#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2m s LYS 13 N 0.00 0.37 0.42 -4.13 -2.85 -1.26 -5.17 119.74 107.12 1n2m s LYS 13 Ca 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 55.97 54.97 1n2m s LYS 13 Cb 0.00 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1n2m s LYS 13 CO 0.00 -0.13 0.69 -0.51 0.10 0.00 0.00 175.35 175.50 1n2m s LEU 14 N -1.32 3.80 0.34 2.77 1.43 -1.26 -5.02 118.68 119.42 1n2m s LEU 14 Ca 0.04 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 1n2m s LEU 14 Cb -0.01 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.44 1n2m s LEU 14 CO -0.03 -0.45 1.42 -2.65 0.23 0.00 0.00 176.35 174.87 1n2m n PRO 15 N -1.98 2.42 -0.07 1.29 -0.02 -1.26 -4.91 135.00 130.47 1n2m n PRO 15 Ca -0.01 0.85 0.03 0.00 -2.02 0.00 0.00 63.50 62.34 1n2m n PRO 15 Cb 0.55 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1n2m n PRO 15 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1n2m n ASN 16 N 0.96 2.35 -3.99 2.55 0.23 -0.38 -4.57 115.26 112.42 1n2m n ASN 16 Ca 0.04 -2.11 -0.13 0.00 -0.53 0.00 0.00 54.58 51.86 1n2m n ASN 16 Cb 0.37 -0.11 -0.12 0.00 -2.08 0.00 0.00 39.78 37.83 1n2m n ASN 16 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n2m s THR 17 N -1.19 0.36 -0.03 5.53 -4.23 -0.71 -1.04 115.64 114.33 1n2m s THR 17 Ca 0.10 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1n2m s THR 17 Cb 0.07 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.52 1n2m s THR 17 CO 0.05 -0.22 -0.06 0.54 -0.54 0.00 0.00 174.62 174.39 1n2m s VAL 18 N -0.87 0.59 -0.12 2.29 0.11 0.03 -0.86 120.40 121.58 1n2m s VAL 18 Ca -0.07 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1n2m s VAL 18 Cb -0.07 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1n2m s VAL 18 CO -0.00 0.21 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.43 1n2m s SER 19 N 0.54 2.33 -0.21 3.54 0.01 0.22 -0.71 113.70 119.42 1n2m s SER 19 Ca -0.07 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.58 1n2m s SER 19 Cb -0.11 -0.98 -0.02 0.00 0.21 0.00 0.00 66.02 65.12 1n2m s SER 19 CO 0.00 -0.06 0.74 -0.76 0.41 0.00 0.00 173.24 173.57 1n2m s LEU 20 N 1.42 4.12 0.11 2.44 1.02 -1.26 -0.56 118.68 125.97 1n2m s LEU 20 Ca 0.01 0.97 0.04 0.00 0.02 0.00 0.00 54.13 55.16 1n2m s LEU 20 Cb -0.13 -3.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.97 1n2m s LEU 20 CO -0.07 -0.39 -0.10 0.68 0.02 0.00 0.00 176.35 176.50 1n2m s VAL 21 N 2.32 0.96 0.08 -1.59 -7.23 -0.06 -4.89 120.40 109.99 1n2m s VAL 21 Ca 0.33 -1.79 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 1n2m s VAL 21 Cb -0.16 -1.53 0.06 0.00 0.56 0.00 0.00 36.38 35.31 1n2m s VAL 21 CO 0.10 -0.65 0.54 0.00 -0.31 0.00 0.00 175.10 174.77 1n2m s ALA 22 N -2.83 -1.38 -0.08 1.32 0.00 -1.26 -0.39 121.76 117.14 1n2m s ALA 22 Ca 0.09 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.25 1n2m s ALA 22 Cb -0.00 0.54 0.13 0.00 0.00 0.00 0.00 23.12 23.79 1n2m s ALA 22 CO -0.01 -0.59 1.30 0.20 0.00 0.00 0.00 175.76 176.66 1n2m s GLY 23 N -2.25 -0.39 0.16 0.00 0.00 0.11 -3.91 107.32 101.04 1n2m s GLY 23 Ca -0.03 0.99 -0.06 0.00 0.00 0.00 0.00 44.72 45.63 1n2m s GLY 23 CO -0.05 0.25 0.21 -1.35 0.00 0.00 0.00 173.10 172.15 1n2m s SER 24 N -2.76 0.12 -0.15 1.64 1.04 -1.26 -0.14 113.70 112.19 1n2m s SER 24 Ca 0.13 -1.02 -0.31 0.00 0.48 0.00 0.00 55.95 55.23 1n2m s SER 24 Cb 0.04 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.69 1n2m s SER 24 CO -0.04 -0.85 1.08 -0.55 0.98 0.00 0.00 173.24 173.86 1n2m s SER 25 N -3.01 -0.26 0.73 7.02 0.15 -0.73 -4.43 113.70 113.17 1n2m s SER 25 Ca 0.21 0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.95 1n2m s SER 25 Cb 0.05 0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.69 1n2m s SER 25 CO 0.02 -0.33 1.03 -1.61 1.20 0.00 0.00 173.24 173.55 1n2m s GLU 26 N -1.92 1.83 -0.24 5.44 0.41 -1.26 -0.89 118.70 122.06 1n2m s GLU 26 Ca 0.04 -0.58 -0.29 0.00 -0.41 0.00 0.00 54.97 53.74 1n2m s GLU 26 Cb -0.01 -2.20 0.16 0.00 -1.78 0.00 0.00 34.13 30.31 1n2m s GLU 26 CO -0.04 -1.44 1.21 0.20 -0.49 0.00 0.00 175.26 174.71 1n2m s GLY 27 N -4.63 -0.03 0.51 -1.39 0.00 0.02 -4.29 107.32 97.52 1n2m s GLY 27 Ca 0.64 2.61 0.30 0.00 0.00 0.00 0.00 44.72 48.27 1n2m s GLY 27 CO 0.45 1.23 1.93 0.83 0.00 0.00 0.00 173.10 177.55 1n2m h GLU 28 N 2.53 0.00 -4.32 2.90 5.08 -1.89 -3.40 114.58 115.47 1n2m h GLU 28 Ca -0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1n2m h GLU 28 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 1n2m h GLU 28 CO 0.24 0.09 -0.69 0.95 -1.00 0.00 0.00 179.01 178.61 1n2m s THR 29 N -3.70 0.32 0.23 1.13 -4.23 -1.26 -5.03 115.64 103.10 1n2m s THR 29 Ca 0.01 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1n2m s THR 29 Cb 0.10 -1.48 0.18 0.00 1.34 0.00 0.00 72.50 72.64 1n2m s THR 29 CO 0.58 -0.94 1.79 -0.65 -0.54 0.00 0.00 174.62 174.86 1n2m h PRO 30 N 3.20 0.62 -0.33 3.99 0.11 -1.97 -0.40 132.00 137.23 1n2m h PRO 30 Ca -0.34 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1n2m h PRO 30 Cb 1.15 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1n2m h PRO 30 CO 0.64 0.41 -0.19 1.25 -0.21 0.00 0.00 178.00 179.90 1n2m h LEU 31 N 0.64 0.61 -0.71 2.35 5.85 -1.97 -0.79 115.31 121.28 1n2m h LEU 31 Ca 0.35 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1n2m h LEU 31 Cb 0.36 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1n2m h LEU 31 CO -0.26 0.80 -0.35 0.78 -0.34 0.00 0.00 178.44 179.08 1n2m h ASN 32 N 0.54 0.62 -0.42 1.25 2.35 -1.75 0.47 115.58 118.64 1n2m h ASN 32 Ca 0.09 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.46 1n2m h ASN 32 Cb 0.63 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1n2m h ASN 32 CO 0.04 0.92 -0.23 0.00 -1.65 0.00 0.00 177.43 176.52 1n2m h ALA 33 N 1.12 0.59 -0.14 -0.83 0.00 -0.78 0.75 119.26 119.97 1n2m h ALA 33 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1n2m h ALA 33 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1n2m h ALA 33 CO 0.07 0.57 0.08 0.35 0.00 0.00 0.00 179.25 180.33 1n2m h PHE 34 N 0.71 0.19 -0.56 0.00 3.57 -0.93 0.32 116.94 120.24 1n2m h PHE 34 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1n2m h PHE 34 Cb 0.80 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1n2m h PHE 34 CO 0.06 0.18 0.32 0.22 -2.23 0.00 0.00 178.31 176.86 1n2m h ASP 35 N 0.15 0.51 -0.73 0.41 3.58 -0.78 -0.01 116.42 119.55 1n2m h ASP 35 Ca 0.05 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 1n2m h ASP 35 Cb 0.04 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1n2m h ASP 35 CO -0.01 0.35 0.31 1.23 -2.88 0.00 0.00 179.24 178.25 1n2m h GLY 36 N 0.63 1.18 1.03 -0.78 0.00 -0.33 -1.07 103.07 103.73 1n2m h GLY 36 Ca 0.23 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1n2m h GLY 36 CO -0.12 0.58 0.20 0.00 0.00 0.00 0.00 176.54 177.20 1n2m h ALA 37 N 1.27 0.87 -0.67 3.60 0.00 0.63 0.38 119.26 125.34 1n2m h ALA 37 Ca 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n2m h ALA 37 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1n2m h ALA 37 CO -0.02 0.56 0.26 -0.07 0.00 0.00 0.00 179.25 179.97 1n2m h LEU 38 N 0.97 0.93 -0.45 0.00 4.07 -0.56 -0.37 115.31 119.91 1n2m h LEU 38 Ca 0.21 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1n2m h LEU 38 Cb 0.31 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1n2m h LEU 38 CO -0.01 0.85 0.17 -0.07 -1.08 0.00 0.00 178.44 178.30 1n2m h LEU 39 N 0.95 0.63 -1.72 1.67 3.38 -0.88 -0.41 115.31 118.92 1n2m h LEU 39 Ca 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1n2m h LEU 39 Cb 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1n2m h LEU 39 CO -0.02 0.64 -0.16 -1.13 0.09 0.00 0.00 178.44 177.86 1n2m h ASN 40 N 0.58 0.00 1.73 -0.43 -0.73 -0.63 -1.40 115.58 114.71 1n2m h ASN 40 Ca 0.15 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 1n2m h ASN 40 Cb 0.22 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 1n2m h ASN 40 CO -0.01 0.16 -0.27 0.00 -0.37 0.00 0.00 177.43 176.95 1n2m h ALA 41 N 1.84 0.86 0.00 1.57 0.00 -0.48 -3.43 119.26 119.61 1n2m h ALA 41 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n2m h ALA 41 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n2m h ALA 41 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1n2m n GLY 42 N 1.14 0.71 1.41 0.00 0.00 -0.37 -4.41 105.19 103.66 1n2m n GLY 42 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1n2m n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n2m n ILE 43 N -1.67 1.96 0.56 -0.61 -5.35 -0.31 -4.81 119.36 109.14 1n2m n ILE 43 Ca 0.00 -3.27 0.13 0.00 -0.27 0.00 0.00 62.75 59.33 1n2m n ILE 43 Cb 0.00 -0.25 0.44 0.00 -1.74 0.00 0.00 39.64 38.10 1n2m n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n2m n GLY 44 N -0.73 -1.53 1.02 3.28 0.00 -0.83 -3.73 105.19 102.67 1n2m n GLY 44 Ca 0.25 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1n2m n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n2m n ASN 45 N -2.20 3.10 -4.29 1.61 3.02 -1.26 -4.80 115.26 110.44 1n2m n ASN 45 Ca 0.04 -3.42 -0.16 0.00 -0.03 0.00 0.00 54.58 51.02 1n2m n ASN 45 Cb 0.35 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 1n2m n ASN 45 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1n2m s VAL 46 N -3.06 1.33 -0.33 2.41 -7.23 -1.24 -0.72 120.40 111.56 1n2m s VAL 46 Ca 0.43 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.29 1n2m s VAL 46 Cb 0.38 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 1n2m s VAL 46 CO 0.04 -0.65 0.67 0.20 -0.31 0.00 0.00 175.10 175.05 1n2m s ASN 47 N -3.23 6.51 -0.27 4.85 0.01 0.19 -4.85 114.94 118.15 1n2m s ASN 47 Ca 0.20 0.38 -0.26 0.00 -0.71 0.00 0.00 52.86 52.46 1n2m s ASN 47 Cb 0.02 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1n2m s ASN 47 CO 0.03 -0.56 0.91 -0.76 -1.51 0.00 0.00 177.10 175.21 1n2m s LEU 48 N 2.74 4.06 -0.43 0.60 1.43 -1.26 0.14 118.68 125.95 1n2m s LEU 48 Ca 0.27 1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 54.24 1n2m s LEU 48 Cb -0.14 -3.29 0.05 0.00 0.03 0.00 0.00 46.19 42.84 1n2m s LEU 48 CO 0.13 -0.64 0.30 -0.63 0.23 0.00 0.00 176.35 175.74 1n2m s ILE 49 N 3.10 4.86 0.14 -0.59 -1.09 0.26 -4.92 121.20 122.96 1n2m s ILE 49 Ca 0.38 -1.02 -0.31 0.00 -2.23 0.00 0.00 60.65 57.46 1n2m s ILE 49 Cb -0.14 -3.84 -0.09 0.00 -1.58 0.00 0.00 42.46 36.81 1n2m s ILE 49 CO 0.10 -0.44 1.54 -0.60 -1.23 0.00 0.00 174.94 174.31 1n2m s ARG 50 N 1.58 4.24 0.35 2.79 3.52 -1.26 -0.33 118.95 129.84 1n2m s ARG 50 Ca 0.03 2.29 0.09 0.00 -0.13 0.00 0.00 55.73 58.02 1n2m s ARG 50 Cb -0.22 -3.22 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1n2m s ARG 50 CO 0.06 -0.58 -0.03 0.96 -0.81 0.00 0.00 175.30 174.90 1n2m s ILE 51 N 1.29 2.38 0.00 4.11 -4.36 -0.59 -4.85 121.20 119.18 1n2m s ILE 51 Ca 0.69 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1n2m s ILE 51 Cb -0.42 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.54 1n2m s ILE 51 CO 0.31 -0.17 0.38 -1.54 0.24 0.00 0.00 174.94 174.16 1n2m n SER 52 N -0.90 0.00 -0.84 4.36 3.41 -1.26 -4.45 113.62 113.94 1n2m n SER 52 Ca -0.04 0.69 -0.02 0.00 -0.26 0.00 0.00 58.87 59.23 1n2m n SER 52 Cb 0.63 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1n2m n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n2m n ALA 53 N -1.98 0.18 -3.47 7.33 0.00 -1.26 -4.90 120.51 116.41 1n2m n ALA 53 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.91 1n2m n ALA 53 Cb 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.96 1n2m n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n2m s ILE 54 N 0.01 1.56 -0.30 0.00 -1.09 -1.26 -0.36 121.20 119.76 1n2m s ILE 54 Ca 0.00 -0.71 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 1n2m s ILE 54 Cb 0.02 -1.39 -0.02 0.00 -1.58 0.00 0.00 42.46 39.48 1n2m s ILE 54 CO -0.01 0.45 0.46 -0.32 -1.23 0.00 0.00 174.94 174.30 1n2m s MET 55 N 0.69 3.89 0.49 2.79 -2.45 -0.16 -4.94 119.30 119.62 1n2m s MET 55 Ca -0.13 0.05 -0.22 0.00 -1.25 0.00 0.00 55.69 54.14 1n2m s MET 55 Cb -0.16 -3.71 -0.09 0.00 1.25 0.00 0.00 34.83 32.12 1n2m s MET 55 CO 0.03 -0.43 0.96 -2.30 1.05 0.00 0.00 175.02 174.33 1n2m n PRO 56 N 5.53 1.16 -1.64 4.11 -0.02 -1.26 -0.27 135.00 142.61 1n2m n PRO 56 Ca -0.06 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1n2m n PRO 56 Cb 0.50 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1n2m n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n2m n PRO 57 N -0.23 1.53 -0.93 0.52 -0.02 -1.26 -1.60 135.00 133.02 1n2m n PRO 57 Ca 0.11 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1n2m n PRO 57 Cb 0.42 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1n2m n PRO 57 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1n2m n GLU 58 N 0.11 -1.25 -1.99 -0.52 4.07 -1.22 -4.97 120.64 114.87 1n2m n GLU 58 Ca 0.09 0.31 -0.33 0.00 -0.06 0.00 0.00 57.16 57.17 1n2m n GLU 58 Cb 0.39 -4.44 0.02 0.00 -0.06 0.00 0.00 31.44 27.35 1n2m n GLU 58 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n2m s ALA 59 N -1.32 2.67 -0.04 4.31 0.00 -0.63 -4.97 121.76 121.79 1n2m s ALA 59 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1n2m s ALA 59 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1n2m s ALA 59 CO 0.00 -0.91 -0.18 -2.00 0.00 0.00 0.00 175.76 172.67 1n2m s GLU 60 N -4.03 2.40 -0.19 0.00 2.12 -0.20 -4.93 118.70 113.86 1n2m s GLU 60 Ca 0.65 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.93 1n2m s GLU 60 Cb -0.17 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1n2m s GLU 60 CO 0.37 0.60 1.08 0.42 -0.54 0.00 0.00 175.26 177.20 1n2m s ILE 61 N -0.69 4.60 0.10 -3.70 1.01 -1.26 -0.79 121.20 120.47 1n2m s ILE 61 Ca 0.11 1.93 0.01 0.00 0.00 0.00 0.00 60.65 62.69 1n2m s ILE 61 Cb -0.10 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1n2m s ILE 61 CO 0.00 -0.14 -0.04 0.68 0.00 0.00 0.00 174.94 175.44 1n2m s VAL 62 N 3.05 0.53 0.70 2.92 -7.23 0.11 -4.91 120.40 115.56 1n2m s VAL 62 Ca 0.47 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 1n2m s VAL 62 Cb -0.17 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.06 1n2m s VAL 62 CO 0.10 -0.82 1.23 -2.84 -0.31 0.00 0.00 175.10 172.46 1n2m s PRO 63 N -3.88 2.29 -0.02 4.82 0.02 -1.26 -4.14 135.00 132.83 1n2m s PRO 63 Ca 0.13 1.84 -0.36 0.00 0.02 0.00 0.00 61.00 62.63 1n2m s PRO 63 Cb 0.06 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.60 1n2m s PRO 63 CO -0.04 -1.74 1.66 -0.11 -0.33 0.00 0.00 177.00 176.44 1n2m n LEU 64 N -2.44 2.79 -4.80 -5.54 7.94 -1.26 -4.90 117.00 108.79 1n2m n LEU 64 Ca 0.14 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.80 1n2m n LEU 64 Cb 0.50 -1.31 0.14 0.00 0.53 0.00 0.00 43.42 43.28 1n2m n LEU 64 CO 0.47 -0.39 0.73 -2.84 -1.11 0.00 0.00 177.39 174.25 1n2m s PRO 65 N 2.33 1.08 -0.64 1.96 0.02 -1.26 -4.94 135.00 133.56 1n2m s PRO 65 Ca 0.88 0.21 -0.28 0.00 0.02 0.00 0.00 61.00 61.83 1n2m s PRO 65 Cb -0.81 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 31.90 1n2m s PRO 65 CO 0.49 -2.22 1.22 0.21 -0.33 0.00 0.00 177.00 176.38 1n2m s LYS 66 N -5.36 3.39 -0.02 5.54 2.20 -1.26 -4.99 119.74 119.25 1n2m s LYS 66 Ca 0.65 0.07 -0.21 0.00 -0.36 0.00 0.00 55.97 56.11 1n2m s LYS 66 Cb -0.13 -4.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.06 1n2m s LYS 66 CO 0.53 -1.86 0.61 -0.51 -0.36 0.00 0.00 175.35 173.76 1n2m s LEU 67 N 5.24 4.39 0.27 5.43 1.43 -1.26 -5.04 118.68 129.14 1n2m s LEU 67 Ca 0.40 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 1n2m s LEU 67 Cb -0.08 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 43.11 1n2m s LEU 67 CO 0.22 0.06 1.35 -2.84 0.23 0.00 0.00 176.35 175.36 1n2m s PRO 68 N 0.04 4.34 0.33 1.29 0.02 -1.26 -4.92 135.00 134.84 1n2m s PRO 68 Ca 0.32 2.20 -0.29 0.00 0.02 0.00 0.00 61.00 63.25 1n2m s PRO 68 Cb -0.18 -3.12 -0.12 0.00 0.02 0.00 0.00 34.50 31.11 1n2m s PRO 68 CO 0.17 -0.28 1.50 -1.33 -0.33 0.00 0.00 177.00 176.72 1n2m n MET 69 N 1.83 2.56 -0.06 5.54 2.81 -1.26 -1.73 117.12 126.81 1n2m n MET 69 Ca 0.04 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 1n2m n MET 69 Cb 0.41 -2.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 1n2m n MET 69 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n2m n GLY 70 N 1.31 1.52 3.65 3.03 0.00 0.10 -4.97 105.19 109.82 1n2m n GLY 70 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1n2m n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2m n ALA 71 N -0.86 0.66 -2.88 4.61 0.00 -0.70 -4.09 120.51 117.25 1n2m n ALA 71 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 1n2m n ALA 71 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 1n2m n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n2m s LEU 72 N -0.63 4.74 -0.31 0.00 1.43 -1.26 0.57 118.68 123.23 1n2m s LEU 72 Ca 0.59 -1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 51.82 1n2m s LEU 72 Cb -0.59 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1n2m s LEU 72 CO 0.60 -1.20 0.41 -0.69 0.23 0.00 0.00 176.35 175.70 1n2m s VAL 73 N 3.25 5.13 -0.07 -1.59 1.01 0.12 -4.89 120.40 123.36 1n2m s VAL 73 Ca 0.31 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1n2m s VAL 73 Cb -0.08 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1n2m s VAL 73 CO -0.04 -0.01 1.59 -2.84 0.00 0.00 0.00 175.10 173.80 1n2m s PRO 74 N 2.15 4.18 -0.03 2.72 0.02 -1.25 -0.57 135.00 142.22 1n2m s PRO 74 Ca 0.15 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1n2m s PRO 74 Cb -0.16 -3.95 0.02 0.00 0.02 0.00 0.00 34.50 30.43 1n2m s PRO 74 CO 0.11 -0.83 -0.01 0.99 -0.33 0.00 0.00 177.00 176.93 1n2m s THR 75 N 3.97 0.28 -0.17 0.99 2.01 0.56 -0.66 115.64 122.61 1n2m s THR 75 Ca 0.70 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 62.55 1n2m s THR 75 Cb -0.31 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1n2m s THR 75 CO 0.27 0.16 0.43 0.00 -0.69 0.00 0.00 174.62 174.79 1n2m s ALA 76 N 0.92 3.53 0.16 7.40 0.00 -0.48 -1.54 121.76 131.75 1n2m s ALA 76 Ca -0.10 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 1n2m s ALA 76 Cb -0.13 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.37 1n2m s ALA 76 CO -0.01 -0.17 0.38 1.52 0.00 0.00 0.00 175.76 177.48 1n2m s TYR 77 N 1.02 0.10 0.00 0.00 -0.85 -1.26 -0.17 117.35 116.18 1n2m s TYR 77 Ca 0.22 -0.46 -0.03 0.00 -0.52 0.00 0.00 57.07 56.28 1n2m s TYR 77 Cb -0.15 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.34 1n2m s TYR 77 CO 0.08 -0.77 0.06 0.20 -1.52 0.00 0.00 175.55 173.60 1n2m s GLY 78 N -2.90 0.09 0.07 5.49 0.00 -0.27 -4.97 107.32 104.84 1n2m s GLY 78 Ca 0.11 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.43 1n2m s GLY 78 CO -0.04 -0.31 0.40 -2.52 0.00 0.00 0.00 173.10 170.63 1n2m s TYR 79 N -1.08 -0.24 -0.02 1.90 -0.85 -1.26 -1.39 117.35 114.42 1n2m s TYR 79 Ca -0.12 0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1n2m s TYR 79 Cb -0.07 0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.51 1n2m s TYR 79 CO 0.00 -0.61 -0.00 -1.50 -1.52 0.00 0.00 175.55 171.92 1n2m s ILE 80 N -2.92 0.16 -0.03 -3.49 2.07 -0.17 -4.94 121.20 111.88 1n2m s ILE 80 Ca -0.02 0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 1n2m s ILE 80 Cb 0.00 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 1n2m s ILE 80 CO -0.06 0.11 -0.25 -0.63 -1.91 0.00 0.00 174.94 172.20 1n2m s ILE 81 N 0.65 2.07 -0.06 2.00 1.01 -1.26 -0.58 121.20 125.03 1n2m s ILE 81 Ca -0.06 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1n2m s ILE 81 Cb -0.09 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1n2m s ILE 81 CO -0.01 0.58 0.16 -0.55 0.00 0.00 0.00 174.94 175.12 1n2m s SER 82 N -0.44 -0.17 -0.06 3.58 0.15 -0.07 -5.01 113.70 111.69 1n2m s SER 82 Ca 0.05 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.16 1n2m s SER 82 Cb -0.11 0.32 0.42 0.00 -1.71 0.00 0.00 66.02 64.94 1n2m s SER 82 CO 0.01 -0.06 1.35 -0.90 1.20 0.00 0.00 173.24 174.84 1n2m n ASP 83 N 3.07 3.41 -4.55 5.45 5.68 -1.26 -0.93 116.55 127.41 1n2m n ASP 83 Ca -0.13 -2.31 -0.43 0.00 -0.50 0.00 0.00 54.79 51.42 1n2m n ASP 83 Cb 0.58 -0.36 -0.04 0.00 -1.14 0.00 0.00 41.12 40.17 1n2m n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1n2m s VAL 84 N -1.56 4.40 0.13 2.12 1.01 -1.26 -4.74 120.40 120.51 1n2m s VAL 84 Ca 0.32 0.56 -0.34 0.00 0.00 0.00 0.00 61.98 62.52 1n2m s VAL 84 Cb 0.20 -4.50 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 1n2m s VAL 84 CO 0.16 -0.99 1.60 -2.65 0.00 0.00 0.00 175.10 173.21 1n2m n PRO 85 N 7.38 2.09 0.00 2.72 -0.02 -1.26 -1.82 135.00 144.09 1n2m n PRO 85 Ca 0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1n2m n PRO 85 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1n2m n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2m n GLY 86 N 3.47 2.99 3.74 -1.23 0.00 0.25 -4.99 105.19 109.42 1n2m n GLY 86 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1n2m n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n2m s GLU 87 N -0.36 4.30 -0.22 1.61 2.12 -0.76 -4.60 118.70 120.79 1n2m s GLU 87 Ca 0.00 2.22 -0.19 0.00 0.36 0.00 0.00 54.97 57.36 1n2m s GLU 87 Cb 0.00 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1n2m s GLU 87 CO 0.00 -0.41 0.53 0.99 -0.54 0.00 0.00 175.26 175.84 1n2m s THR 88 N 0.34 5.09 0.06 -1.70 2.01 -1.26 -1.07 115.64 119.10 1n2m s THR 88 Ca 0.61 0.96 0.09 0.00 0.31 0.00 0.00 61.69 63.66 1n2m s THR 88 Cb -0.40 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1n2m s THR 88 CO 0.38 0.15 -0.24 0.27 -0.69 0.00 0.00 174.62 174.49 1n2m s ILE 89 N 1.84 1.97 0.08 1.82 -4.36 0.12 -3.08 121.20 119.59 1n2m s ILE 89 Ca 0.24 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 1n2m s ILE 89 Cb -0.15 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1n2m s ILE 89 CO 0.09 0.26 -0.06 -0.44 0.24 0.00 0.00 174.94 175.04 1n2m s SER 90 N -1.33 0.99 -0.04 4.36 0.01 -0.36 0.07 113.70 117.40 1n2m s SER 90 Ca 0.10 -0.95 -0.04 0.00 1.31 0.00 0.00 55.95 56.37 1n2m s SER 90 Cb -0.10 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1n2m s SER 90 CO 0.02 -0.46 0.11 0.00 0.41 0.00 0.00 173.24 173.33 1n2m s ALA 91 N -3.40 -0.27 0.03 1.44 0.00 -0.58 -1.78 121.76 117.20 1n2m s ALA 91 Ca 0.08 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 1n2m s ALA 91 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1n2m s ALA 91 CO -0.05 -0.06 0.09 0.00 0.00 0.00 0.00 175.76 175.74 1n2m s ALA 92 N -0.03 -0.11 -0.00 0.00 0.00 0.13 -1.02 121.76 120.73 1n2m s ALA 92 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1n2m s ALA 92 Cb -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1n2m s ALA 92 CO 0.00 -0.28 -0.06 -1.50 0.00 0.00 0.00 175.76 173.93 1n2m s ILE 93 N -2.20 0.47 0.07 0.00 1.10 -0.43 -1.05 121.20 119.16 1n2m s ILE 93 Ca -0.08 -0.26 0.02 0.00 -0.51 0.00 0.00 60.65 59.82 1n2m s ILE 93 Cb -0.04 -0.40 -0.03 0.00 0.15 0.00 0.00 42.46 42.14 1n2m s ILE 93 CO -0.03 0.13 -0.08 -0.94 -2.11 0.00 0.00 174.94 171.91 1n2m s SER 94 N -0.15 1.04 -0.09 4.50 1.04 0.16 -1.65 113.70 118.55 1n2m s SER 94 Ca 0.02 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.71 1n2m s SER 94 Cb -0.02 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1n2m s SER 94 CO -0.00 -0.29 0.00 -0.69 0.98 0.00 0.00 173.24 173.24 1n2m s VAL 95 N -2.22 0.42 -0.25 5.02 1.01 0.11 -0.80 120.40 123.70 1n2m s VAL 95 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1n2m s VAL 95 Cb -0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1n2m s VAL 95 CO -0.01 0.18 0.49 0.00 0.00 0.00 0.00 175.10 175.76 1n2m s ALA 96 N 1.95 3.58 -0.19 5.51 0.00 0.67 -1.02 121.76 132.25 1n2m s ALA 96 Ca 0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 1n2m s ALA 96 Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1n2m s ALA 96 CO -0.06 -0.69 0.31 0.42 0.00 0.00 0.00 175.76 175.74 1n2m s ILE 97 N 2.18 5.27 0.46 0.00 -1.09 0.59 -1.30 121.20 127.30 1n2m s ILE 97 Ca 0.21 0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 58.96 1n2m s ILE 97 Cb -0.16 -3.65 -0.09 0.00 -1.58 0.00 0.00 42.46 36.99 1n2m s ILE 97 CO 0.09 0.32 1.01 -2.16 -1.23 0.00 0.00 174.94 172.98 1n2m s PRO 98 N 0.93 3.97 0.07 2.79 0.04 -1.26 -0.25 135.00 141.30 1n2m s PRO 98 Ca 0.16 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 1n2m s PRO 98 Cb -0.14 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1n2m s PRO 98 CO 0.06 -0.28 1.48 -0.22 0.04 0.00 0.00 177.00 178.08 1n2m h LYS 99 N 1.79 0.38 -6.49 4.56 3.64 -1.36 -3.39 116.57 115.70 1n2m h LYS 99 Ca -0.49 -0.13 -0.56 0.00 -1.27 0.00 0.00 60.65 58.20 1n2m h LYS 99 Cb 1.21 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1n2m h LYS 99 CO 0.60 0.60 1.07 0.34 -2.27 0.00 0.00 179.45 179.80 1n2m s ASP 100 N -5.93 6.26 0.00 4.20 -1.08 -1.26 -4.89 116.67 113.97 1n2m s ASP 100 Ca -0.14 0.55 0.09 0.00 -0.52 0.00 0.00 52.55 52.53 1n2m s ASP 100 Cb 0.07 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.42 1n2m s ASP 100 CO 0.74 -1.55 1.23 0.29 0.52 0.00 0.00 175.17 176.40 1n2m n LYS 101 N 8.32 0.08 0.05 4.34 4.76 -1.26 -1.57 118.16 132.87 1n2m n LYS 101 Ca 0.14 0.26 0.13 0.00 -2.87 0.00 0.00 58.31 55.97 1n2m n LYS 101 Cb 0.49 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.52 1n2m n LYS 101 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1n2m n SER 102 N -1.38 0.55 -4.94 4.39 3.41 -1.26 -3.42 113.62 110.96 1n2m n SER 102 Ca 0.03 0.25 -0.24 0.00 -0.26 0.00 0.00 58.87 58.65 1n2m n SER 102 Cb 0.09 -0.21 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1n2m n SER 102 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n2m s LEU 103 N -3.82 3.33 0.45 1.04 1.43 -0.61 -4.83 118.68 115.67 1n2m s LEU 103 Ca 0.10 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1n2m s LEU 103 Cb 0.15 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 1n2m s LEU 103 CO 0.65 -1.03 0.67 0.00 0.23 0.00 0.00 176.35 176.87 1n2m s GLY 105 N -4.20 2.13 -0.21 0.00 0.00 0.62 -4.43 107.32 101.24 1n2m s GLY 105 Ca 0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 1n2m s GLY 105 CO 0.38 -0.16 0.01 -2.27 0.00 0.00 0.00 173.10 171.06 1n2m s LEU 106 N -3.15 3.28 -0.22 0.66 2.96 -0.42 -0.99 118.68 120.80 1n2m s LEU 106 Ca 0.48 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.11 1n2m s LEU 106 Cb -0.11 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1n2m s LEU 106 CO 0.24 0.05 0.09 -0.63 -1.32 0.00 0.00 176.35 174.79 1n2m s ILE 107 N 1.06 4.81 0.10 6.68 1.01 0.51 -0.24 121.20 135.13 1n2m s ILE 107 Ca 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.75 1n2m s ILE 107 Cb -0.14 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1n2m s ILE 107 CO 0.02 0.39 -0.24 -0.04 0.00 0.00 0.00 174.94 175.07 1n2m s MET 108 N 0.90 1.35 0.04 2.79 -1.94 0.02 -4.57 119.30 117.88 1n2m s MET 108 Ca 0.05 -1.21 0.04 0.00 -1.71 0.00 0.00 55.69 52.86 1n2m s MET 108 Cb -0.14 -1.69 -0.02 0.00 2.01 0.00 0.00 34.83 35.00 1n2m s MET 108 CO 0.03 0.41 -0.12 -1.83 -0.01 0.00 0.00 175.02 173.49 1n2m s GLU 109 N -1.81 0.80 -0.08 2.03 4.04 -1.26 -0.66 118.70 121.77 1n2m s GLU 109 Ca 0.10 -0.72 -0.10 0.00 0.04 0.00 0.00 54.97 54.29 1n2m s GLU 109 Cb -0.10 -0.77 0.02 0.00 0.02 0.00 0.00 34.13 33.31 1n2m s GLU 109 CO 0.04 0.18 0.27 -0.47 -1.84 0.00 0.00 175.26 173.45 1n2m s TYR 110 N -0.91 -0.25 -0.02 4.83 5.04 -0.22 -4.98 117.35 120.84 1n2m s TYR 110 Ca -0.01 0.58 -0.08 0.00 -2.44 0.00 0.00 57.07 55.13 1n2m s TYR 110 Cb -0.08 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.33 1n2m s TYR 110 CO 0.01 -0.20 0.17 -1.83 -1.34 0.00 0.00 175.55 172.36 1n2m s GLU 111 N -0.23 0.45 0.01 4.97 1.03 -1.26 0.19 118.70 123.85 1n2m s GLU 111 Ca -0.04 -0.22 -0.28 0.00 0.03 0.00 0.00 54.97 54.46 1n2m s GLU 111 Cb -0.03 0.19 0.10 0.00 -0.80 0.00 0.00 34.13 33.59 1n2m s GLU 111 CO 0.01 -0.10 1.25 0.20 -1.33 0.00 0.00 175.26 175.29 1n2m s GLY 112 N -1.04 -0.16 -1.26 -3.83 0.00 -0.73 -5.00 107.32 95.29 1n2m s GLY 112 Ca -0.11 0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 1n2m s GLY 112 CO 0.02 3.79 1.67 0.28 0.00 0.00 0.00 173.10 178.86 1n2m n LYS 113 N -0.77 3.39 -3.96 2.90 5.02 -1.26 -1.22 118.16 122.26 1n2m n LYS 113 Ca -0.00 -3.59 -0.12 0.00 -2.02 0.00 0.00 58.31 52.57 1n2m n LYS 113 Cb 0.60 -3.08 -0.01 0.00 -0.02 0.00 0.00 35.03 32.52 1n2m n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n2m s SER 115 N -3.18 4.35 0.15 0.00 1.04 -1.26 -3.53 113.70 111.27 1n2m s SER 115 Ca 0.24 0.88 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 1n2m s SER 115 Cb -0.03 -1.42 0.03 0.00 0.10 0.00 0.00 66.02 64.70 1n2m s SER 115 CO 0.17 -2.01 1.73 0.50 0.98 0.00 0.00 173.24 174.61 1n2m h LYS 116 N -1.13 0.71 -0.47 4.02 3.64 -1.92 -1.67 116.57 119.76 1n2m h LYS 116 Ca -0.47 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1n2m h LYS 116 Cb 1.32 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1n2m h LYS 116 CO 0.65 0.61 0.26 -0.22 -2.27 0.00 0.00 179.45 178.47 1n2m h LYS 117 N 0.65 0.65 -0.41 1.90 3.64 -1.97 -1.16 116.57 119.87 1n2m h LYS 117 Ca 0.17 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1n2m h LYS 117 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1n2m h LYS 117 CO -0.02 0.51 -0.32 0.93 -2.27 0.00 0.00 179.45 178.29 1n2m h GLU 118 N 0.62 0.92 -0.62 1.90 4.39 -1.91 -1.03 114.58 118.85 1n2m h GLU 118 Ca 0.17 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 1n2m h GLU 118 Cb 0.05 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1n2m h GLU 118 CO -0.03 1.10 0.22 0.00 -1.16 0.00 0.00 179.01 179.14 1n2m h ALA 119 N 0.86 0.80 -0.31 3.43 0.00 -1.15 -0.80 119.26 122.09 1n2m h ALA 119 Ca 0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1n2m h ALA 119 Cb 0.89 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1n2m h ALA 119 CO 0.08 0.45 -0.37 1.49 0.00 0.00 0.00 179.25 180.90 1n2m h GLU 120 N 0.87 0.71 -0.25 0.00 4.81 -1.12 -1.13 114.58 118.47 1n2m h GLU 120 Ca 0.20 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1n2m h GLU 120 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1n2m h GLU 120 CO -0.01 0.96 0.15 -0.22 -0.73 0.00 0.00 179.01 179.16 1n2m h LYS 121 N 0.59 0.34 -0.25 1.92 3.64 -0.88 -1.59 116.57 120.33 1n2m h LYS 121 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1n2m h LYS 121 Cb 0.90 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1n2m h LYS 121 CO 0.08 0.27 0.13 1.15 -2.27 0.00 0.00 179.45 178.82 1n2m h THR 122 N 0.31 1.13 -0.37 1.00 2.02 -0.99 -1.96 112.91 114.05 1n2m h THR 122 Ca 0.09 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1n2m h THR 122 Cb 0.02 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1n2m h THR 122 CO -0.02 0.13 -0.03 1.62 0.37 0.00 0.00 175.52 177.60 1n2m h VAL 123 N 0.29 1.22 -0.35 3.16 3.04 -1.11 -0.15 116.25 122.36 1n2m h VAL 123 Ca 0.09 -0.90 -0.07 0.00 -1.01 0.00 0.00 66.70 64.81 1n2m h VAL 123 Cb 0.09 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1n2m h VAL 123 CO -0.01 0.31 -0.06 0.03 -1.01 0.00 0.00 177.57 176.83 1n2m h ARG 124 N 0.56 0.65 -0.70 4.17 3.08 -1.10 -1.99 114.38 119.06 1n2m h ARG 124 Ca 0.11 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1n2m h ARG 124 Cb 0.40 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1n2m h ARG 124 CO 0.02 0.81 0.26 0.93 -1.07 0.00 0.00 179.97 180.92 1n2m h GLU 125 N 0.45 1.04 -0.83 0.04 5.08 -0.93 -1.74 114.58 117.68 1n2m h GLU 125 Ca 0.09 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1n2m h GLU 125 Cb 0.55 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1n2m h GLU 125 CO 0.03 0.85 0.41 0.52 -1.00 0.00 0.00 179.01 179.82 1n2m h MET 126 N 1.01 1.19 -0.52 2.33 2.86 -0.80 0.43 114.93 121.42 1n2m h MET 126 Ca 0.23 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1n2m h MET 126 Cb 0.22 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1n2m h MET 126 CO -0.02 0.90 0.01 0.00 1.06 0.00 0.00 176.91 178.87 1n2m h ALA 127 N 1.27 0.70 -0.40 6.32 0.00 -0.96 -2.23 119.26 123.95 1n2m h ALA 127 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1n2m h ALA 127 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n2m h ALA 127 CO -0.04 0.51 0.19 -0.22 0.00 0.00 0.00 179.25 179.70 1n2m h LYS 128 N 0.79 0.58 -0.98 0.00 3.64 -0.75 -2.47 116.57 117.39 1n2m h LYS 128 Ca 0.15 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1n2m h LYS 128 Cb 0.52 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 1n2m h LYS 128 CO 0.03 0.51 0.64 0.82 -2.27 0.00 0.00 179.45 179.17 1n2m h ILE 129 N 0.51 1.08 -0.59 2.00 2.04 -0.81 -0.71 117.51 121.03 1n2m h ILE 129 Ca 0.14 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1n2m h ILE 129 Cb 0.12 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 1n2m h ILE 129 CO -0.02 0.21 0.26 1.23 0.00 0.00 0.00 178.15 179.83 1n2m h GLY 130 N 1.14 0.91 1.52 5.37 0.00 -0.95 0.06 103.07 111.11 1n2m h GLY 130 Ca 0.43 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1n2m h GLY 130 CO -0.17 0.42 -0.64 0.74 0.00 0.00 0.00 176.54 176.89 1n2m h PHE 131 N 0.84 0.63 -0.48 5.60 -1.00 -0.87 -2.61 116.94 119.06 1n2m h PHE 131 Ca 0.20 -0.25 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 1n2m h PHE 131 Cb 0.13 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1n2m h PHE 131 CO 0.01 1.00 0.14 0.93 -1.61 0.00 0.00 178.31 178.77 1n2m h GLU 132 N 0.36 0.76 -0.51 1.51 5.08 -0.62 0.39 114.58 121.55 1n2m h GLU 132 Ca -0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1n2m h GLU 132 Cb 1.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1n2m h GLU 132 CO 0.12 0.73 0.29 0.52 -1.00 0.00 0.00 179.01 179.66 1n2m h MET 133 N 0.65 0.70 0.00 2.33 2.86 -0.94 -1.65 114.93 118.88 1n2m h MET 133 Ca 0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1n2m h MET 133 Cb 0.30 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1n2m h MET 133 CO -0.00 0.51 -0.58 0.00 1.06 0.00 0.00 176.91 177.90 1n2m h ARG 134 N 0.71 0.00 -1.62 1.72 3.08 -1.09 -3.48 114.38 113.70 1n2m h ARG 134 Ca 0.18 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 1n2m h ARG 134 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1n2m h ARG 134 CO -0.03 0.00 -0.19 0.41 -1.07 0.00 0.00 179.97 179.09 1n2m n GLY 135 N 1.22 0.26 3.86 0.04 0.00 0.12 -5.03 105.19 105.65 1n2m n GLY 135 Ca 0.02 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1n2m n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n2m s TRP 136 N -2.66 3.45 0.21 1.61 0.51 0.01 -5.01 118.94 117.06 1n2m s TRP 136 Ca 0.08 0.30 -0.30 0.00 -2.12 0.00 0.00 56.10 54.06 1n2m s TRP 136 Cb -0.03 -1.79 -0.08 0.00 -0.81 0.00 0.00 33.47 30.75 1n2m s TRP 136 CO 0.10 0.61 1.03 -1.21 -0.51 0.00 0.00 176.95 176.97 1n2m s GLU 137 N -1.88 4.70 -0.15 4.98 2.02 -1.26 -4.62 118.70 122.48 1n2m s GLU 137 Ca 0.26 1.63 -0.13 0.00 0.02 0.00 0.00 54.97 56.75 1n2m s GLU 137 Cb -0.12 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 1n2m s GLU 137 CO 0.17 0.25 0.26 -1.17 0.02 0.00 0.00 175.26 174.79 1n2m s LEU 138 N -0.78 4.27 -0.14 1.80 2.96 -1.26 -1.08 118.68 124.45 1n2m s LEU 138 Ca 0.45 0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 54.76 1n2m s LEU 138 Cb -0.28 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 1n2m s LEU 138 CO 0.35 0.16 -0.04 -0.78 -1.32 0.00 0.00 176.35 174.72 1n2m h ASP 139 N 6.33 0.00 -5.27 3.68 1.82 -0.83 -3.41 116.42 118.74 1n2m h ASP 139 Ca -0.43 -0.11 0.18 0.00 -0.39 0.00 0.00 57.03 56.27 1n2m h ASP 139 Cb 1.17 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.09 1n2m h ASP 139 CO 0.73 0.81 0.52 0.00 -1.61 0.00 0.00 179.24 179.68 1n2m s ARG 140 N -2.10 1.07 -0.12 0.28 1.70 -1.14 -5.00 118.95 113.64 1n2m s ARG 140 Ca -0.13 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 1n2m s ARG 140 Cb 0.02 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1n2m s ARG 140 CO 0.24 -0.49 -0.15 0.42 -1.08 0.00 0.00 175.30 174.25 1n2m s ILE 141 N -3.18 1.49 -0.07 4.99 1.01 -1.26 -0.30 121.20 123.87 1n2m s ILE 141 Ca 0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1n2m s ILE 141 Cb -0.01 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1n2m s ILE 141 CO 0.00 0.44 -0.01 -1.61 0.00 0.00 0.00 174.94 173.76 1n2m s GLU 142 N 1.16 2.91 0.15 2.79 2.02 -0.19 -4.94 118.70 122.59 1n2m s GLU 142 Ca -0.03 -0.46 -0.16 0.00 0.02 0.00 0.00 54.97 54.34 1n2m s GLU 142 Cb -0.14 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.38 1n2m s GLU 142 CO -0.04 0.69 0.43 -1.54 0.02 0.00 0.00 175.26 174.82 1n2m s SER 143 N -0.92 -0.24 0.07 -0.19 1.04 -1.26 0.09 113.70 112.29 1n2m s SER 143 Ca 0.14 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 1n2m s SER 143 Cb -0.11 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1n2m s SER 143 CO 0.03 -0.91 0.21 0.27 0.98 0.00 0.00 173.24 173.82 1n2m s ILE 144 N -3.83 0.12 0.13 -1.02 -4.36 -0.66 -5.01 121.20 106.57 1n2m s ILE 144 Ca 0.05 -1.01 -0.10 0.00 -0.26 0.00 0.00 60.65 59.33 1n2m s ILE 144 Cb 0.01 -1.14 0.00 0.00 1.25 0.00 0.00 42.46 42.59 1n2m s ILE 144 CO -0.09 -0.56 0.27 0.00 0.24 0.00 0.00 174.94 174.80 1n2m s ALA 145 N -3.26 -0.28 -0.09 2.27 0.00 -1.26 -1.31 121.76 117.82 1n2m s ALA 145 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1n2m s ALA 145 Cb 0.02 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1n2m s ALA 145 CO -0.08 -0.59 0.27 0.54 0.00 0.00 0.00 175.76 175.90 1n2m s VAL 146 N -3.89 0.01 0.23 0.00 0.11 -0.19 -4.98 120.40 111.69 1n2m s VAL 146 Ca 0.09 -0.06 0.12 0.00 -2.93 0.00 0.00 61.98 59.20 1n2m s VAL 146 Cb 0.04 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1n2m s VAL 146 CO -0.07 -0.03 -0.21 -1.83 -3.33 0.00 0.00 175.10 169.63 1n2m s GLU 147 N -0.01 1.63 -0.10 1.54 -1.05 -1.26 -1.53 118.70 117.92 1n2m s GLU 147 Ca -0.01 -1.63 -0.05 0.00 -0.15 0.00 0.00 54.97 53.12 1n2m s GLU 147 Cb -0.02 -1.83 0.05 0.00 -0.44 0.00 0.00 34.13 31.89 1n2m s GLU 147 CO 0.01 0.37 0.24 -1.58 0.95 0.00 0.00 175.26 175.24 1n2m s HIS 148 N -2.08 -0.32 -0.42 4.83 2.46 0.11 -4.90 115.29 114.97 1n2m s HIS 148 Ca 0.25 0.78 -0.17 0.00 0.47 0.00 0.00 55.06 56.39 1n2m s HIS 148 Cb -0.07 0.04 0.02 0.00 -0.13 0.00 0.00 32.58 32.44 1n2m s HIS 148 CO 0.13 -0.24 0.44 0.99 -2.47 0.00 0.00 174.74 173.59 1n2m s THR 149 N 1.31 5.09 0.13 0.89 2.01 -1.26 -0.71 115.64 123.10 1n2m s THR 149 Ca -0.09 -0.36 -0.32 0.00 0.31 0.00 0.00 61.69 61.24 1n2m s THR 149 Cb -0.11 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.25 1n2m s THR 149 CO -0.08 -0.43 1.80 0.52 -0.69 0.00 0.00 174.62 175.74 1n2m n VAL 150 N 5.44 0.28 -0.11 3.82 0.31 -0.23 -4.85 118.33 122.98 1n2m n VAL 150 Ca -0.07 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 63.99 1n2m n VAL 150 Cb 0.47 -2.04 -0.10 0.00 -0.91 0.00 0.00 33.84 31.27 1n2m n VAL 150 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n2m n GLU 151 N 5.21 0.56 0.00 5.55 1.02 -1.26 0.88 120.64 132.61 1n2m n GLU 151 Ca 0.18 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1n2m n GLU 151 Cb 0.36 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1n2m n GLU 151 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n2m n LYS 152 N -4.39 0.00 -3.28 3.49 3.00 -1.26 -4.52 118.16 111.20 1n2m n LYS 152 Ca -0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 57.90 1n2m n LYS 152 Cb 0.70 -0.13 -0.05 0.00 0.00 0.00 0.00 35.03 35.54 1n2m n LYS 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1n2m s LEU 153 N -5.16 -0.91 0.29 3.14 0.20 -1.26 -4.37 118.68 110.61 1n2m s LEU 153 Ca 0.00 0.29 0.09 0.00 0.69 0.00 0.00 54.13 55.20 1n2m s LEU 153 Cb 0.00 1.43 -0.06 0.00 -0.43 0.00 0.00 46.19 47.14 1n2m s LEU 153 CO 0.00 -0.30 -0.12 -0.83 -0.29 0.00 0.00 176.35 174.81 1n2m s GLY 154 N 2.64 1.93 -0.02 7.98 0.00 -0.11 -0.80 107.32 118.95 1n2m s GLY 154 Ca 0.14 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1n2m s GLY 154 CO -0.20 -1.93 0.00 0.00 0.00 0.00 0.00 173.10 170.97 1n2m s ALA 156 N 0.74 2.88 -0.00 0.00 0.00 0.26 -1.78 121.76 123.85 1n2m s ALA 156 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1n2m s ALA 156 Cb -0.10 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1n2m s ALA 156 CO -0.02 0.38 -0.03 0.12 0.00 0.00 0.00 175.76 176.21 1n2m s PHE 157 N -0.14 0.28 -0.02 0.00 5.36 0.80 -0.99 117.98 123.26 1n2m s PHE 157 Ca 0.01 -0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 55.92 1n2m s PHE 157 Cb -0.13 -0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.36 1n2m s PHE 157 CO 0.03 -0.01 0.05 0.00 -1.46 0.00 0.00 175.22 173.82 1n2m s ALA 158 N 0.00 -0.07 0.13 11.12 0.00 -0.49 -0.71 121.76 131.74 1n2m s ALA 158 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 1n2m s ALA 158 Cb -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1n2m s ALA 158 CO -0.00 -0.05 0.31 0.00 0.00 0.00 0.00 175.76 176.01 1n2m s ALA 159 N 0.40 -0.47 -0.31 0.00 0.00 0.48 -1.12 121.76 120.74 1n2m s ALA 159 Ca -0.03 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1n2m s ALA 159 Cb -0.05 0.67 0.09 0.00 0.00 0.00 0.00 23.12 23.84 1n2m s ALA 159 CO -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 175.76 175.16 1n2m s ALA 160 N -3.87 2.44 -0.21 0.00 0.00 0.76 -0.88 121.76 120.00 1n2m s ALA 160 Ca 0.07 -2.10 -0.22 0.00 0.00 0.00 0.00 51.96 49.71 1n2m s ALA 160 Cb 0.03 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1n2m s ALA 160 CO -0.08 -1.56 0.68 0.00 0.00 0.00 0.00 175.76 174.79 1n2m s ALA 161 N 1.14 3.57 -0.07 0.00 0.00 0.28 -1.39 121.76 125.29 1n2m s ALA 161 Ca 0.06 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 1n2m s ALA 161 Cb -0.19 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1n2m s ALA 161 CO -0.11 -0.66 0.48 -0.51 0.00 0.00 0.00 175.76 174.96 1n2m s LEU 162 N 2.16 4.35 0.00 0.00 1.43 0.16 -0.61 118.68 126.18 1n2m s LEU 162 Ca 0.30 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1n2m s LEU 162 Cb -0.16 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1n2m s LEU 162 CO 0.10 0.10 0.00 1.87 0.23 0.00 0.00 176.35 178.65 1n2m n TRP 163 N 3.04 -0.19 -4.69 0.29 -0.00 -0.03 -3.96 117.44 111.89 1n2m n TRP 163 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.18 1n2m n TRP 163 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.67 1n2m n TRP 163 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1n2m s TYR 164 N -3.21 1.36 -2.00 5.87 2.02 -1.26 -1.25 117.35 118.88 1n2m s TYR 164 Ca 0.00 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1n2m s TYR 164 Cb 0.00 -0.88 0.32 0.00 -0.40 0.00 0.00 41.96 41.00 1n2m s TYR 164 CO 0.00 -0.04 0.79 1.63 -1.57 0.00 0.00 175.55 176.36