#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmp n ASN 2 N 0.00 0.66 0.04 6.43 3.02 -1.26 -4.67 115.26 119.48 1pmp n ASN 2 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1pmp n ASN 2 Cb 0.00 -0.19 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1pmp n ASN 2 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1pmp n LYS 3 N -3.13 0.00 0.08 3.52 0.00 -1.26 0.68 118.16 118.06 1pmp n LYS 3 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 58.31 58.28 1pmp n LYS 3 Cb 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 35.03 34.52 1pmp n LYS 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1pmp h PHE 4 N 0.00 0.51 -2.23 5.64 0.04 -1.98 -3.46 116.94 115.46 1pmp h PHE 4 Ca 0.01 -0.37 -0.59 0.00 2.80 0.00 0.00 57.97 59.82 1pmp h PHE 4 Cb 0.31 -0.02 0.05 0.00 2.20 0.00 0.00 35.95 38.49 1pmp h PHE 4 CO 0.00 1.37 0.82 1.28 -0.60 0.00 0.00 178.31 181.18 1pmp n LEU 5 N -3.50 3.09 0.00 1.54 4.77 3.17 -4.54 117.00 121.53 1pmp n LEU 5 Ca -0.14 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 1pmp n LEU 5 Cb 1.04 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1pmp n LEU 5 CO 0.52 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1pmp n GLY 6 N 3.49 0.89 3.48 -0.72 0.00 -0.55 -4.97 105.19 106.81 1pmp n GLY 6 Ca 0.18 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1pmp n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmp s THR 7 N -1.79 3.92 0.12 2.61 2.01 -1.26 -1.27 115.64 120.00 1pmp s THR 7 Ca 0.00 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 61.76 1pmp s THR 7 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1pmp s THR 7 CO 0.00 0.47 -0.25 0.26 -0.69 0.00 0.00 174.62 174.41 1pmp s TRP 8 N 0.62 2.15 -0.04 4.92 0.52 0.66 0.19 118.94 127.97 1pmp s TRP 8 Ca -0.02 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.77 1pmp s TRP 8 Cb -0.14 -1.16 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 1pmp s TRP 8 CO 0.02 0.30 -0.21 -1.59 0.02 0.00 0.00 176.95 175.50 1pmp s LYS 9 N -2.03 1.97 0.35 4.98 -2.85 0.12 -0.88 119.74 121.40 1pmp s LYS 9 Ca 0.12 -0.74 -0.29 0.00 -1.00 0.00 0.00 55.97 54.07 1pmp s LYS 9 Cb -0.10 -1.75 -0.11 0.00 -2.06 0.00 0.00 37.83 33.81 1pmp s LYS 9 CO 0.06 0.35 1.51 -1.17 0.10 0.00 0.00 175.35 176.19 1pmp s LEU 10 N -0.18 4.33 0.00 2.77 2.96 -0.62 -1.54 118.68 126.40 1pmp s LEU 10 Ca 0.00 3.00 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 1pmp s LEU 10 Cb -0.11 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1pmp s LEU 10 CO 0.02 -0.87 0.00 0.52 -1.32 0.00 0.00 176.35 174.70 1pmp n VAL 11 N 1.04 0.00 -3.98 1.68 0.31 0.23 -4.88 118.33 112.73 1pmp n VAL 11 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1pmp n VAL 11 Cb 0.39 -1.36 -0.14 0.00 -0.91 0.00 0.00 33.84 31.82 1pmp n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1pmp s SER 12 N -5.00 0.25 0.05 4.52 0.15 -1.06 -4.99 113.70 107.62 1pmp s SER 12 Ca 0.00 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.63 1pmp s SER 12 Cb 0.00 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1pmp s SER 12 CO 0.00 0.01 -0.12 -0.55 1.20 0.00 0.00 173.24 173.78 1pmp s SER 13 N -0.13 1.35 -0.12 5.45 0.15 -1.26 0.18 113.70 119.33 1pmp s SER 13 Ca -0.00 -0.54 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 1pmp s SER 13 Cb -0.01 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1pmp s SER 13 CO -0.00 -0.09 0.29 -0.70 1.20 0.00 0.00 173.24 173.94 1pmp s GLU 14 N -1.51 0.28 -1.34 5.44 2.12 -0.17 -4.91 118.70 118.59 1pmp s GLU 14 Ca -0.04 0.55 -0.07 0.00 0.36 0.00 0.00 54.97 55.78 1pmp s GLU 14 Cb -0.09 -0.03 0.04 0.00 0.26 0.00 0.00 34.13 34.31 1pmp s GLU 14 CO 0.01 -0.13 0.46 0.09 -0.54 0.00 0.00 175.26 175.15 1pmp n ASN 15 N 3.90 -4.49 0.08 -1.70 4.13 -1.26 -1.80 115.26 114.14 1pmp n ASN 15 Ca -0.22 -0.29 -0.06 0.00 1.68 0.00 0.00 54.58 55.69 1pmp n ASN 15 Cb 0.55 -3.69 -0.03 0.00 -1.54 0.00 0.00 39.78 35.07 1pmp n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1pmp h PHE 16 N -0.97 0.07 -0.68 3.10 3.57 -1.91 -2.82 116.94 117.30 1pmp h PHE 16 Ca -0.44 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.05 1pmp h PHE 16 Cb 1.30 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 1pmp h PHE 16 CO 0.63 0.92 0.42 0.22 -2.23 0.00 0.00 178.31 178.27 1pmp h ASP 17 N 0.02 0.68 1.55 0.41 3.58 -1.97 -1.00 116.42 119.69 1pmp h ASP 17 Ca -0.02 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1pmp h ASP 17 Cb 1.57 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 1pmp h ASP 17 CO 0.12 0.47 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.36 1pmp h GLU 18 N 0.82 0.00 -0.05 0.28 3.07 -1.96 0.10 114.58 116.84 1pmp h GLU 18 Ca 0.28 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1pmp h GLU 18 Cb 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1pmp h GLU 18 CO -0.12 0.26 -0.02 -0.92 -1.40 0.00 0.00 179.01 176.81 1pmp h TYR 19 N 0.00 0.12 0.31 4.33 3.20 -1.05 0.62 116.97 124.51 1pmp h TYR 19 Ca -0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1pmp h TYR 19 Cb 1.11 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1pmp h TYR 19 CO 0.00 0.49 -0.17 0.52 -1.64 0.00 0.00 178.16 177.36 1pmp h MET 20 N -0.29 -0.44 -0.62 1.82 2.86 -1.19 -1.28 114.93 115.80 1pmp h MET 20 Ca 0.01 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.79 1pmp h MET 20 Cb 0.46 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 32.10 1pmp h MET 20 CO 0.01 -0.29 -0.31 -0.22 1.06 0.00 0.00 176.91 177.15 1pmp h LYS 21 N -0.46 -0.13 0.00 1.72 3.64 -0.75 0.77 116.57 121.37 1pmp h LYS 21 Ca -0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pmp h LYS 21 Cb 0.36 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1pmp h LYS 21 CO 0.05 -0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.15 1pmp n ALA 22 N -3.16 1.42 0.08 5.00 0.00 0.20 -1.35 120.51 122.70 1pmp n ALA 22 Ca 0.05 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1pmp n ALA 22 Cb 0.36 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1pmp n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pmp n LEU 23 N -1.71 0.67 0.00 0.00 4.77 0.26 -4.95 117.00 116.04 1pmp n LEU 23 Ca 0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1pmp n LEU 23 Cb 0.12 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1pmp n LEU 23 CO 0.10 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1pmp n GLY 24 N 1.21 0.95 3.77 -0.72 0.00 -0.46 -5.09 105.19 104.86 1pmp n GLY 24 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1pmp n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pmp s VAL 25 N -2.00 2.37 0.18 1.61 1.01 -0.85 -4.99 120.40 117.74 1pmp s VAL 25 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 1pmp s VAL 25 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1pmp s VAL 25 CO 0.00 0.08 0.49 -0.83 0.00 0.00 0.00 175.10 174.84 1pmp s GLY 26 N -0.11 2.30 0.00 4.51 0.00 -1.26 -4.50 107.32 108.26 1pmp s GLY 26 Ca 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1pmp s GLY 26 CO 0.55 -0.17 0.00 1.04 0.00 0.00 0.00 173.10 174.52 1pmp n LEU 27 N 0.17 0.00 -0.01 0.66 4.77 -1.26 -1.67 117.00 119.67 1pmp n LEU 27 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1pmp n LEU 27 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1pmp n LEU 27 CO 0.45 0.00 0.50 0.00 -1.33 0.00 0.00 177.39 177.01 1pmp h ALA 28 N 0.00 -0.38 -0.61 -1.18 0.00 -2.00 0.68 119.26 115.76 1pmp h ALA 28 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1pmp h ALA 28 Cb 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1pmp h ALA 28 CO 0.00 -0.40 0.47 1.15 0.00 0.00 0.00 179.25 180.46 1pmp h THR 29 N -0.04 0.62 -0.06 0.00 2.02 -1.72 -1.92 112.91 111.81 1pmp h THR 29 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1pmp h THR 29 Cb 0.05 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1pmp h THR 29 CO -0.05 0.00 -0.49 0.03 0.37 0.00 0.00 175.52 175.39 1pmp h ARG 30 N 0.00 0.43 -0.56 6.66 3.08 -1.18 0.12 114.38 122.94 1pmp h ARG 30 Ca 0.29 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1pmp h ARG 30 Cb 1.22 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 1pmp h ARG 30 CO -0.00 1.03 0.37 1.57 -1.07 0.00 0.00 179.97 181.87 1pmp h LYS 31 N -0.03 0.70 -0.06 0.04 2.10 -0.07 0.71 116.57 119.95 1pmp h LYS 31 Ca -0.04 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.46 1pmp h LYS 31 Cb 1.16 -0.16 0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1pmp h LYS 31 CO 0.10 0.46 -0.36 -0.07 -2.00 0.00 0.00 179.45 177.58 1pmp h LEU 32 N 0.72 0.42 -0.65 7.07 3.38 -1.53 -2.85 115.31 121.87 1pmp h LEU 32 Ca 0.21 -0.67 0.12 0.00 0.09 0.00 0.00 57.88 57.63 1pmp h LEU 32 Cb -0.03 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.51 1pmp h LEU 32 CO -0.05 1.02 0.18 1.23 0.09 0.00 0.00 178.44 180.91 1pmp h GLY 33 N -0.15 0.89 1.08 0.83 0.00 0.25 -2.41 103.07 103.55 1pmp h GLY 33 Ca -0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 1pmp h GLY 33 CO 0.07 -0.11 -0.45 3.43 0.00 0.00 0.00 176.54 179.48 1pmp h ASN 34 N 0.32 0.90 0.00 0.19 2.35 -0.97 -3.28 115.58 115.09 1pmp h ASN 34 Ca 0.35 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1pmp h ASN 34 Cb 0.52 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1pmp h ASN 34 CO -0.40 1.24 0.00 0.18 -1.65 0.00 0.00 177.43 176.79 1pmp n LEU 35 N -4.10 0.00 -4.50 1.61 4.77 -0.92 -4.89 117.00 108.97 1pmp n LEU 35 Ca -0.04 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 1pmp n LEU 35 Cb 0.57 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1pmp n LEU 35 CO 0.48 0.00 -0.47 0.00 -1.33 0.00 0.00 177.39 176.07 1pmp s ALA 36 N -2.00 2.72 -0.72 -1.18 0.00 -1.15 -5.05 121.76 114.39 1pmp s ALA 36 Ca 0.07 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1pmp s ALA 36 Cb 0.03 -0.78 0.17 0.00 0.00 0.00 0.00 23.12 22.54 1pmp s ALA 36 CO 0.05 0.59 0.52 0.15 0.00 0.00 0.00 175.76 177.07 1pmp s LYS 37 N -1.75 2.55 0.89 0.00 1.02 -1.26 -5.05 119.74 116.14 1pmp s LYS 37 Ca 0.17 -3.30 -0.10 0.00 0.02 0.00 0.00 55.97 52.75 1pmp s LYS 37 Cb -0.11 -3.49 0.13 0.00 -0.52 0.00 0.00 37.83 33.84 1pmp s LYS 37 CO 0.08 -1.27 1.13 -2.14 -0.92 0.00 0.00 175.35 172.22 1pmp s PRO 38 N -1.38 1.21 -0.09 -1.68 0.02 -1.26 -4.70 135.00 127.11 1pmp s PRO 38 Ca 0.25 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.70 1pmp s PRO 38 Cb -0.06 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1pmp s PRO 38 CO -0.15 -2.45 -0.21 1.03 -0.33 0.00 0.00 177.00 174.89 1pmp s ARG 39 N -4.71 2.66 -0.05 5.54 0.52 -0.67 -1.59 118.95 120.65 1pmp s ARG 39 Ca 0.65 -0.76 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 1pmp s ARG 39 Cb -0.21 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 1pmp s ARG 39 CO 0.58 0.15 -0.16 0.08 0.02 0.00 0.00 175.30 175.97 1pmp s VAL 40 N 0.39 2.93 -0.31 3.52 1.01 -0.06 -1.26 120.40 126.62 1pmp s VAL 40 Ca -0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1pmp s VAL 40 Cb -0.17 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.17 1pmp s VAL 40 CO 0.07 0.59 0.09 -0.63 0.00 0.00 0.00 175.10 175.22 1pmp s ILE 41 N -0.65 0.92 -0.08 2.22 1.01 0.14 -0.24 121.20 124.52 1pmp s ILE 41 Ca 0.10 -1.40 -0.22 0.00 0.00 0.00 0.00 60.65 59.13 1pmp s ILE 41 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1pmp s ILE 41 CO 0.01 -0.65 0.65 -0.63 0.00 0.00 0.00 174.94 174.31 1pmp s ILE 42 N 1.60 5.08 0.01 2.92 1.01 -0.39 -2.16 121.20 129.27 1pmp s ILE 42 Ca 0.09 1.33 -0.07 0.00 0.00 0.00 0.00 60.65 62.00 1pmp s ILE 42 Cb -0.17 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1pmp s ILE 42 CO -0.24 0.27 0.13 -0.94 0.00 0.00 0.00 174.94 174.16 1pmp s SER 43 N 0.73 0.07 -0.12 3.58 1.04 0.80 -1.48 113.70 118.31 1pmp s SER 43 Ca 0.35 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1pmp s SER 43 Cb -0.17 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1pmp s SER 43 CO 0.16 -0.41 -0.15 -0.75 0.98 0.00 0.00 173.24 173.07 1pmp s LYS 44 N -1.70 2.26 -0.26 4.02 2.20 -1.26 0.59 119.74 125.59 1pmp s LYS 44 Ca -0.12 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 1pmp s LYS 44 Cb -0.06 -1.95 0.08 0.00 -1.51 0.00 0.00 37.83 34.38 1pmp s LYS 44 CO -0.00 -0.10 0.04 0.21 -0.36 0.00 0.00 175.35 175.14 1pmp s LYS 45 N 1.10 0.97 7.10 4.03 2.20 -0.54 -5.01 119.74 129.59 1pmp s LYS 45 Ca -0.04 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 1pmp s LYS 45 Cb -0.14 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1pmp s LYS 45 CO -0.04 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 1pmp n GLY 46 N 4.82 2.19 0.06 5.54 0.00 -1.26 -2.13 105.19 114.40 1pmp n GLY 46 Ca -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.71 1pmp n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pmp n ASP 47 N 9.62 1.97 -4.48 1.61 5.68 -1.26 -4.97 116.55 124.74 1pmp n ASP 47 Ca 0.00 -1.90 -0.36 0.00 -0.50 0.00 0.00 54.79 52.03 1pmp n ASP 47 Cb 0.00 -0.02 -0.12 0.00 -1.14 0.00 0.00 41.12 39.84 1pmp n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pmp s ILE 48 N -0.90 4.40 -0.08 2.12 1.01 -0.91 -4.41 121.20 122.43 1pmp s ILE 48 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1pmp s ILE 48 Cb 0.01 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1pmp s ILE 48 CO 0.01 0.36 0.13 -0.63 0.00 0.00 0.00 174.94 174.81 1pmp s ILE 49 N 1.41 5.32 -0.05 2.92 1.01 0.31 -1.46 121.20 130.65 1pmp s ILE 49 Ca 0.05 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.77 1pmp s ILE 49 Cb -0.15 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1pmp s ILE 49 CO 0.04 0.51 -0.23 -0.89 0.00 0.00 0.00 174.94 174.37 1pmp s THR 50 N -1.11 1.88 -0.18 2.92 2.01 0.20 -1.54 115.64 119.82 1pmp s THR 50 Ca 0.19 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1pmp s THR 50 Cb -0.12 -1.60 0.04 0.00 0.01 0.00 0.00 72.50 70.83 1pmp s THR 50 CO 0.09 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.82 1pmp s ILE 51 N -0.10 1.48 -0.15 1.82 1.01 -0.68 -0.14 121.20 124.44 1pmp s ILE 51 Ca -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1pmp s ILE 51 Cb -0.13 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1pmp s ILE 51 CO 0.03 0.22 -0.15 -0.60 0.00 0.00 0.00 174.94 174.45 1pmp s ARG 52 N 1.48 2.36 -0.27 2.79 3.52 -0.92 -1.81 118.95 126.10 1pmp s ARG 52 Ca 0.01 -0.59 -0.07 0.00 -0.13 0.00 0.00 55.73 54.95 1pmp s ARG 52 Cb -0.15 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 1pmp s ARG 52 CO -0.09 -0.21 0.06 0.99 -0.81 0.00 0.00 175.30 175.24 1pmp s THR 53 N 1.41 4.03 -0.08 4.11 2.01 0.17 -0.68 115.64 126.61 1pmp s THR 53 Ca 0.04 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1pmp s THR 53 Cb -0.13 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1pmp s THR 53 CO -0.10 0.22 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.27 1pmp s GLU 54 N 1.54 2.82 0.00 4.92 2.02 -0.39 -0.90 118.70 128.72 1pmp s GLU 54 Ca 0.04 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 1pmp s GLU 54 Cb -0.16 -2.40 0.07 0.00 0.10 0.00 0.00 34.13 31.74 1pmp s GLU 54 CO 0.02 0.41 0.65 -1.54 0.02 0.00 0.00 175.26 174.82 1pmp s SER 55 N -0.18 -0.62 0.26 -0.19 1.04 -1.03 -1.67 113.70 111.30 1pmp s SER 55 Ca -0.01 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.92 1pmp s SER 55 Cb -0.13 0.55 0.54 0.00 0.10 0.00 0.00 66.02 67.07 1pmp s SER 55 CO 0.03 -0.69 1.68 -0.65 0.98 0.00 0.00 173.24 174.59 1pmp h PRO 56 N 2.79 0.27 -0.09 4.02 0.11 -1.99 -2.37 132.00 134.73 1pmp h PRO 56 Ca -0.29 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.65 1pmp h PRO 56 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1pmp h PRO 56 CO 0.39 0.18 -0.63 0.74 -0.21 0.00 0.00 178.00 178.47 1pmp h PHE 57 N 0.28 0.41 -1.81 0.65 0.04 -1.98 -3.48 116.94 111.05 1pmp h PHE 57 Ca 0.46 -0.16 0.13 0.00 2.80 0.00 0.00 57.97 61.20 1pmp h PHE 57 Cb 0.82 -0.07 -0.19 0.00 2.20 0.00 0.00 35.95 38.71 1pmp h PHE 57 CO -0.25 0.86 0.60 0.21 -0.60 0.00 0.00 178.31 179.12 1pmp s LYS 58 N -3.76 0.60 0.31 1.51 2.20 -0.89 -5.17 119.74 114.54 1pmp s LYS 58 Ca -0.05 -0.09 0.11 0.00 -0.36 0.00 0.00 55.97 55.58 1pmp s LYS 58 Cb 0.12 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1pmp s LYS 58 CO 0.81 -0.24 -0.13 -0.80 -0.36 0.00 0.00 175.35 174.64 1pmp s ASN 59 N -1.86 3.76 -0.29 1.43 0.01 -1.26 -2.46 114.94 114.27 1pmp s ASN 59 Ca 0.04 -1.05 -0.15 0.00 -0.71 0.00 0.00 52.86 50.99 1pmp s ASN 59 Cb -0.01 -0.38 0.13 0.00 0.41 0.00 0.00 41.25 41.41 1pmp s ASN 59 CO -0.04 -0.07 0.86 -0.89 -1.51 0.00 0.00 177.10 175.44 1pmp s THR 60 N -2.53 -0.31 0.03 1.60 2.01 -0.07 -4.93 115.64 111.44 1pmp s THR 60 Ca 0.31 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1pmp s THR 60 Cb -0.02 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1pmp s THR 60 CO 0.16 0.00 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.36 1pmp s GLU 61 N 1.97 0.86 -0.07 4.92 2.02 -1.26 0.41 118.70 127.55 1pmp s GLU 61 Ca -0.07 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 1pmp s GLU 61 Cb -0.06 -0.84 0.03 0.00 0.10 0.00 0.00 34.13 33.36 1pmp s GLU 61 CO -0.17 0.21 0.18 0.96 0.02 0.00 0.00 175.26 176.46 1pmp s ILE 62 N -0.77 -0.02 -0.18 -1.63 -4.36 -0.75 -4.95 121.20 108.54 1pmp s ILE 62 Ca 0.01 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 1pmp s ILE 62 Cb -0.07 -0.28 0.04 0.00 1.25 0.00 0.00 42.46 43.40 1pmp s ILE 62 CO 0.01 0.03 -0.09 -0.44 0.24 0.00 0.00 174.94 174.69 1pmp s SER 63 N 0.62 3.05 0.24 4.36 0.01 -1.26 -1.68 113.70 119.05 1pmp s SER 63 Ca -0.04 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1pmp s SER 63 Cb -0.06 -1.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 1pmp s SER 63 CO -0.03 -0.14 0.11 0.72 0.41 0.00 0.00 173.24 174.31 1pmp s PHE 64 N 1.50 1.43 -0.13 2.43 -0.71 -0.59 -4.94 117.98 116.97 1pmp s PHE 64 Ca 0.01 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.67 1pmp s PHE 64 Cb -0.15 -0.79 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1pmp s PHE 64 CO -0.08 -0.44 -0.22 0.15 -1.34 0.00 0.00 175.22 173.28 1pmp s LYS 65 N -4.06 2.99 0.38 1.99 1.02 -1.26 -0.53 119.74 120.27 1pmp s LYS 65 Ca 0.38 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 55.26 1pmp s LYS 65 Cb 0.07 -2.39 -0.11 0.00 -0.52 0.00 0.00 37.83 34.88 1pmp s LYS 65 CO 0.13 0.01 1.28 1.28 -0.92 0.00 0.00 175.35 177.14 1pmp n LEU 66 N 3.99 3.79 0.00 3.17 4.77 -1.26 -2.43 117.00 129.03 1pmp n LEU 66 Ca -0.20 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1pmp n LEU 66 Cb 0.52 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1pmp n LEU 66 CO 0.27 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 1pmp n GLY 67 N 0.79 2.24 3.74 -0.72 0.00 0.27 -4.99 105.19 106.52 1pmp n GLY 67 Ca 0.06 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1pmp n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pmp s GLN 68 N 0.00 2.53 0.13 1.61 -0.21 -1.02 -4.78 119.66 117.92 1pmp s GLN 68 Ca 0.00 1.68 -0.07 0.00 0.02 0.00 0.00 55.36 56.99 1pmp s GLN 68 Cb 0.00 -1.89 -0.06 0.00 1.00 0.00 0.00 33.01 32.06 1pmp s GLN 68 CO 0.00 -1.51 0.40 -2.00 -2.12 0.00 0.00 175.29 170.05 1pmp s GLU 69 N -3.81 3.67 0.16 2.91 2.12 -1.26 -4.30 118.70 118.20 1pmp s GLU 69 Ca 0.73 0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.98 1pmp s GLU 69 Cb -0.27 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1pmp s GLU 69 CO 0.41 0.48 0.32 -0.59 -0.54 0.00 0.00 175.26 175.34 1pmp s PHE 70 N -1.60 0.25 -0.24 5.30 -0.12 0.29 -5.01 117.98 116.85 1pmp s PHE 70 Ca 0.39 -0.62 -0.07 0.00 -0.05 0.00 0.00 56.93 56.59 1pmp s PHE 70 Cb -0.12 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 1pmp s PHE 70 CO 0.22 -0.73 0.05 -1.21 -0.05 0.00 0.00 175.22 173.50 1pmp s GLU 71 N -3.93 3.63 -0.04 1.99 2.02 -1.26 -0.57 118.70 120.54 1pmp s GLU 71 Ca 0.14 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 54.70 1pmp s GLU 71 Cb 0.03 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 1pmp s GLU 71 CO -0.02 -0.16 -0.23 -2.00 0.02 0.00 0.00 175.26 172.87 1pmp s GLU 72 N 1.50 2.31 -0.26 1.61 2.12 -0.42 -4.99 118.70 120.57 1pmp s GLU 72 Ca 0.06 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 54.43 1pmp s GLU 72 Cb -0.15 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 1pmp s GLU 72 CO 0.03 0.53 0.12 0.99 -0.54 0.00 0.00 175.26 176.39 1pmp s THR 73 N -0.53 4.72 1.11 -1.70 2.01 -1.26 -1.14 115.64 118.84 1pmp s THR 73 Ca 0.07 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 1pmp s THR 73 Cb -0.11 -3.22 0.25 0.00 0.01 0.00 0.00 72.50 69.43 1pmp s THR 73 CO 0.00 0.31 1.20 0.42 -0.69 0.00 0.00 174.62 175.86 1pmp s THR 74 N 1.65 1.75 -0.91 -0.82 -4.23 -0.05 -4.92 115.64 108.12 1pmp s THR 74 Ca 0.07 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.83 1pmp s THR 74 Cb -0.15 -2.70 0.22 0.00 1.34 0.00 0.00 72.50 71.21 1pmp s THR 74 CO 0.07 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.93 1pmp n ALA 75 N -4.37 2.13 -1.15 3.99 0.00 -1.26 -3.04 120.51 116.80 1pmp n ALA 75 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1pmp n ALA 75 Cb 0.59 -1.41 0.25 0.00 0.00 0.00 0.00 19.45 18.88 1pmp n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pmp n ASP 76 N -1.69 3.60 0.00 0.00 5.75 -1.26 -4.96 116.55 117.98 1pmp n ASP 76 Ca 0.06 -3.31 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 1pmp n ASP 76 Cb 0.31 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1pmp n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1pmp n ASN 77 N -0.67 -1.62 -4.79 -1.12 5.15 -1.17 -5.00 115.26 106.04 1pmp n ASN 77 Ca 0.30 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.93 1pmp n ASN 77 Cb 1.05 -1.14 -0.03 0.00 -0.53 0.00 0.00 39.78 39.12 1pmp n ASN 77 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1pmp s ARG 78 N -0.49 3.83 -0.36 1.20 0.52 -1.26 -4.80 118.95 117.59 1pmp s ARG 78 Ca 0.00 1.42 -0.00 0.00 -0.52 0.00 0.00 55.73 56.63 1pmp s ARG 78 Cb 0.00 -2.18 0.09 0.00 0.52 0.00 0.00 34.95 33.38 1pmp s ARG 78 CO 0.00 -0.41 0.10 0.15 0.02 0.00 0.00 175.30 175.16 1pmp s LYS 79 N -3.08 1.92 0.15 3.54 1.02 -1.26 -0.87 119.74 121.16 1pmp s LYS 79 Ca 0.66 -1.71 0.05 0.00 0.02 0.00 0.00 55.97 54.99 1pmp s LYS 79 Cb -0.18 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 1pmp s LYS 79 CO 0.22 -0.92 0.09 0.99 -0.92 0.00 0.00 175.35 174.81 1pmp s THR 80 N 1.08 4.30 -0.72 2.17 2.01 -0.29 -4.83 115.64 119.35 1pmp s THR 80 Ca 0.06 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 1pmp s THR 80 Cb -0.21 -3.16 0.18 0.00 0.01 0.00 0.00 72.50 69.33 1pmp s THR 80 CO -0.05 -0.06 0.57 -0.54 -0.69 0.00 0.00 174.62 173.85 1pmp s LYS 81 N -2.92 2.91 0.14 4.92 -0.14 -0.82 -1.31 119.74 122.53 1pmp s LYS 81 Ca 0.30 -2.65 0.02 0.00 -1.36 0.00 0.00 55.97 52.28 1pmp s LYS 81 Cb -0.10 -3.92 -0.04 0.00 -1.68 0.00 0.00 37.83 32.09 1pmp s LYS 81 CO 0.22 -1.21 0.25 -1.12 -0.76 0.00 0.00 175.35 172.73 1pmp s SER 82 N 0.84 6.23 0.00 2.83 0.01 0.26 -2.75 113.70 121.12 1pmp s SER 82 Ca 0.19 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.61 1pmp s SER 82 Cb -0.16 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1pmp s SER 82 CO -0.06 0.07 -0.04 -0.89 0.41 0.00 0.00 173.24 172.73 1pmp s THR 83 N -1.70 0.35 -0.11 1.44 2.01 -0.47 -0.55 115.64 116.61 1pmp s THR 83 Ca 0.34 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1pmp s THR 83 Cb -0.11 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.11 1pmp s THR 83 CO 0.28 0.04 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.46 1pmp s VAL 84 N -0.24 1.13 0.18 3.82 1.01 -1.26 -1.17 120.40 123.86 1pmp s VAL 84 Ca 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.71 1pmp s VAL 84 Cb -0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1pmp s VAL 84 CO -0.00 0.38 -0.24 -0.89 0.00 0.00 0.00 175.10 174.34 1pmp s THR 85 N 1.40 2.36 -0.30 3.92 2.01 -0.81 -0.56 115.64 123.65 1pmp s THR 85 Ca -0.00 -1.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.01 1pmp s THR 85 Cb -0.13 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.30 1pmp s THR 85 CO -0.05 -0.06 0.05 -0.22 -0.69 0.00 0.00 174.62 173.64 1pmp s LEU 86 N -2.51 3.91 -0.27 4.42 2.96 -1.26 -1.28 118.68 124.65 1pmp s LEU 86 Ca 0.19 -1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.06 1pmp s LEU 86 Cb -0.09 -1.80 0.09 0.00 0.50 0.00 0.00 46.19 44.89 1pmp s LEU 86 CO 0.09 -0.24 0.09 0.00 -1.32 0.00 0.00 176.35 174.96 1pmp s ALA 87 N 1.38 1.10 -0.84 5.97 0.00 -0.76 -4.94 121.76 123.67 1pmp s ALA 87 Ca -0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1pmp s ALA 87 Cb -0.18 -1.41 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1pmp s ALA 87 CO 0.01 -1.50 0.67 0.54 0.00 0.00 0.00 175.76 175.47 1pmp n ARG 88 N 5.03 -1.40 0.00 0.00 1.74 -1.26 -2.99 116.66 117.78 1pmp n ARG 88 Ca -0.05 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1pmp n ARG 88 Cb 0.44 -3.91 0.00 0.00 -1.02 0.00 0.00 32.46 27.97 1pmp n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pmp n GLY 89 N -1.71 2.13 3.58 -0.13 0.00 -1.26 -5.00 105.19 102.80 1pmp n GLY 89 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1pmp n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pmp s SER 90 N -2.68 4.52 -0.78 1.61 1.04 -1.16 -4.42 113.70 111.83 1pmp s SER 90 Ca 0.00 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 1pmp s SER 90 Cb 0.00 -1.01 0.15 0.00 0.10 0.00 0.00 66.02 65.27 1pmp s SER 90 CO 0.00 0.27 0.85 -0.76 0.98 0.00 0.00 173.24 174.58 1pmp s LEU 91 N -1.53 5.79 0.34 2.42 1.43 0.59 -1.82 118.68 125.91 1pmp s LEU 91 Ca 0.18 -2.07 -0.26 0.00 -1.03 0.00 0.00 54.13 50.95 1pmp s LEU 91 Cb -0.11 -2.30 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 1pmp s LEU 91 CO 0.08 -0.90 0.98 0.20 0.23 0.00 0.00 176.35 176.94 1pmp s ASN 92 N 3.11 7.17 -0.02 2.29 -0.87 -0.41 -2.37 114.94 123.84 1pmp s ASN 92 Ca 0.20 1.91 0.03 0.00 -1.57 0.00 0.00 52.86 53.43 1pmp s ASN 92 Cb -0.13 -2.58 -0.00 0.00 -0.02 0.00 0.00 41.25 38.51 1pmp s ASN 92 CO -0.04 -0.20 -0.12 -1.58 -2.57 0.00 0.00 177.10 172.60 1pmp s GLN 93 N -2.17 1.13 -0.11 -0.60 0.74 0.33 -1.93 119.66 117.04 1pmp s GLN 93 Ca 0.52 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.54 1pmp s GLN 93 Cb -0.20 -1.05 0.01 0.00 1.10 0.00 0.00 33.01 32.87 1pmp s GLN 93 CO 0.25 0.20 -0.18 0.08 -0.55 0.00 0.00 175.29 175.09 1pmp s VAL 94 N -0.03 1.70 -0.17 1.34 1.01 -0.32 -1.11 120.40 122.83 1pmp s VAL 94 Ca -0.00 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1pmp s VAL 94 Cb -0.08 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1pmp s VAL 94 CO 0.00 0.48 -0.19 -1.10 0.00 0.00 0.00 175.10 174.30 1pmp s GLN 95 N 0.76 3.04 -0.03 2.72 -0.21 -0.46 -1.37 119.66 124.11 1pmp s GLN 95 Ca -0.11 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.51 1pmp s GLN 95 Cb -0.16 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.26 1pmp s GLN 95 CO 0.01 -0.16 -0.20 0.15 -2.12 0.00 0.00 175.29 172.98 1pmp s LYS 96 N 1.18 1.83 -0.21 2.91 1.02 -1.11 -1.39 119.74 123.97 1pmp s LYS 96 Ca 0.02 -0.70 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 1pmp s LYS 96 Cb -0.14 -1.65 0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1pmp s LYS 96 CO -0.09 0.34 0.55 1.67 -0.92 0.00 0.00 175.35 176.90 1pmp s TRP 97 N -0.20 -0.67 0.00 3.18 -2.14 -0.75 -1.94 118.94 116.41 1pmp s TRP 97 Ca 0.01 1.54 0.00 0.00 2.66 0.00 0.00 56.10 60.31 1pmp s TRP 97 Cb -0.10 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1pmp s TRP 97 CO 0.01 -0.33 0.00 0.09 -2.66 0.00 0.00 176.95 174.06 1pmp n ASN 98 N 3.25 0.00 0.00 -2.66 3.02 -1.26 0.78 115.26 118.39 1pmp n ASN 98 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1pmp n ASN 98 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1pmp n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pmp n GLY 99 N 0.00 0.88 3.91 7.41 0.00 -1.26 -5.05 105.19 111.09 1pmp n GLY 99 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1pmp n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pmp s ASN 100 N -0.53 5.56 -0.28 1.61 -0.87 0.23 -5.10 114.94 115.57 1pmp s ASN 100 Ca 0.00 0.75 -0.18 0.00 -1.57 0.00 0.00 52.86 51.86 1pmp s ASN 100 Cb 0.00 -1.72 0.09 0.00 -0.02 0.00 0.00 41.25 39.61 1pmp s ASN 100 CO 0.00 -1.10 0.77 -0.70 -2.57 0.00 0.00 177.10 173.50 1pmp s GLU 101 N -5.03 0.66 0.07 -0.60 2.12 -1.26 -1.80 118.70 112.86 1pmp s GLU 101 Ca 0.54 1.03 0.05 0.00 0.36 0.00 0.00 54.97 56.96 1pmp s GLU 101 Cb -0.11 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 1pmp s GLU 101 CO 0.46 -0.12 -0.15 -0.08 -0.54 0.00 0.00 175.26 174.83 1pmp s THR 102 N 1.22 1.15 -0.03 -1.70 -1.32 -0.49 -4.56 115.64 109.93 1pmp s THR 102 Ca -0.07 -1.33 0.06 0.00 -1.21 0.00 0.00 61.69 59.13 1pmp s THR 102 Cb -0.05 -1.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 1pmp s THR 102 CO -0.14 -0.22 -0.20 -0.89 -2.21 0.00 0.00 174.62 170.96 1pmp s THR 103 N -1.29 1.60 -0.14 5.08 2.01 -0.76 -1.35 115.64 120.78 1pmp s THR 103 Ca -0.01 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1pmp s THR 103 Cb -0.10 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.09 1pmp s THR 103 CO 0.02 0.45 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 1pmp s ILE 104 N -0.26 1.44 -0.12 1.82 1.01 -0.26 -0.88 121.20 123.94 1pmp s ILE 104 Ca 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1pmp s ILE 104 Cb -0.10 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1pmp s ILE 104 CO 0.01 0.44 -0.17 -0.54 0.00 0.00 0.00 174.94 174.68 1pmp s LYS 105 N 1.51 3.27 -0.31 2.79 1.02 0.54 0.12 119.74 128.68 1pmp s LYS 105 Ca 0.04 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1pmp s LYS 105 Cb -0.13 -2.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.73 1pmp s LYS 105 CO -0.10 0.18 -0.00 1.03 -0.92 0.00 0.00 175.35 175.54 1pmp s ARG 106 N 0.40 1.97 0.18 1.68 0.52 -1.00 -0.96 118.95 121.74 1pmp s ARG 106 Ca -0.13 -1.58 0.11 0.00 -0.52 0.00 0.00 55.73 53.61 1pmp s ARG 106 Cb -0.16 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1pmp s ARG 106 CO 0.06 -0.76 -0.19 -1.59 0.02 0.00 0.00 175.30 172.83 1pmp s LYS 107 N 1.05 1.69 -0.25 3.54 -2.85 -1.00 -0.30 119.74 121.63 1pmp s LYS 107 Ca 0.01 -1.43 -0.09 0.00 -1.00 0.00 0.00 55.97 53.45 1pmp s LYS 107 Cb -0.20 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.57 1pmp s LYS 107 CO -0.05 0.42 0.13 -0.51 0.10 0.00 0.00 175.35 175.44 1pmp s LEU 108 N -2.68 3.88 -0.21 2.77 1.43 -1.26 -0.14 118.68 122.47 1pmp s LEU 108 Ca 0.22 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1pmp s LEU 108 Cb -0.08 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.16 1pmp s LEU 108 CO 0.11 0.02 0.07 -0.69 0.23 0.00 0.00 176.35 176.09 1pmp s VAL 109 N 1.34 0.33 -1.42 -1.59 1.01 0.16 -4.89 120.40 115.34 1pmp s VAL 109 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1pmp s VAL 109 Cb -0.15 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1pmp s VAL 109 CO 0.06 -0.34 0.60 0.47 0.00 0.00 0.00 175.10 175.89 1pmp n ASP 110 N 5.11 -1.36 -1.58 3.32 8.00 -1.26 -1.33 116.55 127.45 1pmp n ASP 110 Ca -0.07 -0.93 -0.14 0.00 0.71 0.00 0.00 54.79 54.35 1pmp n ASP 110 Cb 0.46 -3.40 -0.01 0.00 -0.02 0.00 0.00 41.12 38.15 1pmp n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pmp n GLY 111 N -1.78 -0.04 3.21 0.44 0.00 -1.26 -5.00 105.19 100.76 1pmp n GLY 111 Ca -0.23 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1pmp n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pmp s LYS 112 N -4.56 0.93 -0.18 1.61 1.02 -0.44 -4.45 119.74 113.67 1pmp s LYS 112 Ca 0.00 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.87 1pmp s LYS 112 Cb 0.00 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.36 1pmp s LYS 112 CO 0.00 0.20 -0.03 1.41 -0.92 0.00 0.00 175.35 176.01 1pmp s MET 113 N -2.09 3.60 -0.28 1.68 -2.45 -0.56 0.38 119.30 119.58 1pmp s MET 113 Ca 0.03 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.88 1pmp s MET 113 Cb -0.08 -2.99 0.02 0.00 1.25 0.00 0.00 34.83 33.03 1pmp s MET 113 CO 0.03 0.09 0.02 0.08 1.05 0.00 0.00 175.02 176.28 1pmp s VAL 114 N 0.78 3.51 -0.31 10.11 1.01 0.80 -1.33 120.40 134.97 1pmp s VAL 114 Ca -0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1pmp s VAL 114 Cb -0.14 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1pmp s VAL 114 CO 0.02 0.13 0.34 -0.69 0.00 0.00 0.00 175.10 174.90 1pmp s VAL 115 N 1.43 5.19 -0.22 2.92 1.01 0.00 -2.38 120.40 128.35 1pmp s VAL 115 Ca 0.01 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1pmp s VAL 115 Cb -0.17 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1pmp s VAL 115 CO -0.00 0.04 -0.07 -0.70 0.00 0.00 0.00 175.10 174.36 1pmp s GLU 116 N 2.00 3.29 -0.18 2.72 2.12 -0.13 -0.88 118.70 127.63 1pmp s GLU 116 Ca 0.12 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 1pmp s GLU 116 Cb -0.16 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 1pmp s GLU 116 CO 0.11 -0.21 -0.12 0.00 -0.54 0.00 0.00 175.26 174.50 1pmp s LYS 118 N 1.12 2.02 -0.44 0.00 2.20 -0.06 -1.07 119.74 123.51 1pmp s LYS 118 Ca 0.01 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1pmp s LYS 118 Cb -0.14 -1.77 0.17 0.00 -1.51 0.00 0.00 37.83 34.58 1pmp s LYS 118 CO -0.04 0.33 0.47 1.41 -0.36 0.00 0.00 175.35 177.16 1pmp s MET 119 N -0.13 0.90 0.00 4.03 -2.45 0.56 -1.83 119.30 120.37 1pmp s MET 119 Ca -0.01 -1.50 0.00 0.00 -1.25 0.00 0.00 55.69 52.93 1pmp s MET 119 Cb -0.12 -0.83 0.00 0.00 1.25 0.00 0.00 34.83 35.13 1pmp s MET 119 CO 0.02 -1.33 0.00 1.17 1.05 0.00 0.00 175.02 175.93 1pmp n LYS 120 N 3.19 -0.61 -1.00 4.11 4.81 -1.26 -3.19 118.16 124.20 1pmp n LYS 120 Ca 0.22 0.93 -0.00 0.00 -0.87 0.00 0.00 58.31 58.58 1pmp n LYS 120 Cb 0.50 -0.92 -0.00 0.00 0.02 0.00 0.00 35.03 34.63 1pmp n LYS 120 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1pmp n ASP 121 N 1.72 -3.08 -3.74 3.14 2.03 -1.26 -5.00 116.55 110.37 1pmp n ASP 121 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1pmp n ASP 121 Cb 0.33 -0.59 -0.13 0.00 -0.72 0.00 0.00 41.12 40.01 1pmp n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1pmp s VAL 122 N -1.99 -0.03 -0.00 5.18 1.01 -1.19 -5.14 120.40 118.24 1pmp s VAL 122 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1pmp s VAL 122 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1pmp s VAL 122 CO 0.00 0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.34 1pmp s VAL 123 N 1.09 0.97 0.01 2.92 1.01 -1.25 -0.32 120.40 124.83 1pmp s VAL 123 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1pmp s VAL 123 Cb -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1pmp s VAL 123 CO -0.07 0.23 -0.09 0.00 0.00 0.00 0.00 175.10 175.17 1pmp s THR 125 N -0.50 1.38 -0.17 0.00 2.01 -0.74 -1.57 115.64 116.06 1pmp s THR 125 Ca 0.00 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1pmp s THR 125 Cb -0.05 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1pmp s THR 125 CO 0.00 0.20 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.88 1pmp s ARG 126 N 1.52 3.30 -0.09 4.92 0.52 -0.06 -1.00 118.95 128.06 1pmp s ARG 126 Ca 0.01 -0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1pmp s ARG 126 Cb -0.15 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1pmp s ARG 126 CO -0.08 0.01 0.12 0.42 0.02 0.00 0.00 175.30 175.79 1pmp s ILE 127 N 0.88 5.28 0.02 1.52 1.01 0.47 -0.82 121.20 129.56 1pmp s ILE 127 Ca -0.03 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1pmp s ILE 127 Cb -0.15 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1pmp s ILE 127 CO -0.00 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.05 1pmp s TYR 128 N -1.07 1.14 0.05 3.97 1.51 -0.44 -0.60 117.35 121.91 1pmp s TYR 128 Ca 0.17 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1pmp s TYR 128 Cb -0.12 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1pmp s TYR 128 CO 0.07 0.01 -0.02 -1.21 -1.11 0.00 0.00 175.55 173.29 1pmp s GLU 129 N -0.88 2.56 0.09 -0.62 2.02 -0.59 -1.50 118.70 119.78 1pmp s GLU 129 Ca 0.02 -0.78 -0.27 0.00 0.02 0.00 0.00 54.97 53.96 1pmp s GLU 129 Cb -0.07 -2.54 -0.06 0.00 0.10 0.00 0.00 34.13 31.56 1pmp s GLU 129 CO 0.01 0.57 0.84 0.21 0.02 0.00 0.00 175.26 176.90 1pmp s LYS 130 N -1.94 4.59 0.00 1.61 2.20 -1.26 0.16 119.74 125.10 1pmp s LYS 130 Ca 0.22 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1pmp s LYS 130 Cb -0.11 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1pmp s LYS 130 CO 0.14 0.30 0.00 0.28 -0.36 0.00 0.00 175.35 175.71