06 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2nn5 s ILE 46 CO -0.09 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 2nn5 n GLY 47 N 2.51 0.35 3.21 6.18 0.00 0.32 -4.78 105.19 112.98 2nn5 n GLY 47 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2nn5 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nn5 s GLU 48 N -0.46 0.82 0.60 1.61 2.02 -1.01 -4.93 118.70 117.35 2nn5 s GLU 48 Ca 0.00 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.23 2nn5 s GLU 48 Cb 0.00 0.34 0.09 0.00 0.10 0.00 0.00 34.13 34.66 2nn5 s GLU 48 CO 0.00 -0.26 0.83 -0.51 0.02 0.00 0.00 175.26 175.34 2nn5 s LEU 49 N -2.62 3.11 0.00 1.80 1.43 -1.26 -0.66 118.68 120.48 2nn5 s LEU 49 Ca 0.02 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2nn5 s LEU 49 Cb 0.03 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2nn5 s LEU 49 CO -0.09 -1.43 0.00 0.61 0.23 0.00 0.00 176.35 175.67 2nn5 n GLY 50 N -2.36 -3.31 0.26 -3.19 0.00 -1.26 -3.76 105.19 91.57 2nn5 n GLY 50 Ca 0.15 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.36 2nn5 n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2nn5 h VAL 51 N 0.00 0.00 -0.30 1.61 3.04 -1.97 0.01 116.25 118.64 2nn5 h VAL 51 Ca 0.00 -0.31 -0.10 0.00 -1.01 0.00 0.00 66.70 65.28 2nn5 h VAL 51 Cb 0.00 1.23 -0.06 0.00 -2.01 0.00 0.00 31.29 30.45 2nn5 h VAL 51 CO 0.00 0.00 -0.03 0.59 -1.01 0.00 0.00 177.57 177.12 2nn5 n ASN 52 N -2.89 3.09 -3.36 3.17 3.02 -1.26 -4.89 115.26 112.14 2nn5 n ASN 52 Ca -0.00 -3.41 -0.21 0.00 -0.03 0.00 0.00 54.58 50.93 2nn5 n ASN 52 Cb 0.22 -0.59 0.15 0.00 -0.61 0.00 0.00 39.78 38.95 2nn5 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nn5 n GLY 53 N -0.88 -1.52 3.56 7.41 0.00 -0.01 -4.86 105.19 108.88 2nn5 n GLY 53 Ca 0.28 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 2nn5 n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nn5 s PHE 54 N -3.03 -0.35 0.36 1.61 -0.12 0.16 -0.76 117.98 115.85 2nn5 s PHE 54 Ca 0.54 0.48 0.05 0.00 -0.05 0.00 0.00 56.93 57.95 2nn5 s PHE 54 Cb -0.02 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 2nn5 s PHE 54 CO 0.38 -0.40 0.52 -1.58 -0.05 0.00 0.00 175.22 174.09 2nn5 s TRP 55 N -1.79 3.16 0.05 3.49 0.51 -1.26 -0.52 118.94 122.57 2nn5 s TRP 55 Ca 0.01 -0.09 0.08 0.00 -2.12 0.00 0.00 56.10 53.98 2nn5 s TRP 55 Cb -0.01 -2.06 -0.03 0.00 -0.81 0.00 0.00 33.47 30.57 2nn5 s TRP 55 CO -0.02 -0.08 -0.23 1.03 -0.51 0.00 0.00 176.95 177.14 2nn5 s ARG 56 N -4.27 1.52 -0.20 4.98 0.52 0.06 -4.52 118.95 117.04 2nn5 s ARG 56 Ca 0.45 -1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 54.61 2nn5 s ARG 56 Cb -0.10 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 2nn5 s ARG 56 CO 0.33 0.43 -0.02 0.12 0.02 0.00 0.00 175.30 176.17 2nn5 s PHE 57 N -0.82 3.00 -0.08 -0.53 5.36 0.39 -1.23 117.98 124.07 2nn5 s PHE 57 Ca 0.09 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.49 2nn5 s PHE 57 Cb -0.09 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.54 2nn5 s PHE 57 CO 0.02 -0.30 -0.13 0.42 -1.46 0.00 0.00 175.22 173.76 2nn5 s ILE 58 N 1.03 1.27 0.27 3.12 -1.09 0.09 -1.06 121.20 124.84 2nn5 s ILE 58 Ca 0.01 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 2nn5 s ILE 58 Cb -0.14 -1.16 -0.06 0.00 -1.58 0.00 0.00 42.46 39.52 2nn5 s ILE 58 CO 0.01 0.39 0.06 -0.76 -1.23 0.00 0.00 174.94 173.41 2nn5 s LEU 59 N 0.80 1.94 0.36 2.97 1.43 0.15 -4.66 118.68 121.66 2nn5 s LEU 59 Ca -0.11 -1.34 0.03 0.00 -1.03 0.00 0.00 54.13 51.67 2nn5 s LEU 59 Cb -0.15 -0.17 0.67 0.00 0.03 0.00 0.00 46.19 46.56 2nn5 s LEU 59 CO 0.02 -0.64 2.00 -0.65 0.23 0.00 0.00 176.35 177.31 2nn5 h PRO 60 N 2.32 0.80 -0.44 1.29 0.11 -2.02 -3.07 132.00 130.99 2nn5 h PRO 60 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2nn5 h PRO 60 Cb 1.24 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2nn5 h PRO 60 CO 0.65 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.56 2nn5 n ASP 61 N -4.45 3.84 -3.64 -2.05 5.68 -1.26 -4.95 116.55 109.72 2nn5 n ASP 61 Ca 0.07 -2.43 -0.04 0.00 -0.50 0.00 0.00 54.79 51.90 2nn5 n ASP 61 Cb 0.09 -0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 39.56 2nn5 n ASP 61 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2nn5 s PHE 62 N -1.79 -0.70 0.00 2.11 5.36 -1.16 -5.16 117.98 116.65 2nn5 s PHE 62 Ca 0.39 1.40 0.03 0.00 -0.96 0.00 0.00 56.93 57.79 2nn5 s PHE 62 Cb 0.26 0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 43.34 2nn5 s PHE 62 CO 0.17 -0.35 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.28 2nn5 s GLU 63 N 1.42 0.73 -0.03 10.12 2.02 -1.26 0.30 118.70 132.00 2nn5 s GLU 63 Ca -0.09 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 2nn5 s GLU 63 Cb -0.04 -0.70 0.02 0.00 0.10 0.00 0.00 34.13 33.51 2nn5 s GLU 63 CO -0.16 0.18 0.23 -2.00 0.02 0.00 0.00 175.26 173.53 2nn5 s GLU 64 N -0.47 0.48 0.00 1.61 2.12 -0.22 -4.98 118.70 117.24 2nn5 s GLU 64 Ca 0.02 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2nn5 s GLU 64 Cb -0.05 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2nn5 s GLU 64 CO -0.00 -0.11 0.00 2.41 -0.54 0.00 0.00 175.26 177.02 2nn5 n THR 65 N 1.86 0.00 -3.85 -1.70 -1.04 -1.26 -0.46 114.28 107.82 2nn5 n THR 65 Ca -0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.70 2nn5 n THR 65 Cb 0.57 -1.66 -0.12 0.00 -1.82 0.00 0.00 70.33 67.29 2nn5 n THR 65 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2nn5 s PRO 67 N 0.55 0.19 0.23 -2.82 0.02 -1.26 -4.94 135.00 126.97 2nn5 s PRO 67 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 61.00 60.73 2nn5 s PRO 67 Cb 0.00 0.08 -0.09 0.00 0.02 0.00 0.00 34.50 34.51 2nn5 s PRO 67 CO 0.00 -0.03 1.31 -0.06 -0.33 0.00 0.00 177.00 177.89 2nn5 s PHE 68 N -0.28 3.21 -0.58 6.54 0.08 0.06 -1.20 117.98 125.81 2nn5 s PHE 68 Ca -0.03 1.25 0.19 0.00 0.12 0.00 0.00 56.93 58.46 2nn5 s PHE 68 Cb -0.03 -3.62 -0.24 0.00 -0.57 0.00 0.00 43.02 38.57 2nn5 s PHE 68 CO 0.00 -1.89 0.66 0.25 -0.10 0.00 0.00 175.22 174.14 2nn5 n THR 69 N 2.23 0.00 -3.52 0.64 -2.24 0.98 -4.78 114.28 107.60 2nn5 n THR 69 Ca 0.05 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 2nn5 n THR 69 Cb 0.42 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 2nn5 n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nn5 s ASP 70 N -3.27 -0.65 -0.26 3.42 -1.08 -1.15 -4.91 116.67 108.78 2nn5 s ASP 70 Ca 0.02 0.69 -0.06 0.00 -0.52 0.00 0.00 52.55 52.67 2nn5 s ASP 70 Cb 0.13 0.54 0.13 0.00 -1.46 0.00 0.00 42.92 42.26 2nn5 s ASP 70 CO 0.78 -0.62 0.52 -0.47 0.52 0.00 0.00 175.17 175.89 2nn5 s TYR 71 N -1.30 -1.12 -0.15 -5.34 5.04 -1.26 -0.91 117.35 112.31 2nn5 s TYR 71 Ca -0.10 1.72 -0.03 0.00 -2.44 0.00 0.00 57.07 56.21 2nn5 s TYR 71 Cb -0.00 0.47 0.05 0.00 0.35 0.00 0.00 41.96 42.83 2nn5 s TYR 71 CO 0.09 -0.65 0.04 0.00 -1.34 0.00 0.00 175.55 173.70 2nn5 s ALA 72 N 2.74 0.74 -0.25 3.97 0.00 -0.19 -4.85 121.76 123.92 2nn5 s ALA 72 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 51.96 51.15 2nn5 s ALA 72 Cb -0.13 -1.02 -0.18 0.00 0.00 0.00 0.00 23.12 21.79 2nn5 s ALA 72 CO -0.17 -0.99 1.51 -1.91 0.00 0.00 0.00 175.76 174.21 2nn5 n GLU 73 N 5.15 0.56 -1.41 0.00 2.13 -1.26 -1.04 120.64 124.77 2nn5 n GLU 73 Ca -0.08 0.21 -0.14 0.00 0.66 0.00 0.00 57.16 57.81 2nn5 n GLU 73 Cb 0.48 -1.79 -0.06 0.00 0.27 0.00 0.00 31.44 30.34 2nn5 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2nn5 n GLU 74 N 3.78 -1.19 0.06 5.31 1.02 -1.26 -4.76 120.64 123.60 2nn5 n GLU 74 Ca 0.26 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.38 2nn5 n GLU 74 Cb 0.07 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 2nn5 n GLU 74 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nn5 n LYS 75 N -2.18 0.00 -3.58 3.49 4.76 -0.20 -4.76 118.16 115.69 2nn5 n LYS 75 Ca -0.14 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 2nn5 n LYS 75 Cb 0.51 -0.18 -0.04 0.00 -1.84 0.00 0.00 35.03 33.48 2nn5 n LYS 75 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2nn5 s TYR 76 N -2.00 -0.32 -0.17 2.13 1.13 -0.71 -0.87 117.35 116.54 2nn5 s TYR 76 Ca 0.00 0.10 -0.07 0.00 -1.41 0.00 0.00 57.07 55.69 2nn5 s TYR 76 Cb 0.00 0.34 0.07 0.00 -1.10 0.00 0.00 41.96 41.27 2nn5 s TYR 76 CO 0.00 -0.72 0.36 -1.17 -2.51 0.00 0.00 175.55 171.51 2nn5 s LEU 77 N -2.62 -0.35 -0.06 -3.49 2.96 -0.49 -1.02 118.68 113.60 2nn5 s LEU 77 Ca 0.01 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 2nn5 s LEU 77 Cb 0.01 1.13 -0.02 0.00 0.50 0.00 0.00 46.19 47.81 2nn5 s LEU 77 CO -0.10 -0.22 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.74 2nn5 s GLY 78 N 2.19 1.53 -0.01 7.98 0.00 -0.09 -0.51 107.32 118.41 2nn5 s GLY 78 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.74 2nn5 s GLY 78 CO -0.11 -0.66 -0.03 0.14 0.00 0.00 0.00 173.10 172.44 2nn5 s VAL 79 N -0.52 0.29 0.19 1.40 1.01 0.17 -0.01 120.40 122.92 2nn5 s VAL 79 Ca 0.07 -0.13 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 2nn5 s VAL 79 Cb -0.12 -0.27 -0.14 0.00 0.00 0.00 0.00 36.38 35.86 2nn5 s VAL 79 CO 0.02 0.10 1.49 0.41 0.00 0.00 0.00 175.10 177.11 2nn5 n THR 80 N 3.17 0.43 -3.51 3.92 -1.04 -0.34 -1.01 114.28 115.90 2nn5 n THR 80 Ca -0.15 -0.11 -0.18 0.00 -2.04 0.00 0.00 64.05 61.57 2nn5 n THR 80 Cb 0.57 -1.48 -0.13 0.00 -1.82 0.00 0.00 70.33 67.48 2nn5 n THR 80 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 2nn5 s TRP 81 N 0.45 -0.26 0.00 -1.42 -0.11 -0.25 -4.73 118.94 112.62 2nn5 s TRP 81 Ca 0.74 0.25 0.00 0.00 1.22 0.00 0.00 56.10 58.31 2nn5 s TRP 81 Cb -0.68 -0.36 0.00 0.00 -1.50 0.00 0.00 33.47 30.94 2nn5 s TRP 81 CO 0.44 -0.57 0.00 -3.47 -4.62 0.00 0.00 176.95 168.72 2nn5 n ASP 82 N 5.32 0.00 -0.87 5.86 -0.08 -1.26 -0.44 116.55 125.08 2nn5 n ASP 82 Ca -0.05 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.33 2nn5 n ASP 82 Cb 0.50 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.23 2nn5 n ASP 82 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2nn5 n THR 83 N 0.00 0.47 -1.39 5.18 -2.24 -1.26 -4.92 114.28 110.12 2nn5 n THR 83 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2nn5 n THR 83 Cb 0.00 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2nn5 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nn5 n GLY 84 N 1.31 5.13 2.98 3.38 0.00 0.42 -4.75 105.19 113.66 2nn5 n GLY 84 Ca 0.17 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 2nn5 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nn5 s ILE 85 N 2.48 0.01 0.12 -0.61 -1.09 -1.05 -1.09 121.20 119.97 2nn5 s ILE 85 Ca 0.00 -0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.44 2nn5 s ILE 85 Cb 0.00 -0.16 -0.04 0.00 -1.58 0.00 0.00 42.46 40.68 2nn5 s ILE 85 CO 0.00 -0.03 -0.11 0.27 -1.23 0.00 0.00 174.94 173.84 2nn5 s ILE 86 N -0.05 3.30 -0.07 2.92 -4.36 -0.18 -1.09 121.20 121.66 2nn5 s ILE 86 Ca -0.01 -1.36 -0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2nn5 s ILE 86 Cb -0.01 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.18 2nn5 s ILE 86 CO 0.00 0.07 0.14 -0.47 0.24 0.00 0.00 174.94 174.92 2nn5 s TYR 87 N -1.29 -0.15 -0.17 1.37 5.04 0.56 -0.66 117.35 122.04 2nn5 s TYR 87 Ca 0.22 0.49 -0.03 0.00 -2.44 0.00 0.00 57.07 55.31 2nn5 s TYR 87 Cb -0.11 -0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.05 2nn5 s TYR 87 CO 0.14 -0.19 -0.06 -0.06 -1.34 0.00 0.00 175.55 174.04 2nn5 s PHE 88 N 1.44 2.94 -0.20 4.97 0.08 0.33 -0.82 117.98 126.72 2nn5 s PHE 88 Ca -0.06 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.36 2nn5 s PHE 88 Cb -0.12 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2nn5 s PHE 88 CO -0.06 -0.28 -0.11 0.34 -0.10 0.00 0.00 175.22 175.01 2nn5 s ASP 89 N 0.80 3.37 -0.49 1.36 -1.08 -0.08 -1.40 116.67 119.16 2nn5 s ASP 89 Ca -0.02 -0.87 -0.19 0.00 -0.52 0.00 0.00 52.55 50.95 2nn5 s ASP 89 Cb -0.15 -1.25 0.05 0.00 -1.46 0.00 0.00 42.92 40.11 2nn5 s ASP 89 CO 0.02 -0.13 0.58 -0.76 0.52 0.00 0.00 175.17 175.40 2nn5 s LEU 90 N 1.38 4.97 -0.31 -1.34 1.43 -0.05 -0.71 118.68 124.04 2nn5 s LEU 90 Ca -0.01 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 2nn5 s LEU 90 Cb -0.16 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 2nn5 s LEU 90 CO -0.08 -0.82 0.20 -0.54 0.23 0.00 0.00 176.35 175.33 2nn5 s LYS 91 N 2.50 3.56 0.12 1.70 -0.14 -0.22 -4.81 119.74 122.45 2nn5 s LYS 91 Ca 0.14 -0.59 -0.31 0.00 -1.36 0.00 0.00 55.97 53.86 2nn5 s LYS 91 Cb -0.19 -3.68 -0.08 0.00 -1.68 0.00 0.00 37.83 32.20 2nn5 s LYS 91 CO 0.12 -0.37 1.38 -2.00 -0.76 0.00 0.00 175.35 173.72 2nn5 s GLU 92 N 1.69 4.33 -0.20 1.68 2.12 -1.26 -0.29 118.70 126.76 2nn5 s GLU 92 Ca 0.06 2.06 0.07 0.00 0.36 0.00 0.00 54.97 57.52 2nn5 s GLU 92 Cb -0.17 -3.25 -0.18 0.00 0.26 0.00 0.00 34.13 30.80 2nn5 s GLU 92 CO 0.09 -0.42 -0.10 1.04 -0.54 0.00 0.00 175.26 175.34 2nn5 n GLN 93 N 3.87 0.79 -3.86 4.30 1.13 0.39 -4.87 117.38 119.13 2nn5 n GLN 93 Ca 0.11 0.07 -0.07 0.00 -1.94 0.00 0.00 57.00 55.17 2nn5 n GLN 93 Cb 0.42 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 2nn5 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2nn5 s ALA 94 N -2.44 -1.14 0.54 -1.58 0.00 -0.86 -4.96 121.76 111.32 2nn5 s ALA 94 Ca -0.22 -0.37 0.24 0.00 0.00 0.00 0.00 51.96 51.61 2nn5 s ALA 94 Cb 0.07 0.85 1.41 0.00 0.00 0.00 0.00 23.12 25.45 2nn5 s ALA 94 CO 0.60 -1.03 2.04 -1.35 0.00 0.00 0.00 175.76 176.03 2nn5 h PRO 95 N 2.01 0.00 0.00 0.00 0.11 -1.97 -1.80 132.00 130.36 2nn5 h PRO 95 Ca -0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 2nn5 h PRO 95 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 2nn5 h PRO 95 CO 0.25 0.00 -0.52 0.72 -0.21 0.00 0.00 178.00 178.24 2nn5 n HIS 96 N -4.31 0.00 -3.80 0.65 8.25 -1.26 -4.15 115.22 110.60 2nn5 n HIS 96 Ca 0.06 -1.24 -0.16 0.00 -0.26 0.00 0.00 57.72 56.12 2nn5 n HIS 96 Cb 0.45 -0.22 -0.16 0.00 1.12 0.00 0.00 29.99 31.18 2nn5 n HIS 96 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2nn5 s GLN 97 N -2.60 0.05 0.04 -0.41 -0.21 -0.68 -1.57 119.66 114.28 2nn5 s GLN 97 Ca 0.36 0.18 0.06 0.00 0.02 0.00 0.00 55.36 55.98 2nn5 s GLN 97 Cb 0.35 -0.33 -0.02 0.00 1.00 0.00 0.00 33.01 34.00 2nn5 s GLN 97 CO -0.07 -0.17 -0.18 0.99 -2.12 0.00 0.00 175.29 173.73 2nn5 s THR 98 N 1.15 1.48 -0.36 -0.19 2.01 -0.20 -0.46 115.64 119.08 2nn5 s THR 98 Ca -0.08 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.67 2nn5 s THR 98 Cb -0.13 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.10 2nn5 s THR 98 CO -0.03 0.13 0.19 -0.76 -0.69 0.00 0.00 174.62 173.46 2nn5 s LEU 99 N -1.18 4.60 -0.33 4.42 1.43 0.60 -1.00 118.68 127.21 2nn5 s LEU 99 Ca 0.05 -0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 51.98 2nn5 s LEU 99 Cb -0.08 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2nn5 s LEU 99 CO 0.02 -0.36 0.75 -0.22 0.23 0.00 0.00 176.35 176.77 2nn5 s LEU 100 N 1.55 4.12 -0.30 1.79 2.96 0.11 -1.05 118.68 127.85 2nn5 s LEU 100 Ca 0.02 0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 2nn5 s LEU 100 Cb -0.19 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2nn5 s LEU 100 CO 0.06 -0.62 0.17 -0.69 -1.32 0.00 0.00 176.35 173.95 2nn5 s VAL 101 N 2.92 4.94 -0.15 1.68 1.01 0.11 -0.41 120.40 130.49 2nn5 s VAL 101 Ca 0.30 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2nn5 s VAL 101 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2nn5 s VAL 101 CO 0.14 0.14 0.04 0.12 0.00 0.00 0.00 175.10 175.54 2nn5 s PHE 102 N 1.68 3.24 0.04 5.22 5.36 -0.15 -0.90 117.98 132.47 2nn5 s PHE 102 Ca 0.06 0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 2nn5 s PHE 102 Cb -0.17 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 2nn5 s PHE 102 CO 0.08 0.26 -0.03 -1.54 -1.46 0.00 0.00 175.22 172.53 2nn5 s SER 103 N -0.05 0.39 -0.07 6.13 1.04 0.00 -0.69 113.70 120.46 2nn5 s SER 103 Ca 0.05 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 2nn5 s SER 103 Cb -0.12 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.16 2nn5 s SER 103 CO 0.01 -0.43 0.28 -0.70 0.98 0.00 0.00 173.24 173.38 2nn5 s GLU 104 N -2.59 0.44 -0.14 4.02 2.12 0.82 -0.32 118.70 123.04 2nn5 s GLU 104 Ca -0.05 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.44 2nn5 s GLU 104 Cb -0.02 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2nn5 s GLU 104 CO -0.05 -0.08 -0.09 -1.54 -0.54 0.00 0.00 175.26 172.95 2nn5 s SER 105 N -0.37 4.29 -0.45 -1.70 1.04 -0.25 -1.17 113.70 115.09 2nn5 s SER 105 Ca -0.05 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.14 2nn5 s SER 105 Cb -0.03 -1.68 0.13 0.00 0.10 0.00 0.00 66.02 64.54 2nn5 s SER 105 CO 0.01 0.15 0.23 -0.76 0.98 0.00 0.00 173.24 173.85 2nn5 s LEU 106 N 0.43 3.33 0.97 2.42 1.02 0.68 -2.52 118.68 125.01 2nn5 s LEU 106 Ca -0.08 -2.67 -0.12 0.00 0.02 0.00 0.00 54.13 51.29 2nn5 s LEU 106 Cb -0.15 -1.26 0.17 0.00 0.02 0.00 0.00 46.19 44.97 2nn5 s LEU 106 CO 0.04 -0.27 1.09 -2.84 0.02 0.00 0.00 176.35 174.39 2nn5 s PRO 107 N 0.25 0.62 0.55 1.29 0.02 -1.26 -1.37 135.00 135.09 2nn5 s PRO 107 Ca 0.17 0.98 0.22 0.00 0.02 0.00 0.00 61.00 62.38 2nn5 s PRO 107 Cb -0.24 -1.72 1.50 0.00 0.02 0.00 0.00 34.50 34.05 2nn5 s PRO 107 CO -0.02 -2.73 2.19 1.05 -0.33 0.00 0.00 177.00 177.16 2nn5 h GLU 108 N -1.91 0.00 -0.17 5.54 4.11 -1.92 -1.84 114.58 118.40 2nn5 h GLU 108 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2nn5 h GLU 108 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2nn5 h GLU 108 CO 0.51 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.86 2nn5 n ASN 109 N -4.25 0.96 -4.57 3.06 2.04 -1.26 -4.92 115.26 106.32 2nn5 n ASN 109 Ca -0.03 -1.94 -0.49 0.00 -0.44 0.00 0.00 54.58 51.69 2nn5 n ASN 109 Cb 0.11 -0.11 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 2nn5 n ASN 109 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2nn5 n PHE 110 N -0.00 1.17 0.06 -2.53 7.35 -0.69 -4.88 117.46 117.94 2nn5 n PHE 110 Ca 0.07 0.71 -0.11 0.00 -0.76 0.00 0.00 57.45 57.37 2nn5 n PHE 110 Cb 0.16 -2.25 -0.01 0.00 0.35 0.00 0.00 39.48 37.73 2nn5 n PHE 110 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2nn5 h THR 111 N 2.49 1.41 -3.26 -2.13 1.35 -1.91 -3.44 112.91 107.42 2nn5 h THR 111 Ca -0.42 -2.34 -0.57 0.00 -0.55 0.00 0.00 66.41 62.53 2nn5 h THR 111 Cb 1.35 2.29 -0.04 0.00 -1.73 0.00 0.00 68.15 70.02 2nn5 h THR 111 CO 0.68 0.70 -0.06 -0.89 -0.25 0.00 0.00 175.52 175.70 2nn5 s THR 112 N -3.41 4.80 0.20 6.82 2.01 -1.26 -5.02 115.64 119.78 2nn5 s THR 112 Ca -0.05 1.05 -0.33 0.00 0.31 0.00 0.00 61.69 62.67 2nn5 s THR 112 Cb 0.10 -3.82 -0.14 0.00 0.01 0.00 0.00 72.50 68.65 2nn5 s THR 112 CO 0.85 0.43 1.49 -2.65 -0.69 0.00 0.00 174.62 174.05 2nn5 n PRO 113 N 1.35 2.08 -0.10 4.92 -0.02 -1.26 -4.80 135.00 137.16 2nn5 n PRO 113 Ca -0.08 0.74 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 2nn5 n PRO 113 Cb 0.51 -2.46 0.30 0.00 -0.02 0.00 0.00 33.50 31.83 2nn5 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nn5 h ARG 114 N 5.07 0.76 0.00 -0.52 3.08 -1.95 -1.13 114.38 119.68 2nn5 h ARG 114 Ca -0.45 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.45 2nn5 h ARG 114 Cb 1.27 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2nn5 h ARG 114 CO 0.82 0.56 -0.36 1.12 -1.07 0.00 0.00 179.97 181.05 2nn5 h HIS 115 N 0.77 0.00 -0.18 3.04 2.07 -1.88 -1.37 115.15 117.60 2nn5 h HIS 115 Ca 0.20 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.54 2nn5 h HIS 115 Cb 0.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.01 2nn5 h HIS 115 CO 0.00 0.36 -0.62 -0.22 -3.07 0.00 0.00 177.93 174.38 2nn5 h LYS 116 N 0.00 0.63 -0.25 5.12 3.64 -1.54 -1.41 116.57 122.76 2nn5 h LYS 116 Ca -0.00 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 2nn5 h LYS 116 Cb 0.68 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2nn5 h LYS 116 CO 0.05 1.05 -0.13 0.22 -2.27 0.00 0.00 179.45 178.37 2nn5 h ASP 117 N 0.46 0.55 -0.71 4.20 3.58 -1.00 -0.99 116.42 122.51 2nn5 h ASP 117 Ca -0.01 -0.41 0.03 0.00 0.42 0.00 0.00 57.03 57.06 2nn5 h ASP 117 Cb 1.20 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 2nn5 h ASP 117 CO 0.12 0.84 0.45 0.40 -2.88 0.00 0.00 179.24 178.17 2nn5 h ILE 118 N 0.26 1.11 -0.57 2.25 2.04 -1.28 -0.99 117.51 120.33 2nn5 h ILE 118 Ca 0.06 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2nn5 h ILE 118 Cb 0.63 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2nn5 h ILE 118 CO 0.04 0.16 0.34 0.00 0.00 0.00 0.00 178.15 178.69 2nn5 h ALA 119 N 1.29 0.74 -0.57 1.87 0.00 -1.13 -0.10 119.26 121.36 2nn5 h ALA 119 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2nn5 h ALA 119 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2nn5 h ALA 119 CO -0.10 0.06 0.37 0.78 0.00 0.00 0.00 179.25 180.36 2nn5 h GLY 120 N 0.68 0.82 1.04 0.00 0.00 -0.52 -1.82 103.07 103.26 2nn5 h GLY 120 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2nn5 h GLY 120 CO -0.11 0.31 0.27 1.49 0.00 0.00 0.00 176.54 178.50 2nn5 h TRP 121 N 0.78 1.15 -0.73 5.60 4.06 -0.74 -0.94 115.95 125.13 2nn5 h TRP 121 Ca 0.21 -0.10 0.07 0.00 2.06 0.00 0.00 58.89 61.13 2nn5 h TRP 121 Cb -0.07 -0.34 -0.06 0.00 -1.00 0.00 0.00 29.16 27.69 2nn5 h TRP 121 CO -0.03 0.89 0.42 0.66 -3.56 0.00 0.00 178.44 176.81 2nn5 h SER 122 N 1.07 0.61 -0.04 -3.49 4.64 -0.59 0.43 113.55 116.18 2nn5 h SER 122 Ca 0.24 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2nn5 h SER 122 Cb 0.25 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2nn5 h SER 122 CO -0.02 0.38 -0.03 0.40 -0.87 0.00 0.00 176.83 176.70 2nn5 h ILE 123 N 0.74 1.35 0.00 0.95 2.04 -1.03 -1.79 117.51 119.78 2nn5 h ILE 123 Ca 0.34 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.97 2nn5 h ILE 123 Cb 0.24 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2nn5 h ILE 123 CO -0.20 0.30 -0.57 -0.37 0.00 0.00 0.00 178.15 177.30 2nn5 h VAL 124 N -0.34 1.39 -0.41 1.67 -1.51 -0.96 -1.19 116.25 114.90 2nn5 h VAL 124 Ca 0.01 -1.97 -0.07 0.00 -1.23 0.00 0.00 66.70 63.43 2nn5 h VAL 124 Cb 0.50 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 2nn5 h VAL 124 CO 0.01 0.56 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.79 2nn5 h LEU 125 N 0.00 0.67 -0.67 4.19 3.38 -0.90 0.15 115.31 122.13 2nn5 h LEU 125 Ca -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2nn5 h LEU 125 Cb 1.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2nn5 h LEU 125 CO 0.07 0.77 0.37 0.78 0.09 0.00 0.00 178.44 180.53 2nn5 h ASN 126 N 0.65 0.83 -0.74 -0.43 2.35 -0.95 -2.10 115.58 115.18 2nn5 h ASN 126 Ca 0.12 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2nn5 h ASN 126 Cb 0.47 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2nn5 h ASN 126 CO 0.02 0.67 0.30 -0.09 -1.65 0.00 0.00 177.43 176.69 2nn5 h ARG 127 N 0.91 1.12 -0.35 0.81 9.65 -0.59 -1.78 114.38 124.16 2nn5 h ARG 127 Ca 0.24 -0.20 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2nn5 h ARG 127 Cb 0.02 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 2nn5 h ARG 127 CO -0.04 0.91 0.13 1.25 2.80 0.00 0.00 179.97 185.02 2nn5 h LEU 128 N 1.10 0.14 -0.64 3.80 5.85 -0.43 0.82 115.31 125.96 2nn5 h LEU 128 Ca 0.25 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2nn5 h LEU 128 Cb 0.21 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2nn5 h LEU 128 CO -0.02 0.12 0.40 0.50 -0.34 0.00 0.00 178.44 179.10 2nn5 h LYS 129 N 0.28 0.78 -0.36 1.25 3.64 -1.26 -1.72 116.57 119.17 2nn5 h LYS 129 Ca 0.16 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2nn5 h LYS 129 Cb 0.12 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2nn5 h LYS 129 CO -0.15 0.52 0.16 0.37 -2.27 0.00 0.00 179.45 178.08 2nn5 h GLN 130 N 0.81 0.53 -0.02 1.90 4.15 -0.80 -1.36 115.11 120.31 2nn5 h GLN 130 Ca 0.25 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.47 2nn5 h GLN 130 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2nn5 h GLN 130 CO -0.09 0.50 -0.50 -0.39 -1.93 0.00 0.00 178.83 176.42 2nn5 h VAL 131 N 0.44 1.36 -0.19 2.39 -1.51 -0.63 0.28 116.25 118.40 2nn5 h VAL 131 Ca 0.12 -1.73 -0.11 0.00 -1.23 0.00 0.00 66.70 63.75 2nn5 h VAL 131 Cb 0.15 1.91 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2nn5 h VAL 131 CO -0.01 0.50 -0.32 0.58 -1.23 0.00 0.00 177.57 177.09 2nn5 h VAL 132 N 0.05 1.34 0.19 7.19 2.07 -1.15 -3.10 116.25 122.83 2nn5 h VAL 132 Ca -0.00 -1.54 -0.32 0.00 0.82 0.00 0.00 66.70 65.65 2nn5 h VAL 132 Cb 0.90 1.87 0.02 0.00 -1.52 0.00 0.00 31.29 32.56 2nn5 h VAL 132 CO 0.07 0.47 -1.50 -0.33 0.02 0.00 0.00 177.57 176.30 2nn5 h GLU 133 N 0.21 0.40 -2.21 1.57 5.08 -1.16 -3.41 114.58 115.06 2nn5 h GLU 133 Ca 0.01 -0.68 -0.58 0.00 -1.00 0.00 0.00 59.36 57.12 2nn5 h GLU 133 Cb 0.90 0.25 -0.39 0.00 0.50 0.00 0.00 28.75 30.02 2nn5 h GLU 133 CO 0.07 1.30 -1.02 0.25 -1.00 0.00 0.00 179.01 178.62 2nn5 n THR 134 N -3.60 -0.80 -0.29 1.13 -2.24 0.98 -5.02 114.28 104.45 2nn5 n THR 134 Ca -0.17 -3.79 0.34 0.00 -2.27 0.00 0.00 64.05 58.17 2nn5 n THR 134 Cb 1.07 -1.82 0.73 0.00 -2.10 0.00 0.00 70.33 68.21 2nn5 n THR 134 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2nn5 h PRO 135 N 4.82 0.00 -0.20 -0.78 0.11 -1.65 -0.07 132.00 134.23 2nn5 h PRO 135 Ca 0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 2nn5 h PRO 135 Cb 0.88 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 2nn5 h PRO 135 CO 0.43 0.00 -0.14 -0.40 -0.21 0.00 0.00 178.00 177.68 2nn5 n ASP 136 N -4.00 2.56 -4.76 -2.05 5.68 -1.26 -4.90 116.55 107.81 2nn5 n ASP 136 Ca 0.24 -3.55 -0.38 0.00 -0.50 0.00 0.00 54.79 50.61 2nn5 n ASP 136 Cb 1.25 -0.56 0.01 0.00 -1.14 0.00 0.00 41.12 40.68 2nn5 n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nn5 s ALA 137 N -3.11 2.92 0.32 2.12 0.00 -0.04 -4.96 121.76 119.02 2nn5 s ALA 137 Ca 0.41 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.20 2nn5 s ALA 137 Cb 0.36 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 2nn5 s ALA 137 CO 0.01 -0.98 1.40 0.00 0.00 0.00 0.00 175.76 176.18 2nn5 s ALA 138 N -1.42 3.56 0.73 0.00 0.00 -1.26 -4.98 121.76 118.39 2nn5 s ALA 138 Ca 0.67 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.83 2nn5 s ALA 138 Cb -0.34 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2nn5 s ALA 138 CO 0.41 -0.78 0.88 -0.35 0.00 0.00 0.00 175.76 175.93 2nn5 n PRO 139 N 1.17 0.45 -2.18 0.00 -0.04 -1.26 -4.92 135.00 128.22 2nn5 n PRO 139 Ca 0.02 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 2nn5 n PRO 139 Cb 0.41 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 2nn5 n PRO 139 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nn5 s GLU 140 N -3.25 4.39 -1.03 0.54 0.41 -1.26 -4.94 118.70 113.56 2nn5 s GLU 140 Ca 0.72 2.12 -0.16 0.00 -0.41 0.00 0.00 54.97 57.23 2nn5 s GLU 140 Cb -0.34 -3.14 0.16 0.00 -1.78 0.00 0.00 34.13 29.03 2nn5 s GLU 140 CO 0.52 -0.20 1.21 0.21 -0.49 0.00 0.00 175.26 176.51 2nn5 s LYS 141 N -0.91 3.80 0.30 1.61 2.20 -1.26 -5.03 119.74 120.45 2nn5 s LYS 141 Ca 0.53 -2.16 0.03 0.00 -0.36 0.00 0.00 55.97 54.01 2nn5 s LYS 141 Cb -0.38 -4.93 -0.03 0.00 -1.51 0.00 0.00 37.83 30.99 2nn5 s LYS 141 CO 0.45 -1.72 0.47 0.96 -0.36 0.00 0.00 175.35 175.14 2nn5 s ILE 142 N 1.98 5.10 -0.89 5.43 -5.25 -1.26 -4.94 121.20 121.36 2nn5 s ILE 142 Ca 0.35 -0.71 -0.14 0.00 -0.99 0.00 0.00 60.65 59.15 2nn5 s ILE 142 Cb -0.05 -3.83 0.21 0.00 2.95 0.00 0.00 42.46 41.74 2nn5 s ILE 142 CO -0.06 -0.44 0.90 -0.62 -1.79 0.00 0.00 174.94 172.93 2nn5 s ASP 143 N -4.02 6.81 0.15 4.36 -1.08 -1.26 -4.94 116.67 116.68 2nn5 s ASP 143 Ca 0.38 -2.67 -0.17 0.00 -0.52 0.00 0.00 52.55 49.57 2nn5 s ASP 143 Cb -0.09 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 2nn5 s ASP 143 CO 0.33 -0.64 1.80 0.15 0.52 0.00 0.00 175.17 177.33 2nn5 h PHE 144 N 7.85 0.42 -0.81 -5.34 3.57 -1.99 -2.04 116.94 118.60 2nn5 h PHE 144 Ca 0.13 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.78 2nn5 h PHE 144 Cb 1.01 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 2nn5 h PHE 144 CO 1.04 0.26 0.53 -1.35 -2.23 0.00 0.00 178.31 176.55 2nn5 h PRO 145 N 0.45 0.57 -0.22 6.41 0.11 -1.99 0.20 132.00 137.54 2nn5 h PRO 145 Ca 0.13 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 2nn5 h PRO 145 Cb -0.03 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2nn5 h PRO 145 CO -0.04 0.38 -0.06 0.37 -0.21 0.00 0.00 178.00 178.43 2nn5 h GLN 146 N 0.59 0.42 -0.52 1.05 5.75 -1.82 -0.64 115.11 119.95 2nn5 h GLN 146 Ca 0.39 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.70 2nn5 h GLN 146 Cb 0.70 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 2nn5 h GLN 146 CO -0.15 0.67 0.20 0.82 -2.65 0.00 0.00 178.83 177.72 2nn5 h ILE 147 N 0.15 1.22 -0.56 2.39 2.04 -0.91 -1.28 117.51 120.55 2nn5 h ILE 147 Ca 0.05 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.28 2nn5 h ILE 147 Cb 0.52 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2nn5 h ILE 147 CO 0.02 0.26 0.31 -0.08 0.00 0.00 0.00 178.15 178.66 2nn5 h GLU 148 N 0.69 0.58 -0.75 2.37 4.81 -0.45 -1.87 114.58 119.97 2nn5 h GLU 148 Ca 0.17 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2nn5 h GLU 148 Cb 0.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2nn5 h GLU 148 CO -0.01 0.39 0.29 -0.97 -0.73 0.00 0.00 179.01 177.97 2nn5 h ASN 149 N 0.60 1.05 -0.54 1.04 -0.73 -0.94 0.09 115.58 116.15 2nn5 h ASN 149 Ca 0.24 -0.18 0.07 0.00 1.87 0.00 0.00 56.30 58.30 2nn5 h ASN 149 Cb 0.10 -0.27 -0.06 0.00 0.27 0.00 0.00 38.32 38.36 2nn5 h ASN 149 CO -0.14 0.94 0.20 -0.74 -0.37 0.00 0.00 177.43 177.33 2nn5 h HIS 150 N 1.09 0.36 -0.00 0.67 2.76 -0.59 -0.74 115.15 118.70 2nn5 h HIS 150 Ca 0.25 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.30 2nn5 h HIS 150 Cb 0.23 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 2nn5 h HIS 150 CO 0.02 0.12 -0.68 1.88 -1.30 0.00 0.00 177.93 177.97 2nn5 h TYR 151 N 0.39 0.02 -0.50 5.26 0.05 -1.07 -2.07 116.97 119.04 2nn5 h TYR 151 Ca 0.26 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.07 2nn5 h TYR 151 Cb 0.28 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 2nn5 h TYR 151 CO -0.16 0.69 0.26 1.25 -1.05 0.00 0.00 178.16 179.15 2nn5 h LEU 152 N 0.01 0.38 -0.74 3.88 5.85 -0.39 -1.07 115.31 123.23 2nn5 h LEU 152 Ca -0.01 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2nn5 h LEU 152 Cb 1.20 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2nn5 h LEU 152 CO 0.09 0.26 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.93 2nn5 h GLU 153 N 0.51 0.75 -0.41 1.25 5.08 -0.83 -0.49 114.58 120.45 2nn5 h GLU 153 Ca 0.22 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2nn5 h GLU 153 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2nn5 h GLU 153 CO -0.15 0.89 0.24 0.87 -1.00 0.00 0.00 179.01 179.86 2nn5 h LYS 154 N 0.66 0.57 -0.17 2.33 1.79 -1.00 -1.75 116.57 119.01 2nn5 h LYS 154 Ca 0.10 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.33 2nn5 h LYS 154 Cb 0.69 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2nn5 h LYS 154 CO 0.05 0.44 -0.63 -0.07 -1.08 0.00 0.00 179.45 178.16 2nn5 h LEU 155 N 0.54 0.68 -1.20 2.94 3.38 -0.96 -3.01 115.31 117.68 2nn5 h LEU 155 Ca 0.15 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2nn5 h LEU 155 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2nn5 h LEU 155 CO -0.03 1.14 0.31 0.74 0.09 0.00 0.00 178.44 180.69 2nn5 h THR 156 N 0.44 1.20 0.00 0.22 2.02 -1.00 -1.30 112.91 114.48 2nn5 h THR 156 Ca -0.01 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2nn5 h THR 156 Cb 1.20 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2nn5 h THR 156 CO 0.12 0.23 -0.05 -1.13 0.37 0.00 0.00 175.52 175.06 2nn5 h ASN 157 N 0.87 0.00 1.19 4.18 -0.73 -1.17 -2.37 115.58 117.55 2nn5 h ASN 157 Ca 0.22 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.35 2nn5 h ASN 157 Cb 0.07 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 2nn5 h ASN 157 CO -0.03 0.05 -0.18 -0.07 -0.37 0.00 0.00 177.43 176.82 2nn5 h LEU 158 N 0.00 0.00-10.08 0.34 3.38 -1.24 -3.45 115.31 104.26 2nn5 h LEU 158 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2nn5 h LEU 158 Cb 0.25 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.15 2nn5 h LEU 158 CO 0.01 0.18 0.54 -0.62 0.09 0.00 0.00 178.44 178.64 2nn5 n GLU 159 N -3.26 1.32 0.00 1.13 1.02 -0.90 -4.91 120.64 115.05 2nn5 n GLU 159 Ca 0.01 0.51 0.10 0.00 -0.02 0.00 0.00 57.16 57.76 2nn5 n GLU 159 Cb 0.46 -2.55 0.60 0.00 -0.02 0.00 0.00 31.44 29.94 2nn5 n GLU 159 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60