#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2m s SER 4 N -2.60 4.98 0.20 0.00 1.04 -1.14 -4.74 113.70 111.43 2d2m s SER 4 Ca 0.18 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 2d2m s SER 4 Cb -0.05 -0.44 0.29 0.00 0.10 0.00 0.00 66.02 65.92 2d2m s SER 4 CO 0.72 -1.37 1.15 -1.14 0.98 0.00 0.00 173.24 173.58 2d2m n ARG 5 N -2.45 -0.10 0.00 4.02 3.00 -1.26 -0.34 116.66 119.53 2d2m n ARG 5 Ca 0.11 1.15 -0.13 0.00 -0.00 0.00 0.00 57.85 58.98 2d2m n ARG 5 Cb 0.60 -1.71 -0.09 0.00 0.00 0.00 0.00 32.46 31.26 2d2m n ARG 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2d2m h GLY 6 N 0.00 -0.02 -0.07 5.14 0.00 -1.99 -1.01 103.07 105.13 2d2m h GLY 6 Ca 0.32 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.68 2d2m h GLY 6 CO -0.75 -0.01 -0.42 -0.55 0.00 0.00 0.00 176.54 174.81 2d2m h ASP 7 N -0.39 -1.32 -0.63 0.19 3.32 -1.04 -0.31 116.42 116.23 2d2m h ASP 7 Ca -0.00 0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.31 2d2m h ASP 7 Cb 0.38 0.51 -0.12 0.00 0.22 0.00 0.00 39.33 40.32 2d2m h ASP 7 CO 0.00 -0.38 -0.31 0.00 -1.72 0.00 0.00 179.24 176.82 2d2m h ALA 8 N -0.60 0.04 -0.71 3.45 0.00 -1.14 0.18 119.26 120.48 2d2m h ALA 8 Ca 0.02 0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.27 2d2m h ALA 8 Cb 0.54 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 2d2m h ALA 8 CO -0.32 -0.64 0.15 0.93 0.00 0.00 0.00 179.25 179.38 2d2m h GLU 9 N -0.13 0.24 -0.27 0.00 5.08 -0.14 0.57 114.58 119.94 2d2m h GLU 9 Ca 0.25 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2d2m h GLU 9 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2d2m h GLU 9 CO -0.70 0.16 -0.07 0.28 -1.00 0.00 0.00 179.01 177.68 2d2m h VAL 10 N 0.25 1.28 0.48 3.13 2.07 0.70 0.22 116.25 124.39 2d2m h VAL 10 Ca 0.40 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2d2m h VAL 10 Cb 0.67 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2d2m h VAL 10 CO -0.51 0.35 -0.44 0.58 0.02 0.00 0.00 177.57 177.57 2d2m h VAL 11 N 0.27 0.00 -0.79 2.57 2.07 0.82 0.68 116.25 121.87 2d2m h VAL 11 Ca 0.07 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.81 2d2m h VAL 11 Cb 0.55 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2d2m h VAL 11 CO 0.03 0.00 0.57 0.40 0.02 0.00 0.00 177.57 178.58 2d2m h ILE 12 N -0.91 0.62 0.29 4.57 2.04 0.08 0.68 117.51 124.88 2d2m h ILE 12 Ca -0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2d2m h ILE 12 Cb 0.77 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2d2m h ILE 12 CO -0.03 0.01 -0.14 -1.28 0.00 0.00 0.00 178.15 176.71 2d2m h SER 13 N 0.04 -0.33 -0.34 1.72 0.87 0.31 -1.94 113.55 113.88 2d2m h SER 13 Ca 0.38 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 61.04 2d2m h SER 13 Cb 1.46 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2d2m h SER 13 CO -0.02 0.00 0.24 -0.33 -0.53 0.00 0.00 176.83 176.19 2d2m h GLU 14 N -0.87 0.04 -0.05 2.24 5.08 0.13 0.37 114.58 121.52 2d2m h GLU 14 Ca -0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2d2m h GLU 14 Cb 0.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2d2m h GLU 14 CO 0.07 0.03 -0.09 2.35 -1.00 0.00 0.00 179.01 180.36 2d2m h TRP 15 N 0.04 0.19 0.00 4.33 2.91 0.26 -0.11 115.95 123.57 2d2m h TRP 15 Ca 0.16 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2d2m h TRP 15 Cb 0.59 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.20 2d2m h TRP 15 CO -0.00 0.68 0.00 -0.25 -1.03 0.00 0.00 178.44 177.84 2d2m n ASP 16 N -4.68 0.00 -0.00 2.65 10.43 -0.48 -1.23 116.55 123.23 2d2m n ASP 16 Ca -0.08 -0.18 -0.20 0.00 2.57 0.00 0.00 54.79 56.90 2d2m n ASP 16 Cb 0.34 -0.15 -0.14 0.00 1.84 0.00 0.00 41.12 43.01 2d2m n ASP 16 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 2d2m n GLN 17 N -1.15 0.75 0.18 -1.24 7.27 0.12 -2.43 117.38 120.88 2d2m n GLN 17 Ca 0.09 0.26 0.04 0.00 0.07 0.00 0.00 57.00 57.46 2d2m n GLN 17 Cb 0.09 -1.71 0.35 0.00 2.41 0.00 0.00 30.24 31.37 2d2m n GLN 17 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2d2m h VAL 18 N 0.07 1.08 -2.25 1.69 2.07 0.31 -3.15 116.25 116.06 2d2m h VAL 18 Ca -0.42 -1.48 -0.62 0.00 0.82 0.00 0.00 66.70 65.00 2d2m h VAL 18 Cb 2.03 1.85 -0.41 0.00 -1.52 0.00 0.00 31.29 33.24 2d2m h VAL 18 CO 0.08 0.39 -0.47 0.49 0.02 0.00 0.00 177.57 178.08 2d2m n PHE 19 N -3.76 3.56 -0.72 1.57 3.72 -0.37 -4.55 117.46 116.91 2d2m n PHE 19 Ca -0.01 -4.01 0.00 0.00 -0.05 0.00 0.00 57.45 53.37 2d2m n PHE 19 Cb 0.48 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2d2m n PHE 19 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2d2m n ASN 20 N 0.83 0.00 -3.80 4.37 6.94 -1.02 -4.59 115.26 117.99 2d2m n ASN 20 Ca 0.30 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.44 2d2m n ASN 20 Cb 0.40 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2d2m n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2d2m n ALA 21 N -3.00 5.67 0.00 -2.53 0.00 -1.26 -3.29 120.51 116.10 2d2m n ALA 21 Ca 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 49.07 2d2m n ALA 21 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 2d2m n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d2m n ALA 22 N 2.77 0.00 -0.10 0.00 0.00 -1.26 -5.01 120.51 116.91 2d2m n ALA 22 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 2d2m n ALA 22 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 2d2m n ALA 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2d2m n MET 23 N 0.00 0.53 -1.63 0.00 2.81 -1.25 -4.92 117.12 112.65 2d2m n MET 23 Ca 0.00 0.43 -0.44 0.00 -1.81 0.00 0.00 57.70 55.88 2d2m n MET 23 Cb 0.00 -1.62 -0.01 0.00 -0.71 0.00 0.00 33.22 30.88 2d2m n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d2m n ALA 24 N -3.85 0.40 -1.89 3.04 0.00 -1.21 -2.78 120.51 114.24 2d2m n ALA 24 Ca -0.27 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2d2m n ALA 24 Cb 0.58 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2d2m n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d2m n GLY 25 N 1.03 0.71 2.15 0.00 0.00 -1.26 -4.91 105.19 102.91 2d2m n GLY 25 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2d2m n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d2m n SER 26 N 1.60 -2.72 -2.74 1.61 7.64 -1.12 -5.03 113.62 112.86 2d2m n SER 26 Ca 0.00 0.72 -0.17 0.00 1.01 0.00 0.00 58.87 60.43 2d2m n SER 26 Cb 0.44 2.62 0.00 0.00 -1.01 0.00 0.00 64.21 66.26 2d2m n SER 26 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d2m n SER 27 N -3.39 2.43 0.22 6.43 7.64 -1.25 -4.76 113.62 120.93 2d2m n SER 27 Ca 0.00 -3.11 0.15 0.00 1.01 0.00 0.00 58.87 56.93 2d2m n SER 27 Cb 0.00 -0.53 0.66 0.00 -1.01 0.00 0.00 64.21 63.33 2d2m n SER 27 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2d2m h GLU 28 N 2.89 0.00 0.24 1.43 3.07 -1.96 -2.45 114.58 117.81 2d2m h GLU 28 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2d2m h GLU 28 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2d2m h GLU 28 CO 0.62 0.00 -0.12 0.66 -1.40 0.00 0.00 179.01 178.77 2d2m h SER 29 N 0.00 -0.28 -0.83 1.42 4.64 -1.97 1.03 113.55 117.56 2d2m h SER 29 Ca 0.00 -0.25 0.15 0.00 -0.47 0.00 0.00 61.79 61.22 2d2m h SER 29 Cb 0.36 0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 2d2m h SER 29 CO 0.00 0.18 0.41 0.00 -0.87 0.00 0.00 176.83 176.55 2d2m h ALA 30 N -0.31 1.24 -0.14 5.18 0.00 -1.82 0.56 119.26 123.98 2d2m h ALA 30 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2d2m h ALA 30 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2d2m h ALA 30 CO 0.05 -0.13 -0.25 0.28 0.00 0.00 0.00 179.25 179.21 2d2m h VAL 31 N 0.58 1.37 -0.13 0.00 2.07 -1.46 -2.88 116.25 115.79 2d2m h VAL 31 Ca 0.46 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2d2m h VAL 31 Cb 0.67 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 2d2m h VAL 31 CO -0.38 0.44 -0.09 1.23 0.02 0.00 0.00 177.57 178.80 2d2m h GLY 32 N 0.01 0.03 0.96 2.17 0.00 0.36 -0.50 103.07 106.09 2d2m h GLY 32 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2d2m h GLY 32 CO 0.06 -0.10 0.19 -0.39 0.00 0.00 0.00 176.54 176.30 2d2m h VAL 33 N -0.09 1.19 -1.00 4.60 -1.51 -0.12 -1.34 116.25 117.99 2d2m h VAL 33 Ca 0.08 -0.54 0.22 0.00 -1.23 0.00 0.00 66.70 65.23 2d2m h VAL 33 Cb 0.21 0.76 -0.12 0.00 -2.13 0.00 0.00 31.29 30.00 2d2m h VAL 33 CO -0.19 0.20 0.59 0.00 -1.23 0.00 0.00 177.57 176.95 2d2m h ALA 34 N 1.04 1.72 0.93 5.19 0.00 -1.22 0.38 119.26 127.32 2d2m h ALA 34 Ca 0.14 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2d2m h ALA 34 Cb 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2d2m h ALA 34 CO -0.02 -0.19 -0.45 0.82 0.00 0.00 0.00 179.25 179.41 2d2m h ILE 35 N 0.64 0.02 -0.19 0.00 1.08 -0.06 -2.21 117.51 116.79 2d2m h ILE 35 Ca 0.62 -0.07 0.05 0.00 -0.39 0.00 0.00 64.86 65.07 2d2m h ILE 35 Cb 1.10 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 2d2m h ILE 35 CO -0.45 0.00 -0.18 -0.26 -0.69 0.00 0.00 178.15 176.57 2d2m h PHE 36 N -1.32 -0.47 -0.68 1.37 -1.00 0.10 0.34 116.94 115.28 2d2m h PHE 36 Ca -0.13 0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.82 2d2m h PHE 36 Cb 0.96 0.24 -0.10 0.00 3.61 0.00 0.00 35.95 40.65 2d2m h PHE 36 CO -0.00 -0.26 0.13 -0.44 -1.61 0.00 0.00 178.31 176.13 2d2m h ASP 37 N -0.20 -0.06 0.18 2.17 5.19 -0.38 0.81 116.42 124.13 2d2m h ASP 37 Ca 0.12 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.60 2d2m h ASP 37 Cb 0.38 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2d2m h ASP 37 CO -0.31 -0.05 -0.27 0.00 -3.12 0.00 0.00 179.24 175.50 2d2m h ALA 38 N 1.57 1.39 0.36 3.45 0.00 -0.58 -2.03 119.26 123.43 2d2m h ALA 38 Ca 0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2d2m h ALA 38 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2d2m h ALA 38 CO -0.49 0.43 -0.17 0.35 0.00 0.00 0.00 179.25 179.36 2d2m h PHE 39 N 0.14 -0.45 -0.90 0.00 3.57 0.43 -2.75 116.94 116.97 2d2m h PHE 39 Ca 0.02 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.74 2d2m h PHE 39 Cb 0.55 0.15 -0.16 0.00 2.79 0.00 0.00 35.95 39.28 2d2m h PHE 39 CO 0.01 -0.28 0.02 0.74 -2.23 0.00 0.00 178.31 176.56 2d2m h PHE 40 N -0.63 -0.05 0.23 0.41 0.05 0.00 0.15 116.94 117.10 2d2m h PHE 40 Ca -0.05 0.07 0.01 0.00 3.82 0.00 0.00 57.97 61.81 2d2m h PHE 40 Cb 0.37 0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.46 2d2m h PHE 40 CO 0.08 -0.35 -0.34 0.00 -0.18 0.00 0.00 178.31 177.52 2d2m h ALA 41 N 1.88 -0.66 0.44 2.45 0.00 -1.37 0.18 119.26 122.18 2d2m h ALA 41 Ca 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2d2m h ALA 41 Cb 1.01 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2d2m h ALA 41 CO -0.82 -0.92 -0.21 0.66 0.00 0.00 0.00 179.25 177.96 2d2m h SER 42 N -0.64 -0.50 -0.29 0.00 4.64 -0.87 -3.29 113.55 112.60 2d2m h SER 42 Ca 0.00 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2d2m h SER 42 Cb 0.62 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2d2m h SER 42 CO -0.13 -0.08 0.20 0.77 -0.87 0.00 0.00 176.83 176.73 2d2m h SER 43 N -1.15 0.10 0.00 4.97 4.64 -0.87 -3.45 113.55 117.80 2d2m h SER 43 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2d2m h SER 43 Cb 0.47 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2d2m h SER 43 CO 0.10 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2d2m n GLY 44 N -1.56 2.83 3.30 -0.77 0.00 0.63 -4.96 105.19 104.66 2d2m n GLY 44 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2d2m n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d2m n VAL 45 N -1.97 0.74 -2.79 1.61 0.31 -1.25 -4.87 118.33 110.11 2d2m n VAL 45 Ca 0.00 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.42 2d2m n VAL 45 Cb 0.00 -0.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 2d2m n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2d2m s SER 46 N -1.12 6.76 0.62 4.52 1.04 -1.26 -4.77 113.70 119.49 2d2m s SER 46 Ca 0.58 0.77 0.33 0.00 0.48 0.00 0.00 55.95 58.11 2d2m s SER 46 Cb -0.42 -2.48 1.85 0.00 0.10 0.00 0.00 66.02 65.08 2d2m s SER 46 CO 0.65 -0.80 2.15 1.55 0.98 0.00 0.00 173.24 177.77 2d2m h PRO 47 N 8.24 0.00 -1.84 4.02 0.13 -1.89 -2.03 132.00 138.63 2d2m h PRO 47 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2d2m h PRO 47 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2d2m h PRO 47 CO 0.97 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.19 2d2m n SER 48 N -3.48 3.54 0.00 1.44 2.88 -1.26 -2.73 113.62 114.01 2d2m n SER 48 Ca -0.01 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2d2m n SER 48 Cb 0.25 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2d2m n SER 48 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2d2m n MET 49 N 1.41 3.29 -3.59 -1.46 0.00 -0.76 -4.88 117.12 111.13 2d2m n MET 49 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 2d2m n MET 49 Cb 0.37 -0.56 -0.02 0.00 0.00 0.00 0.00 33.22 33.00 2d2m n MET 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2d2m s PHE 50 N -0.93 2.89 -0.09 1.12 0.40 -1.10 -4.95 117.98 115.32 2d2m s PHE 50 Ca 0.00 -0.34 -0.38 0.00 -0.60 0.00 0.00 56.93 55.61 2d2m s PHE 50 Cb 0.00 -1.99 -0.16 0.00 0.51 0.00 0.00 43.02 41.38 2d2m s PHE 50 CO 0.00 0.00 1.56 -2.30 0.70 0.00 0.00 175.22 175.18 2d2m n PRO 51 N -1.53 1.22 -1.03 0.24 -0.02 -1.26 0.13 135.00 132.75 2d2m n PRO 51 Ca 0.01 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2d2m n PRO 51 Cb 0.60 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2d2m n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d2m n GLY 52 N 3.41 0.39 4.13 -1.23 0.00 -1.26 -2.34 105.19 108.29 2d2m n GLY 52 Ca 0.22 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2d2m n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d2m n GLY 53 N -1.40 -0.63 5.96 -0.02 0.00 0.35 -4.00 105.19 105.45 2d2m n GLY 53 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2d2m n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d2m n GLY 54 N -2.19 1.88 3.30 -0.02 0.00 -1.13 -4.28 105.19 102.76 2d2m n GLY 54 Ca -0.16 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2d2m n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d2m n ASP 55 N 7.94 -6.27 -0.33 1.61 4.64 -1.26 -4.49 116.55 118.40 2d2m n ASP 55 Ca 0.00 0.05 0.35 0.00 -1.38 0.00 0.00 54.79 53.81 2d2m n ASP 55 Cb 0.00 -2.83 0.60 0.00 -1.04 0.00 0.00 41.12 37.85 2d2m n ASP 55 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 2d2m h SER 56 N 2.05 0.00 -0.81 1.67 4.64 -1.93 0.74 113.55 119.90 2d2m h SER 56 Ca -0.39 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.52 2d2m h SER 56 Cb 1.28 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.13 2d2m h SER 56 CO 0.22 0.00 0.44 -0.46 -0.87 0.00 0.00 176.83 176.16 2d2m n ASN 57 N -3.55 3.45 -4.54 4.97 0.23 -1.26 -4.76 115.26 109.80 2d2m n ASN 57 Ca 0.28 -3.64 -0.40 0.00 -0.53 0.00 0.00 54.58 50.29 2d2m n ASN 57 Cb 1.55 -0.78 -0.11 0.00 -2.08 0.00 0.00 39.78 38.36 2d2m n ASN 57 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2d2m s ASN 58 N -1.63 5.99 0.34 0.53 3.84 0.26 -4.97 114.94 119.29 2d2m s ASN 58 Ca 0.54 -0.33 0.13 0.00 0.21 0.00 0.00 52.86 53.41 2d2m s ASN 58 Cb 0.46 -2.12 1.05 0.00 -0.55 0.00 0.00 41.25 40.09 2d2m s ASN 58 CO 0.08 -0.18 1.65 -0.65 -2.79 0.00 0.00 177.10 175.21 2d2m h PRO 59 N 8.44 0.27 0.41 0.43 0.11 -1.91 0.26 132.00 140.02 2d2m h PRO 59 Ca -0.32 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2d2m h PRO 59 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2d2m h PRO 59 CO 0.61 0.18 -0.20 0.93 -0.21 0.00 0.00 178.00 179.31 2d2m h GLU 60 N 0.27 -0.53 -0.77 1.05 3.07 -1.93 -2.48 114.58 113.26 2d2m h GLU 60 Ca 0.72 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 59.71 2d2m h GLU 60 Cb 1.64 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 29.62 2d2m h GLU 60 CO -0.64 -0.22 0.50 0.35 -1.40 0.00 0.00 179.01 177.61 2d2m h PHE 61 N -0.92 0.72 0.75 4.33 3.57 -0.87 0.43 116.94 124.95 2d2m h PHE 61 Ca -0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2d2m h PHE 61 Cb 0.56 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.07 2d2m h PHE 61 CO 0.02 0.33 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.00 2d2m h LEU 62 N 0.67 -0.85 -0.98 0.59 3.38 -0.98 0.67 115.31 117.80 2d2m h LEU 62 Ca 0.36 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.66 2d2m h LEU 62 Cb 0.49 0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.31 2d2m h LEU 62 CO -0.13 -0.59 0.51 0.00 0.09 0.00 0.00 178.44 178.32 2d2m h ALA 63 N -1.50 1.84 0.23 1.53 0.00 -0.92 0.65 119.26 121.10 2d2m h ALA 63 Ca -0.10 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2d2m h ALA 63 Cb 0.77 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2d2m h ALA 63 CO 0.17 -0.55 -0.11 0.37 0.00 0.00 0.00 179.25 179.12 2d2m h GLN 64 N 0.31 -0.30 -0.25 0.00 5.75 -0.22 -0.57 115.11 119.82 2d2m h GLN 64 Ca 0.71 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 59.28 2d2m h GLN 64 Cb 1.58 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 30.15 2d2m h GLN 64 CO -0.62 -0.17 -0.10 0.28 -2.65 0.00 0.00 178.83 175.57 2d2m h VAL 65 N -0.35 0.67 -0.34 2.39 2.07 0.59 -1.60 116.25 119.67 2d2m h VAL 65 Ca -0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2d2m h VAL 65 Cb 0.27 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 2d2m h VAL 65 CO 0.05 0.00 -0.24 -1.28 0.02 0.00 0.00 177.57 176.12 2d2m h SER 66 N -0.06 -0.80 -0.01 0.57 0.87 -0.38 0.14 113.55 113.88 2d2m h SER 66 Ca 0.13 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2d2m h SER 66 Cb 0.25 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2d2m h SER 66 CO -0.29 -0.27 0.01 0.03 -0.53 0.00 0.00 176.83 175.78 2d2m h ARG 67 N -0.20 0.00 0.02 2.24 3.08 -0.41 0.24 114.38 119.34 2d2m h ARG 67 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2d2m h ARG 67 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2d2m h ARG 67 CO -0.46 0.00 -0.01 0.28 -1.07 0.00 0.00 179.97 178.71 2d2m h VAL 68 N 0.00 1.48 -0.85 2.04 2.07 0.14 -2.15 116.25 118.98 2d2m h VAL 68 Ca 0.00 -1.87 0.07 0.00 0.82 0.00 0.00 66.70 65.73 2d2m h VAL 68 Cb 0.02 2.68 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 2d2m h VAL 68 CO -0.00 0.46 0.55 0.58 0.02 0.00 0.00 177.57 179.18 2d2m h VAL 69 N -0.88 1.03 0.69 2.57 2.07 -0.81 -1.23 116.25 119.69 2d2m h VAL 69 Ca -0.00 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2d2m h VAL 69 Cb 0.77 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2d2m h VAL 69 CO 0.00 0.17 -0.33 -1.28 0.02 0.00 0.00 177.57 176.15 2d2m h SER 70 N 0.91 -0.78 -0.58 0.57 0.87 -0.98 -0.09 113.55 113.46 2d2m h SER 70 Ca 0.37 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.06 2d2m h SER 70 Cb 0.27 0.20 -0.11 0.00 -0.44 0.00 0.00 62.40 62.32 2d2m h SER 70 CO -0.14 -0.52 -0.20 1.23 -0.53 0.00 0.00 176.83 176.67 2d2m h GLY 71 N -0.99 0.29 0.37 5.77 0.00 -0.86 0.33 103.07 107.99 2d2m h GLY 71 Ca -0.09 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.60 2d2m h GLY 71 CO 0.16 -0.23 0.33 0.00 0.00 0.00 0.00 176.54 176.80 2d2m h ALA 72 N 1.43 1.00 -0.62 3.60 0.00 -1.03 -1.16 119.26 122.48 2d2m h ALA 72 Ca 0.27 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 2d2m h ALA 72 Cb 0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2d2m h ALA 72 CO -0.63 -0.10 0.13 0.22 0.00 0.00 0.00 179.25 178.87 2d2m h ASP 73 N 0.55 0.96 -0.39 0.00 1.82 0.14 0.04 116.42 119.54 2d2m h ASP 73 Ca 0.37 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2d2m h ASP 73 Cb 0.45 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2d2m h ASP 73 CO -0.31 0.96 0.26 0.40 -1.61 0.00 0.00 179.24 178.93 2d2m h ILE 74 N 0.92 1.10 -0.07 2.25 2.04 0.49 -1.63 117.51 122.61 2d2m h ILE 74 Ca 0.19 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2d2m h ILE 74 Cb 0.39 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2d2m h ILE 74 CO 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 178.15 178.24 2d2m h ALA 75 N 1.14 0.09 0.19 1.87 0.00 -1.07 -3.24 119.26 118.24 2d2m h ALA 75 Ca 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2d2m h ALA 75 Cb -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2d2m h ALA 75 CO -0.03 -0.21 -0.39 0.82 0.00 0.00 0.00 179.25 179.44 2d2m h ILE 76 N -0.20 0.20 0.00 0.00 2.04 -0.89 -1.28 117.51 117.38 2d2m h ILE 76 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2d2m h ILE 76 Cb 0.39 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2d2m h ILE 76 CO 0.01 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.75 2d2m n ASN 77 N -5.46 0.00 -0.05 1.72 3.02 -0.62 -1.22 115.26 112.64 2d2m n ASN 77 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.49 2d2m n ASN 77 Cb 0.37 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 2d2m n ASN 77 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2d2m n SER 78 N -0.84 1.54 0.25 6.41 2.88 -0.49 -4.74 113.62 118.63 2d2m n SER 78 Ca 0.00 -2.03 0.11 0.00 -1.33 0.00 0.00 58.87 55.62 2d2m n SER 78 Cb 0.00 -0.10 0.64 0.00 -0.75 0.00 0.00 64.21 64.00 2d2m n SER 78 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2d2m h LEU 79 N 0.00 0.00 -0.77 2.46 3.38 -1.05 -2.72 115.31 116.61 2d2m h LEU 79 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2d2m h LEU 79 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2d2m h LEU 79 CO 0.00 0.16 -0.26 0.71 0.09 0.00 0.00 178.44 179.15 2d2m h THR 80 N 0.00 1.27 -3.22 0.22 1.35 -1.85 -3.37 112.91 107.32 2d2m h THR 80 Ca -0.00 -1.35 -0.74 0.00 -0.55 0.00 0.00 66.41 63.77 2d2m h THR 80 Cb 0.43 1.30 -0.26 0.00 -1.73 0.00 0.00 68.15 67.90 2d2m h THR 80 CO 0.02 0.44 -0.31 0.21 -0.25 0.00 0.00 175.52 175.63 2d2m s ASN 81 N -6.78 5.99 0.05 5.36 3.84 -1.03 -4.97 114.94 117.40 2d2m s ASN 81 Ca -0.08 -1.73 -0.27 0.00 0.21 0.00 0.00 52.86 50.98 2d2m s ASN 81 Cb 0.13 -2.13 -0.14 0.00 -0.55 0.00 0.00 41.25 38.56 2d2m s ASN 81 CO 0.82 -0.75 1.42 -0.09 -2.79 0.00 0.00 177.10 175.71 2d2m h ARG 82 N 8.70 -0.84 -0.74 0.43 9.65 -1.77 -2.71 114.38 127.10 2d2m h ARG 82 Ca -0.27 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 58.76 2d2m h ARG 82 Cb 1.09 0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 29.76 2d2m h ARG 82 CO 0.94 -0.56 -0.37 0.00 2.80 0.00 0.00 179.97 182.78 2d2m n ALA 83 N -2.60 -0.30 0.19 2.80 0.00 -1.26 0.16 120.51 119.50 2d2m n ALA 83 Ca -0.11 0.68 0.07 0.00 0.00 0.00 0.00 53.44 54.08 2d2m n ALA 83 Cb 0.37 -0.21 0.28 0.00 0.00 0.00 0.00 19.45 19.89 2d2m n ALA 83 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2d2m h THR 84 N 0.00 0.70 -0.30 0.00 1.35 -1.91 -3.17 112.91 109.57 2d2m h THR 84 Ca 0.18 -1.56 -0.06 0.00 -0.55 0.00 0.00 66.41 64.43 2d2m h THR 84 Cb 0.37 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 2d2m h THR 84 CO -0.71 0.33 -0.03 0.00 -0.25 0.00 0.00 175.52 174.85 2d2m h ASP 86 N 0.34 0.01 0.53 0.00 3.32 -1.24 0.44 116.42 119.82 2d2m h ASP 86 Ca 0.08 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2d2m h ASP 86 Cb 0.50 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2d2m h ASP 86 CO 0.02 0.03 -0.45 -1.28 -1.72 0.00 0.00 179.24 175.84 2d2m h SER 87 N 0.25 -1.20 -0.82 6.45 0.87 -1.50 0.87 113.55 118.48 2d2m h SER 87 Ca 0.27 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 61.12 2d2m h SER 87 Cb 0.37 0.38 -0.13 0.00 -0.44 0.00 0.00 62.40 62.59 2d2m h SER 87 CO -0.35 -0.63 0.21 -0.07 -0.53 0.00 0.00 176.83 175.46 2d2m h LEU 88 N -0.97 0.00 -0.22 2.23 3.38 -0.65 -0.85 115.31 118.23 2d2m h LEU 88 Ca -0.06 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2d2m h LEU 88 Cb 0.83 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2d2m h LEU 88 CO -0.02 -0.10 -0.03 -0.07 0.09 0.00 0.00 178.44 178.32 2d2m h LEU 89 N 0.24 0.41 -0.84 1.67 3.38 -0.53 -2.66 115.31 116.98 2d2m h LEU 89 Ca 0.49 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2d2m h LEU 89 Cb 0.91 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2d2m h LEU 89 CO -0.59 0.65 0.49 -1.28 0.09 0.00 0.00 178.44 177.80 2d2m h SER 90 N 0.16 0.72 -0.53 -0.43 0.87 0.49 0.41 113.55 115.24 2d2m h SER 90 Ca 0.06 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2d2m h SER 90 Cb 0.46 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2d2m h SER 90 CO 0.02 0.42 0.29 -0.74 -0.53 0.00 0.00 176.83 176.29 2d2m h HIS 91 N 0.83 0.54 -0.46 2.24 -0.00 -1.17 0.84 115.15 117.97 2d2m h HIS 91 Ca 0.40 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.76 2d2m h HIS 91 Cb 0.33 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 2d2m h HIS 91 CO -0.05 0.28 0.18 -0.07 -0.00 0.00 0.00 177.93 178.28 2d2m h LEU 92 N 0.57 0.64 0.03 0.26 3.38 -0.74 -2.10 115.31 117.36 2d2m h LEU 92 Ca 0.22 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2d2m h LEU 92 Cb 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2d2m h LEU 92 CO -0.13 0.64 -0.49 -1.13 0.09 0.00 0.00 178.44 177.42 2d2m h ASN 93 N 0.61 -1.49 -0.73 -0.43 -0.00 0.85 -1.29 115.58 113.10 2d2m h ASN 93 Ca 0.15 0.16 0.16 0.00 -0.00 0.00 0.00 56.30 56.78 2d2m h ASN 93 Cb 0.20 0.56 -0.13 0.00 -0.00 0.00 0.00 38.32 38.95 2d2m h ASN 93 CO -0.01 -0.49 -0.03 0.00 -0.00 0.00 0.00 177.43 176.90 2d2m h ALA 94 N -0.56 0.71 -0.89 1.57 0.00 -0.70 0.25 119.26 119.63 2d2m h ALA 94 Ca 0.01 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2d2m h ALA 94 Cb 0.67 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2d2m h ALA 94 CO -0.31 -0.42 0.58 1.96 0.00 0.00 0.00 179.25 181.07 2d2m h GLN 95 N 0.08 0.96 0.00 0.00 4.20 -0.64 -2.34 115.11 117.38 2d2m h GLN 95 Ca 0.39 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.83 2d2m h GLN 95 Cb 0.67 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2d2m h GLN 95 CO -0.66 0.63 -1.15 0.45 -0.67 0.00 0.00 178.83 177.43 2d2m h HIS 96 N 0.99 0.00 -0.86 2.96 3.86 0.24 -3.22 115.15 119.12 2d2m h HIS 96 Ca 0.39 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.69 2d2m h HIS 96 Cb 0.24 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 2d2m h HIS 96 CO -0.00 0.89 0.56 0.00 0.86 0.00 0.00 177.93 180.24 2d2m h ARG 97 N 0.00 0.82 -0.99 2.45 3.08 -0.11 -0.10 114.38 119.53 2d2m h ARG 97 Ca -0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2d2m h ARG 97 Cb 1.76 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 2d2m h ARG 97 CO 0.10 0.54 0.01 0.00 -1.07 0.00 0.00 179.97 179.56 2d2m n ALA 98 N -2.42 2.58 -3.61 0.04 0.00 -1.01 -4.56 120.51 111.53 2d2m n ALA 98 Ca 0.14 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 2d2m n ALA 98 Cb 0.30 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 2d2m n ALA 98 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d2m s ILE 99 N -0.66 0.48 -0.47 0.00 1.01 -0.05 -5.08 121.20 116.43 2d2m s ILE 99 Ca 0.02 -1.41 -0.27 0.00 0.00 0.00 0.00 60.65 58.99 2d2m s ILE 99 Cb 0.02 -1.37 -0.08 0.00 0.01 0.00 0.00 42.46 41.04 2d2m s ILE 99 CO 0.01 -0.79 2.39 -1.54 0.00 0.00 0.00 174.94 175.01 2d2m n SER 100 N 4.63 2.34 0.00 3.58 3.41 -1.26 -2.93 113.62 123.39 2d2m n SER 100 Ca 0.01 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2d2m n SER 100 Cb 0.40 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2d2m n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d2m n GLY 101 N 6.03 -0.60 3.13 5.00 0.00 -1.26 -5.12 105.19 112.36 2d2m n GLY 101 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 2d2m n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d2m s VAL 102 N 0.00 2.95 -0.14 1.61 1.01 -1.15 -5.09 120.40 119.58 2d2m s VAL 102 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 61.98 60.18 2d2m s VAL 102 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2d2m s VAL 102 CO 0.00 -0.34 0.13 0.42 0.00 0.00 0.00 175.10 175.31 2d2m s THR 103 N 1.17 5.46 0.36 3.92 -4.23 -1.26 -4.81 115.64 116.24 2d2m s THR 103 Ca 0.01 0.20 0.14 0.00 -1.18 0.00 0.00 61.69 60.86 2d2m s THR 103 Cb -0.21 -3.41 0.35 0.00 1.34 0.00 0.00 72.50 70.58 2d2m s THR 103 CO -0.03 0.57 1.75 1.23 -0.54 0.00 0.00 174.62 177.60 2d2m h GLY 104 N 5.49 1.54 2.00 3.99 0.00 -1.78 1.29 103.07 115.59 2d2m h GLY 104 Ca -0.51 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 2d2m h GLY 104 CO 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 176.54 176.97 2d2m h ALA 105 N 1.67 1.24 0.09 3.60 0.00 -1.92 -2.36 119.26 121.59 2d2m h ALA 105 Ca 0.62 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 55.15 2d2m h ALA 105 Cb 1.38 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2d2m h ALA 105 CO -0.38 0.03 -2.02 0.00 0.00 0.00 0.00 179.25 176.88 2d2m n ALA 106 N -2.21 1.03 -0.21 0.00 0.00 0.43 -3.64 120.51 115.91 2d2m n ALA 106 Ca -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 53.44 52.76 2d2m n ALA 106 Cb 0.12 -0.64 0.13 0.00 0.00 0.00 0.00 19.45 19.06 2d2m n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2d2m h VAL 107 N 0.05 0.57 -0.15 0.00 2.07 -0.62 0.55 116.25 118.72 2d2m h VAL 107 Ca -0.42 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2d2m h VAL 107 Cb 2.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2d2m h VAL 107 CO 0.07 0.04 -0.13 0.71 0.02 0.00 0.00 177.57 178.28 2d2m h THR 108 N 0.23 1.18 -0.22 2.57 1.35 -1.67 0.15 112.91 116.49 2d2m h THR 108 Ca 0.34 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2d2m h THR 108 Cb 0.54 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2d2m h THR 108 CO -0.46 0.24 0.14 0.45 -0.25 0.00 0.00 175.52 175.65 2d2m h HIS 109 N 0.22 0.28 -0.51 4.73 -0.00 -0.06 0.68 115.15 120.49 2d2m h HIS 109 Ca 0.04 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.33 2d2m h HIS 109 Cb 0.37 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 2d2m h HIS 109 CO 0.01 0.19 -0.04 1.25 -0.00 0.00 0.00 177.93 179.33 2d2m h LEU 110 N 0.30 0.87 -0.52 2.43 7.12 -0.40 -1.11 115.31 123.99 2d2m h LEU 110 Ca 0.08 -0.24 -0.09 0.00 0.13 0.00 0.00 57.88 57.76 2d2m h LEU 110 Cb -0.02 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 39.85 2d2m h LEU 110 CO -0.02 0.96 -0.04 0.77 -0.13 0.00 0.00 178.44 179.98 2d2m h SER 111 N 0.82 0.93 0.92 1.25 4.64 -0.34 -2.41 113.55 119.37 2d2m h SER 111 Ca 0.15 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2d2m h SER 111 Cb 0.54 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2d2m h SER 111 CO 0.03 1.03 -0.20 1.56 -0.87 0.00 0.00 176.83 178.38 2d2m h GLN 112 N 0.81 0.00 -0.46 4.77 4.20 0.59 -2.76 115.11 122.26 2d2m h GLN 112 Ca 0.14 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 2d2m h GLN 112 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2d2m h GLN 112 CO 0.03 0.20 -0.12 0.00 -0.67 0.00 0.00 178.83 178.28 2d2m h ALA 113 N 1.80 0.63 0.33 3.87 0.00 -0.73 -1.68 119.26 123.48 2d2m h ALA 113 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2d2m h ALA 113 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2d2m h ALA 113 CO 0.03 0.53 -0.17 0.82 0.00 0.00 0.00 179.25 180.46 2d2m h ILE 114 N 0.73 0.66 -0.09 0.00 2.04 -1.17 -1.05 117.51 118.62 2d2m h ILE 114 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2d2m h ILE 114 Cb 0.66 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2d2m h ILE 114 CO 0.05 0.00 -0.34 0.28 0.00 0.00 0.00 178.15 178.13 2d2m h SER 115 N -0.46 -1.05 -0.43 1.72 0.02 -1.47 0.12 113.55 111.99 2d2m h SER 115 Ca -0.04 0.15 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2d2m h SER 115 Cb 0.35 0.44 -0.08 0.00 0.14 0.00 0.00 62.40 63.25 2d2m h SER 115 CO 0.07 -0.38 -0.06 -1.28 -1.14 0.00 0.00 176.83 174.04 2d2m h SER 116 N -0.44 -0.30 -0.58 3.07 0.87 -1.16 -0.01 113.55 114.99 2d2m h SER 116 Ca 0.08 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2d2m h SER 116 Cb 0.57 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 2d2m h SER 116 CO -0.34 -0.10 0.10 0.58 -0.53 0.00 0.00 176.83 176.54 2d2m h VAL 117 N 0.05 1.25 -0.47 2.23 2.07 -0.76 -1.28 116.25 119.34 2d2m h VAL 117 Ca 0.21 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.80 2d2m h VAL 117 Cb 0.32 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2d2m h VAL 117 CO -0.40 0.36 0.21 0.58 0.02 0.00 0.00 177.57 178.34 2d2m h VAL 118 N 0.93 0.92 -0.80 2.57 2.07 0.63 -0.95 116.25 121.62 2d2m h VAL 118 Ca 0.19 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2d2m h VAL 118 Cb 0.40 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2d2m h VAL 118 CO 0.01 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.12 2d2m h ALA 119 N 1.27 1.03 -0.16 1.67 0.00 -0.53 0.90 119.26 123.43 2d2m h ALA 119 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2d2m h ALA 119 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2d2m h ALA 119 CO -0.17 0.54 0.06 1.96 0.00 0.00 0.00 179.25 181.63 2d2m h GLN 120 N 1.11 0.13 -0.17 0.00 4.20 -0.38 -2.49 115.11 117.52 2d2m h GLN 120 Ca 0.28 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 2d2m h GLN 120 Cb 0.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2d2m h GLN 120 CO -0.05 0.09 -0.47 0.28 -0.67 0.00 0.00 178.83 178.01 2d2m h VAL 121 N 0.13 1.33 -3.47 -0.54 2.07 -0.87 -3.37 116.25 111.54 2d2m h VAL 121 Ca 0.07 -1.73 -0.69 0.00 0.82 0.00 0.00 66.70 65.17 2d2m h VAL 121 Cb 0.04 1.98 -0.36 0.00 -1.52 0.00 0.00 31.29 31.43 2d2m h VAL 121 CO -0.07 0.53 -0.34 -0.22 0.02 0.00 0.00 177.57 177.50 2d2m s LEU 122 N -8.69 5.22 0.49 2.57 2.96 0.31 -4.95 118.68 116.59 2d2m s LEU 122 Ca -0.12 -3.11 0.30 0.00 -0.22 0.00 0.00 54.13 50.98 2d2m s LEU 122 Cb 0.07 -1.84 1.39 0.00 0.50 0.00 0.00 46.19 46.31 2d2m s LEU 122 CO 0.84 -0.30 1.79 -0.65 -1.32 0.00 0.00 176.35 176.71 2d2m h PRO 123 N 6.68 0.13 0.00 0.98 0.11 -1.63 0.56 132.00 138.84 2d2m h PRO 123 Ca 0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2d2m h PRO 123 Cb 0.91 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2d2m h PRO 123 CO 0.74 0.09 -0.15 0.77 -0.21 0.00 0.00 178.00 179.23 2d2m h SER 124 N 0.14 0.00 -0.15 -2.05 0.02 -1.93 -3.47 113.55 106.12 2d2m h SER 124 Ca 0.57 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.39 2d2m h SER 124 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 2d2m h SER 124 CO -0.12 0.15 0.10 0.00 -1.14 0.00 0.00 176.83 175.83 2d2m n ALA 125 N -2.42 -0.20 -1.91 3.77 0.00 0.19 -4.73 120.51 115.21 2d2m n ALA 125 Ca -0.02 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2d2m n ALA 125 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 2d2m n ALA 125 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2d2m n HIS 126 N 0.60 3.64 0.06 0.00 -0.00 -1.26 -4.77 115.22 113.49 2d2m n HIS 126 Ca 0.05 -2.76 0.02 0.00 0.46 0.00 0.00 57.72 55.49 2d2m n HIS 126 Cb -0.01 -2.50 0.10 0.00 -0.12 0.00 0.00 29.99 27.46 2d2m n HIS 126 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2d2m n ILE 127 N 5.66 0.77 -0.06 3.57 -5.35 -1.26 -0.87 119.36 121.81 2d2m n ILE 127 Ca 0.51 0.59 -0.19 0.00 -0.27 0.00 0.00 62.75 63.38 2d2m n ILE 127 Cb 0.41 -1.59 -0.13 0.00 -1.74 0.00 0.00 39.64 36.60 2d2m n ILE 127 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2d2m h ASP 128 N 0.00 0.11 -0.48 7.28 -0.00 -2.00 -3.25 116.42 118.08 2d2m h ASP 128 Ca 0.00 -0.77 -0.12 0.00 -0.00 0.00 0.00 57.03 56.14 2d2m h ASP 128 Cb 0.63 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.91 2d2m h ASP 128 CO 0.00 1.36 -0.17 0.00 -0.00 0.00 0.00 179.24 180.43 2d2m h ALA 129 N -0.20 0.67 -0.03 -0.78 0.00 -1.40 -2.06 119.26 115.46 2d2m h ALA 129 Ca -0.22 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.36 2d2m h ALA 129 Cb 1.33 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2d2m h ALA 129 CO -0.07 0.62 -0.22 -1.49 0.00 0.00 0.00 179.25 178.09 2d2m h TRP 130 N 0.82 -0.59 -0.52 0.00 4.06 -1.45 -0.13 115.95 118.14 2d2m h TRP 130 Ca 0.12 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.05 2d2m h TRP 130 Cb 0.74 0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 2d2m h TRP 130 CO 0.05 -0.31 0.18 0.93 -3.56 0.00 0.00 178.44 175.74 2d2m h GLU 131 N -0.33 0.76 -0.76 0.49 4.39 -1.58 0.78 114.58 118.33 2d2m h GLU 131 Ca 0.07 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2d2m h GLU 131 Cb 0.43 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 2d2m h GLU 131 CO -0.22 0.65 0.45 1.88 -1.16 0.00 0.00 179.01 180.61 2d2m h TYR 132 N 0.75 0.84 0.07 4.33 0.99 -0.52 -0.91 116.97 122.51 2d2m h TYR 132 Ca 0.18 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.74 2d2m h TYR 132 Cb 0.19 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.65 2d2m h TYR 132 CO 0.01 0.42 -1.00 0.00 -0.00 0.00 0.00 178.16 177.59 2d2m h MET 134 N -0.62 0.00 -0.07 0.00 2.86 0.56 0.23 114.93 117.89 2d2m h MET 134 Ca -0.23 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 2d2m h MET 134 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2d2m h MET 134 CO -0.00 0.00 -0.23 0.00 1.06 0.00 0.00 176.91 177.74 2d2m h ALA 135 N 1.85 0.12 -0.05 6.32 0.00 -1.23 -0.97 119.26 125.30 2d2m h ALA 135 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2d2m h ALA 135 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2d2m h ALA 135 CO 0.00 0.10 -0.01 -0.92 0.00 0.00 0.00 179.25 178.42 2d2m h TYR 136 N -0.23 -0.03 -0.54 0.00 3.20 -0.66 -1.23 116.97 117.48 2d2m h TYR 136 Ca -0.01 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2d2m h TYR 136 Cb 0.86 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 2d2m h TYR 136 CO 0.13 -0.02 0.21 0.82 -1.64 0.00 0.00 178.16 177.65 2d2m h ILE 137 N -0.00 1.20 0.00 1.81 2.04 -1.26 -1.58 117.51 119.72 2d2m h ILE 137 Ca 0.02 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2d2m h ILE 137 Cb 0.04 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2d2m h ILE 137 CO -0.05 0.25 -0.10 0.00 0.00 0.00 0.00 178.15 178.25 2d2m h ALA 138 N 1.46 1.03 0.20 1.87 0.00 -0.71 -2.55 119.26 120.56 2d2m h ALA 138 Ca 0.18 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2d2m h ALA 138 Cb 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.97 2d2m h ALA 138 CO -0.02 0.12 -1.24 0.00 0.00 0.00 0.00 179.25 178.11 2d2m h ALA 139 N 1.90 -0.11 -0.65 0.00 0.00 -0.27 -2.84 119.26 117.29 2d2m h ALA 139 Ca -0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 2d2m h ALA 139 Cb 0.59 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2d2m h ALA 139 CO 0.01 0.60 0.07 0.78 0.00 0.00 0.00 179.25 180.70 2d2m h GLY 140 N -0.03 1.20 0.35 0.00 0.00 -1.24 -0.88 103.07 102.47 2d2m h GLY 140 Ca -0.22 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 2d2m h GLY 140 CO 0.22 0.77 -0.04 -2.22 0.00 0.00 0.00 176.54 175.26 2d2m h ILE 141 N 1.03 1.14 -0.25 2.60 2.04 -1.59 -3.27 117.51 119.22 2d2m h ILE 141 Ca 0.19 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 2d2m h ILE 141 Cb 0.49 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2d2m h ILE 141 CO 0.02 0.30 0.02 0.61 0.00 0.00 0.00 178.15 179.10 2d2m n GLY 142 N 0.65 2.18 3.62 5.37 0.00 -1.07 -3.96 105.19 111.98 2d2m n GLY 142 Ca -0.08 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2d2m n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d2m n ALA 143 N 0.22 1.62 -0.73 4.61 0.00 -0.33 -1.35 120.51 124.54 2d2m n ALA 143 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2d2m n ALA 143 Cb 0.67 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2d2m n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d2m n GLY 144 N 5.26 1.50 0.05 0.00 0.00 -1.26 -5.03 105.19 105.72 2d2m n GLY 144 Ca 0.26 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.44 2d2m n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36