#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr s THR 2 N 0.00 0.00 0.09 2.61 -4.23 -1.26 -5.07 115.64 107.78 2krr s THR 2 Ca 0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.16 2krr s THR 2 Cb 0.00 -1.00 -0.16 0.00 1.34 0.00 0.00 72.50 72.68 2krr s THR 2 CO 0.00 0.00 1.55 -0.33 -0.54 0.00 0.00 174.62 175.30 2krr h GLU 3 N 6.64 -0.90 -7.40 3.99 4.39 -2.06 -3.43 114.58 115.80 2krr h GLU 3 Ca -0.30 0.06 -0.41 0.00 0.34 0.00 0.00 59.36 59.05 2krr h GLU 3 Cb 1.22 0.21 0.20 0.00 -0.10 0.00 0.00 28.75 30.27 2krr h GLU 3 CO 0.14 -0.60 0.13 -1.25 -1.16 0.00 0.00 179.01 176.26 2krr s PRO 4 N -5.79 -1.41 -0.13 2.33 0.04 -1.26 -5.04 135.00 123.74 2krr s PRO 4 Ca -0.17 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 60.71 2krr s PRO 4 Cb 0.05 -1.58 -0.07 0.00 0.04 0.00 0.00 34.50 32.93 2krr s PRO 4 CO 0.60 -3.82 -0.14 0.25 0.04 0.00 0.00 177.00 173.92 2krr n THR 5 N -4.83 0.75 -4.51 1.26 -2.24 -1.26 -5.07 114.28 98.37 2krr n THR 5 Ca 0.14 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 2krr n THR 5 Cb 0.60 -1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 2krr n THR 5 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2krr s THR 6 N -2.25 1.64 -0.51 4.28 -1.32 -1.26 -5.03 115.64 111.18 2krr s THR 6 Ca -0.18 -1.89 0.24 0.00 -1.21 0.00 0.00 61.69 58.65 2krr s THR 6 Cb 0.06 -2.53 0.33 0.00 -1.51 0.00 0.00 72.50 68.85 2krr s THR 6 CO 0.27 0.00 1.66 0.00 -2.21 0.00 0.00 174.62 174.34 2krr h ALA 7 N 1.41 1.00 -1.54 11.08 0.00 -1.94 -3.43 119.26 125.83 2krr h ALA 7 Ca -0.43 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.93 2krr h ALA 7 Cb 1.28 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2krr h ALA 7 CO 0.73 0.00 0.97 -0.06 0.00 0.00 0.00 179.25 180.90 2krr s PHE 8 N -3.19 2.54 -0.06 0.00 0.08 -1.26 -4.97 117.98 111.12 2krr s PHE 8 Ca 0.08 0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.24 2krr s PHE 8 Cb 0.07 -4.52 0.03 0.00 -0.57 0.00 0.00 43.02 38.04 2krr s PHE 8 CO 0.65 -1.69 0.39 -0.80 -0.10 0.00 0.00 175.22 173.67 2krr s ASN 9 N 3.13 -0.33 0.05 1.36 -0.87 -1.26 -1.35 114.94 115.68 2krr s ASN 9 Ca 0.40 0.39 0.03 0.00 -1.57 0.00 0.00 52.86 52.11 2krr s ASN 9 Cb -0.08 0.49 -0.03 0.00 -0.02 0.00 0.00 41.25 41.62 2krr s ASN 9 CO 0.23 -0.39 -0.10 -1.48 -2.57 0.00 0.00 177.10 172.79 2krr s LEU 10 N -0.89 2.26 0.26 0.60 0.05 -0.61 -4.85 118.68 115.50 2krr s LEU 10 Ca -0.10 -0.56 -0.30 0.00 0.05 0.00 0.00 54.13 53.23 2krr s LEU 10 Cb -0.04 -0.28 -0.09 0.00 -2.05 0.00 0.00 46.19 43.73 2krr s LEU 10 CO 0.04 -0.16 1.02 0.12 -0.55 0.00 0.00 176.35 176.82 2krr s PHE 11 N -1.32 3.79 0.15 3.48 2.19 0.14 -1.46 117.98 124.96 2krr s PHE 11 Ca -0.07 1.81 0.04 0.00 0.33 0.00 0.00 56.93 59.04 2krr s PHE 11 Cb -0.10 -3.13 -0.04 0.00 -1.31 0.00 0.00 43.02 38.44 2krr s PHE 11 CO 0.01 -0.03 -0.09 0.14 1.83 0.00 0.00 175.22 177.08 2krr s VAL 12 N -1.16 1.11 0.35 3.12 -7.23 -0.40 0.59 120.40 116.77 2krr s VAL 12 Ca 0.43 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2krr s VAL 12 Cb -0.29 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.76 2krr s VAL 12 CO 0.36 -0.71 0.49 -0.83 -0.31 0.00 0.00 175.10 174.11 2krr s GLY 13 N -3.17 1.51 -1.19 2.32 0.00 0.59 -1.53 107.32 105.84 2krr s GLY 13 Ca 0.18 -1.52 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 2krr s GLY 13 CO 0.01 -0.99 0.76 -2.01 0.00 0.00 0.00 173.10 170.87 2krr n ASN 14 N -1.48 -4.00 -1.80 1.64 5.15 0.21 -0.04 115.26 114.94 2krr n ASN 14 Ca 0.01 -0.91 0.08 0.00 -0.60 0.00 0.00 54.58 53.16 2krr n ASN 14 Cb 0.61 -3.85 0.39 0.00 -0.53 0.00 0.00 39.78 36.41 2krr n ASN 14 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2krr n LEU 15 N -4.06 5.42 -1.47 1.20 4.77 -0.53 -2.95 117.00 119.38 2krr n LEU 15 Ca -0.16 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 2krr n LEU 15 Cb 0.63 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2krr n LEU 15 CO 0.67 0.70 -0.35 -3.20 -1.33 0.00 0.00 177.39 173.88 2krr n ASN 16 N 0.84 -7.40 -3.75 -1.43 2.85 -1.25 -4.83 115.26 100.29 2krr n ASN 16 Ca 0.27 1.00 -0.32 0.00 -0.11 0.00 0.00 54.58 55.43 2krr n ASN 16 Cb 1.09 -3.65 -0.07 0.00 1.24 0.00 0.00 39.78 38.39 2krr n ASN 16 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2krr n PHE 17 N 0.63 3.50 0.00 1.20 -1.74 -1.23 -4.46 117.46 115.36 2krr n PHE 17 Ca 0.00 -3.94 0.00 0.00 -0.56 0.00 0.00 57.45 52.95 2krr n PHE 17 Cb 0.00 -0.80 0.00 0.00 1.52 0.00 0.00 39.48 40.20 2krr n PHE 17 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2krr n ASN 18 N 1.43 0.00 -2.30 5.98 3.02 -1.26 -5.04 115.26 117.09 2krr n ASN 18 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2krr n ASN 18 Cb 0.38 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 2krr n ASN 18 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2krr n LYS 19 N -1.63 0.24 -1.86 3.52 3.00 -1.26 -5.06 118.16 115.12 2krr n LYS 19 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 2krr n LYS 19 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2krr s SER 20 N -1.02 5.80 0.07 3.14 0.01 -1.26 -4.97 113.70 115.46 2krr s SER 20 Ca 0.00 1.28 -0.34 0.00 1.31 0.00 0.00 55.95 58.20 2krr s SER 20 Cb 0.00 -2.20 -0.19 0.00 0.21 0.00 0.00 66.02 63.84 2krr s SER 20 CO 0.00 -1.13 1.61 0.00 0.41 0.00 0.00 173.24 174.13 2krr h ALA 21 N -0.51 -1.02 0.00 1.44 0.00 -1.97 -2.42 119.26 114.79 2krr h ALA 21 Ca -0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2krr h ALA 21 Cb 1.22 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2krr h ALA 21 CO 0.63 -1.08 0.00 -0.35 0.00 0.00 0.00 179.25 178.45 2krr n PRO 22 N -5.53 0.14 0.14 0.00 -0.04 -1.26 -2.16 135.00 126.29 2krr n PRO 22 Ca -0.14 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2krr n PRO 22 Cb 0.41 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 2krr n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2krr h GLU 23 N 0.00 0.00 0.21 0.54 4.39 -1.81 -3.33 114.58 114.58 2krr h GLU 23 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2krr h GLU 23 Cb 0.18 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2krr h GLU 23 CO 0.00 0.00 -1.57 -0.07 -1.16 0.00 0.00 179.01 176.21 2krr h LEU 24 N 0.00 0.71 -0.70 1.33 4.07 -1.30 -3.34 115.31 116.07 2krr h LEU 24 Ca 0.00 -0.93 0.15 0.00 0.08 0.00 0.00 57.88 57.18 2krr h LEU 24 Cb 0.91 -0.23 -0.10 0.00 1.08 0.00 0.00 40.66 42.32 2krr h LEU 24 CO 0.00 1.73 0.17 0.11 -1.08 0.00 0.00 178.44 179.37 2krr h LYS 25 N 0.08 0.27 0.36 1.13 1.57 -1.67 -1.22 116.57 117.10 2krr h LYS 25 Ca -0.30 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2krr h LYS 25 Cb 2.09 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.31 2krr h LYS 25 CO 0.22 0.18 -0.49 1.15 -0.57 0.00 0.00 179.45 179.94 2krr h THR 26 N 0.28 0.05 -0.37 -0.16 2.02 -1.70 -1.28 112.91 111.74 2krr h THR 26 Ca 0.39 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.64 2krr h THR 26 Cb 0.63 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 2krr h THR 26 CO -0.47 0.00 -0.10 1.23 0.37 0.00 0.00 175.52 176.55 2krr h GLY 27 N -0.89 0.26 0.15 2.16 0.00 -1.53 0.32 103.07 103.54 2krr h GLY 27 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.50 2krr h GLY 27 CO -0.13 -0.14 -0.15 -2.22 0.00 0.00 0.00 176.54 173.89 2krr h ILE 28 N -0.00 0.52 0.00 2.60 2.04 -0.99 0.18 117.51 121.86 2krr h ILE 28 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2krr h ILE 28 Cb 0.28 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2krr h ILE 28 CO -0.39 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.53 2krr h SER 29 N -0.08 0.00 0.27 1.72 4.64 -0.62 -3.14 113.55 116.34 2krr h SER 29 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2krr h SER 29 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2krr h SER 29 CO -0.42 0.00 -0.13 -0.78 -0.87 0.00 0.00 176.83 174.63 2krr h ASP 30 N 0.00 -0.31 -0.84 4.97 3.58 0.24 -2.69 116.42 121.37 2krr h ASP 30 Ca 0.00 -0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.62 2krr h ASP 30 Cb 0.58 0.08 -0.12 0.00 1.72 0.00 0.00 39.33 41.59 2krr h ASP 30 CO 0.00 0.16 0.29 1.62 -2.88 0.00 0.00 179.24 178.43 2krr h VAL 31 N -1.08 0.47 -0.62 2.25 3.04 -0.93 0.25 116.25 119.63 2krr h VAL 31 Ca -0.04 -0.11 -0.05 0.00 -1.01 0.00 0.00 66.70 65.48 2krr h VAL 31 Cb 0.32 0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.68 2krr h VAL 31 CO 0.06 0.06 0.17 -0.26 -1.01 0.00 0.00 177.57 176.59 2krr h PHE 32 N 0.33 0.98 -0.09 3.17 0.04 -1.64 -2.11 116.94 117.63 2krr h PHE 32 Ca 0.51 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 61.21 2krr h PHE 32 Cb 0.93 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 2krr h PHE 32 CO -0.20 0.80 0.09 0.00 -0.60 0.00 0.00 178.31 178.40 2krr h ALA 33 N 1.27 1.70 0.00 2.45 0.00 -0.16 0.94 119.26 125.45 2krr h ALA 33 Ca 0.20 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2krr h ALA 33 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2krr h ALA 33 CO -0.00 -0.14 -0.43 1.57 0.00 0.00 0.00 179.25 180.25 2krr h LYS 34 N 0.00 0.00 -0.92 0.00 2.10 -1.05 -3.15 116.57 113.55 2krr h LYS 34 Ca 0.04 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.39 2krr h LYS 34 Cb 0.22 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.38 2krr h LYS 34 CO -0.00 0.43 0.38 0.09 -2.00 0.00 0.00 179.45 178.35 2krr n ASN 35 N -3.28 3.87 -2.27 7.07 3.02 0.20 -4.85 115.26 119.01 2krr n ASN 35 Ca 0.02 -3.11 -0.21 0.00 -0.03 0.00 0.00 54.58 51.24 2krr n ASN 35 Cb 0.66 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2krr n ASN 35 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2krr n ASP 36 N -0.45 -5.88 -4.76 6.41 9.92 -1.19 -4.97 116.55 115.63 2krr n ASP 36 Ca 0.40 0.07 -0.35 0.00 -0.53 0.00 0.00 54.79 54.38 2krr n ASP 36 Cb 1.30 -4.94 -0.08 0.00 -0.64 0.00 0.00 41.12 36.77 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2krr s LEU 37 N -5.84 3.89 -0.22 0.64 1.43 -0.46 -5.02 118.68 113.10 2krr s LEU 37 Ca 0.00 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2krr s LEU 37 Cb 0.00 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.31 2krr s LEU 37 CO 0.00 0.38 -0.15 0.00 0.23 0.00 0.00 176.35 176.80 2krr s ALA 38 N -0.97 2.45 0.02 4.21 0.00 -1.26 -3.44 121.76 122.78 2krr s ALA 38 Ca 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2krr s ALA 38 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2krr s ALA 38 CO 0.04 -0.72 0.11 0.14 0.00 0.00 0.00 175.76 175.32 2krr s VAL 39 N 1.22 4.84 -0.09 0.00 -7.23 -1.26 -3.53 120.40 114.35 2krr s VAL 39 Ca -0.01 -0.45 0.10 0.00 -1.81 0.00 0.00 61.98 59.81 2krr s VAL 39 Cb -0.16 -3.26 -0.24 0.00 0.56 0.00 0.00 36.38 33.29 2krr s VAL 39 CO -0.09 0.28 0.50 1.33 -0.31 0.00 0.00 175.10 176.81 2krr n VAL 40 N 0.91 1.60 -3.65 1.32 0.24 -0.28 -4.86 118.33 113.61 2krr n VAL 40 Ca -0.11 -0.78 -0.02 0.00 -2.04 0.00 0.00 64.34 61.39 2krr n VAL 40 Cb 0.52 -1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 2krr n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2krr s ASP 41 N -6.14 -0.00 0.07 -1.34 2.15 -1.23 -5.02 116.67 105.16 2krr s ASP 41 Ca -0.09 0.00 0.09 0.00 0.43 0.00 0.00 52.55 52.98 2krr s ASP 41 Cb 0.07 0.00 -0.03 0.00 -0.30 0.00 0.00 42.92 42.67 2krr s ASP 41 CO 0.81 -0.00 -0.24 0.68 -0.17 0.00 0.00 175.17 176.25 2krr s VAL 42 N -0.23 1.93 0.07 1.11 -7.23 -1.26 -0.22 120.40 114.57 2krr s VAL 42 Ca 0.08 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 2krr s VAL 42 Cb -0.04 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2krr s VAL 42 CO -0.15 0.19 0.08 -0.60 -0.31 0.00 0.00 175.10 174.31 2krr s ARG 43 N -1.48 2.90 -0.06 4.82 6.06 0.95 -4.93 118.95 127.21 2krr s ARG 43 Ca 0.10 -0.67 0.05 0.00 -2.50 0.00 0.00 55.73 52.71 2krr s ARG 43 Cb -0.10 -2.74 -0.01 0.00 0.06 0.00 0.00 34.95 32.17 2krr s ARG 43 CO 0.03 0.57 -0.22 0.42 -2.50 0.00 0.00 175.30 173.60 2krr s ILE 44 N -1.37 1.86 1.33 4.11 -1.09 -1.26 -0.69 121.20 124.10 2krr s ILE 44 Ca 0.29 -0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 57.53 2krr s ILE 44 Cb -0.12 -1.59 0.33 0.00 -1.58 0.00 0.00 42.46 39.51 2krr s ILE 44 CO 0.21 0.52 1.03 -0.83 -1.23 0.00 0.00 174.94 174.65 2krr s GLY 45 N -0.04 1.51 0.00 6.18 0.00 0.11 -4.91 107.32 110.18 2krr s GLY 45 Ca -0.06 -0.99 0.29 0.00 0.00 0.00 0.00 44.72 43.96 2krr s GLY 45 CO 0.04 -0.01 1.90 1.15 0.00 0.00 0.00 173.10 176.18 2krr n MET 46 N -5.22 0.16 0.00 2.90 0.00 -1.26 -3.15 117.12 110.55 2krr n MET 46 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 57.70 57.89 2krr n MET 46 Cb 0.60 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.33 2krr n MET 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2krr n THR 47 N -1.41 0.00 -1.47 3.17 5.66 -1.26 -4.97 114.28 114.01 2krr n THR 47 Ca 0.09 -0.39 -0.16 0.00 -3.05 0.00 0.00 64.05 60.54 2krr n THR 47 Cb 0.31 1.17 -0.07 0.00 -1.55 0.00 0.00 70.33 70.19 2krr n THR 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2krr n ARG 48 N -0.05 -1.58 -0.01 1.09 3.00 -1.19 -4.65 116.66 113.27 2krr n ARG 48 Ca 0.06 1.07 0.10 0.00 -0.01 0.00 0.00 57.85 59.07 2krr n ARG 48 Cb 0.28 -5.48 -0.16 0.00 0.00 0.00 0.00 32.46 27.10 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2krr n LYS 49 N -1.62 0.61 -3.95 5.56 3.00 -1.26 -3.51 118.16 116.99 2krr n LYS 49 Ca -0.16 -0.18 -0.14 0.00 -0.00 0.00 0.00 58.31 57.83 2krr n LYS 49 Cb 0.64 -1.49 -0.02 0.00 0.00 0.00 0.00 35.03 34.16 2krr n LYS 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 2krr n PHE 50 N -2.19 -1.61 0.00 5.64 -1.74 -1.26 0.68 117.46 116.97 2krr n PHE 50 Ca -0.03 -2.28 0.00 0.00 -0.56 0.00 0.00 57.45 54.58 2krr n PHE 50 Cb 0.53 0.62 0.00 0.00 1.52 0.00 0.00 39.48 42.15 2krr n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2krr n GLY 51 N -0.57 -0.74 3.13 4.97 0.00 -0.59 0.09 105.19 111.48 2krr n GLY 51 Ca -0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 2krr n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krr s TYR 52 N -4.00 0.41 -0.07 1.61 1.51 0.14 -1.28 117.35 115.67 2krr s TYR 52 Ca 0.00 -0.92 -0.00 0.00 -1.01 0.00 0.00 57.07 55.14 2krr s TYR 52 Cb 0.00 -0.28 0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2krr s TYR 52 CO 0.00 -0.44 -0.02 0.08 -1.11 0.00 0.00 175.55 174.06 2krr s VAL 53 N -3.90 0.52 -0.11 0.71 1.01 -0.53 -0.03 120.40 118.06 2krr s VAL 53 Ca 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2krr s VAL 53 Cb 0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2krr s VAL 53 CO -0.10 0.27 0.12 -1.81 0.00 0.00 0.00 175.10 173.58 2krr s ASP 54 N 1.60 6.23 0.07 3.32 1.01 0.70 -1.58 116.67 128.03 2krr s ASP 54 Ca -0.00 0.42 0.08 0.00 0.71 0.00 0.00 52.55 53.76 2krr s ASP 54 Cb -0.13 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 2krr s ASP 54 CO -0.04 0.39 -0.23 -0.36 0.21 0.00 0.00 175.17 175.15 2krr s PHE 55 N -1.03 1.97 0.25 4.23 0.40 -0.45 -1.12 117.98 122.22 2krr s PHE 55 Ca 0.16 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 2krr s PHE 55 Cb -0.12 -1.14 0.48 0.00 0.51 0.00 0.00 43.02 42.75 2krr s PHE 55 CO 0.05 0.16 1.72 0.93 0.70 0.00 0.00 175.22 178.78 2krr h GLU 56 N 4.52 0.42 0.00 0.44 5.08 -1.88 -3.41 114.58 119.75 2krr h GLU 56 Ca -0.45 -0.03 -0.45 0.00 -1.00 0.00 0.00 59.36 57.43 2krr h GLU 56 Cb 1.16 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 2krr h GLU 56 CO 0.42 0.28 -0.36 0.45 -1.00 0.00 0.00 179.01 178.79 2krr n SER 57 N -5.01 1.70 0.18 1.42 2.88 -1.26 -4.93 113.62 108.59 2krr n SER 57 Ca 0.15 -2.69 0.12 0.00 -1.33 0.00 0.00 58.87 55.12 2krr n SER 57 Cb 0.44 0.65 0.12 0.00 -0.75 0.00 0.00 64.21 64.67 2krr n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2krr h ALA 58 N 1.43 0.84 0.68 -1.46 0.00 -1.96 -3.27 119.26 115.52 2krr h ALA 58 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2krr h ALA 58 Cb 0.95 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2krr h ALA 58 CO 0.43 0.00 -0.33 0.93 0.00 0.00 0.00 179.25 180.29 2krr h GLU 59 N 0.00 -0.88 0.00 0.00 5.08 -1.97 -1.20 114.58 115.62 2krr h GLU 59 Ca 0.00 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2krr h GLU 59 Cb 0.99 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2krr h GLU 59 CO 0.00 -0.56 -0.02 -0.44 -1.00 0.00 0.00 179.01 176.99 2krr h ASP 60 N -1.15 0.00 0.15 1.42 3.32 -1.93 0.14 116.42 118.37 2krr h ASP 60 Ca -0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2krr h ASP 60 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2krr h ASP 60 CO 0.15 0.02 -0.07 0.25 -1.72 0.00 0.00 179.24 177.87 2krr h LEU 61 N 0.00 -0.17 -1.04 1.55 6.46 -1.56 -3.13 115.31 117.42 2krr h LEU 61 Ca -0.00 -0.35 -0.06 0.00 -0.12 0.00 0.00 57.88 57.35 2krr h LEU 61 Cb 0.10 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2krr h LEU 61 CO 0.00 0.40 -0.27 1.05 -0.62 0.00 0.00 178.44 179.00 2krr h GLU 62 N -0.89 0.00 -0.56 1.25 4.11 -0.96 -3.12 114.58 114.41 2krr h GLU 62 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2krr h GLU 62 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2krr h GLU 62 CO 0.03 0.27 0.31 0.87 0.07 0.00 0.00 179.01 180.57 2krr h LYS 63 N 0.00 0.78 -0.49 1.06 1.57 -0.79 -2.00 116.57 116.69 2krr h LYS 63 Ca -0.00 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2krr h LYS 63 Cb 0.80 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2krr h LYS 63 CO 0.04 0.59 0.35 0.00 -0.57 0.00 0.00 179.45 179.85 2krr h ALA 64 N 1.14 2.40 0.00 3.86 0.00 -1.48 0.33 119.26 125.52 2krr h ALA 64 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2krr h ALA 64 Cb 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2krr h ALA 64 CO -0.03 -0.54 -0.08 -0.07 0.00 0.00 0.00 179.25 178.53 2krr h LEU 65 N 0.05 0.00 0.00 0.00 3.38 -1.50 -3.34 115.31 113.90 2krr h LEU 65 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2krr h LEU 65 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2krr h LEU 65 CO -0.01 0.08 -0.58 -0.33 0.09 0.00 0.00 178.44 177.69 2krr h GLU 66 N 0.00 0.00 -7.25 1.13 4.39 -0.14 -3.47 114.58 109.24 2krr h GLU 66 Ca -0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 2krr h GLU 66 Cb 1.04 0.00 0.20 0.00 -0.10 0.00 0.00 28.75 29.89 2krr h GLU 66 CO 0.01 0.80 0.04 -0.48 -1.16 0.00 0.00 179.01 178.23 2krr s LEU 67 N -8.11 0.21 0.27 1.33 0.05 -0.14 -5.08 118.68 107.22 2krr s LEU 67 Ca -0.21 0.85 -0.04 0.00 0.05 0.00 0.00 54.13 54.79 2krr s LEU 67 Cb 0.02 -2.55 -0.02 0.00 -2.05 0.00 0.00 46.19 41.59 2krr s LEU 67 CO 0.53 -4.44 0.35 0.28 -0.55 0.00 0.00 176.35 172.52 2krr s THR 68 N -2.71 0.00 0.00 5.48 -1.32 -1.26 -4.93 115.64 110.90 2krr s THR 68 Ca 0.69 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2krr s THR 68 Cb -0.13 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 2krr s THR 68 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2krr n GLY 69 N -0.43 0.63 3.38 6.08 0.00 -1.26 -5.06 105.19 108.53 2krr n GLY 69 Ca 0.01 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2krr n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2krr s LEU 70 N -1.43 3.80 0.03 0.99 1.43 -1.26 -5.07 118.68 117.17 2krr s LEU 70 Ca 0.00 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 2krr s LEU 70 Cb 0.00 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2krr s LEU 70 CO 0.00 -0.16 0.26 -1.59 0.23 0.00 0.00 176.35 175.09 2krr s LYS 71 N 1.54 0.73 -0.06 1.70 0.00 -1.26 -2.26 119.74 120.13 2krr s LYS 71 Ca 0.04 -0.49 -0.11 0.00 0.00 0.00 0.00 55.97 55.41 2krr s LYS 71 Cb -0.17 0.31 0.02 0.00 0.00 0.00 0.00 37.83 38.00 2krr s LYS 71 CO 0.03 -0.22 0.27 0.14 0.00 0.00 0.00 175.35 175.57 2krr s VAL 72 N -2.29 0.03 -2.04 1.79 -7.23 0.92 -4.73 120.40 106.84 2krr s VAL 72 Ca -0.07 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2krr s VAL 72 Cb -0.02 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.46 2krr s VAL 72 CO -0.02 -0.13 0.00 0.49 -0.31 0.00 0.00 175.10 175.13 2krr n PHE 73 N 2.24 -0.18 0.00 2.82 3.72 -1.26 -1.95 117.46 122.85 2krr n PHE 73 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2krr n PHE 73 Cb 0.57 -3.40 0.00 0.00 -0.94 0.00 0.00 39.48 35.71 2krr n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krr n GLY 74 N -0.44 3.03 3.81 1.37 0.00 -1.26 -5.04 105.19 106.66 2krr n GLY 74 Ca -0.20 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 5.35 -0.37 1.61 0.01 -0.82 -5.02 114.94 115.69 2krr s ASN 75 Ca 0.00 1.70 -0.13 0.00 -0.71 0.00 0.00 52.86 53.72 2krr s ASN 75 Cb 0.00 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 39.16 2krr s ASN 75 CO 0.00 -1.46 0.24 -0.70 -1.51 0.00 0.00 177.10 173.67 2krr s GLU 76 N -4.78 3.09 0.65 -0.60 -6.30 -1.26 -0.06 118.70 109.44 2krr s GLU 76 Ca 0.60 -0.92 -0.16 0.00 -2.50 0.00 0.00 54.97 52.00 2krr s GLU 76 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 34.13 30.15 2krr s GLU 76 CO 0.51 -0.63 1.13 0.96 0.02 0.00 0.00 175.26 177.24 2krr s ILE 77 N 1.65 3.12 0.05 -3.70 -5.25 -0.96 -4.72 121.20 111.38 2krr s ILE 77 Ca 0.04 0.55 0.08 0.00 -0.99 0.00 0.00 60.65 60.33 2krr s ILE 77 Cb -0.18 -3.09 -0.03 0.00 2.95 0.00 0.00 42.46 42.10 2krr s ILE 77 CO 0.09 -0.29 -0.20 -0.54 -1.79 0.00 0.00 174.94 172.20 2krr s LYS 78 N -3.93 1.97 -0.09 0.37 1.02 0.94 -4.78 119.74 115.24 2krr s LYS 78 Ca 0.69 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.65 2krr s LYS 78 Cb -0.22 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2krr s LYS 78 CO 0.39 0.53 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.75 2krr s LEU 79 N -1.44 2.97 0.14 3.17 1.02 -1.26 -0.30 118.68 122.99 2krr s LEU 79 Ca 0.14 -0.15 -0.16 0.00 0.02 0.00 0.00 54.13 53.98 2krr s LEU 79 Cb -0.10 -1.65 0.03 0.00 0.02 0.00 0.00 46.19 44.48 2krr s LEU 79 CO 0.05 0.28 0.42 -1.61 0.02 0.00 0.00 176.35 175.51 2krr s GLU 80 N -0.34 1.15 0.03 1.70 2.02 0.20 -4.98 118.70 118.47 2krr s GLU 80 Ca 0.04 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.11 2krr s GLU 80 Cb -0.13 0.48 -0.06 0.00 0.10 0.00 0.00 34.13 34.52 2krr s GLU 80 CO 0.02 -0.46 0.43 0.15 0.02 0.00 0.00 175.26 175.43 2krr s LYS 81 N -3.83 3.92 0.12 1.61 1.02 -1.26 0.25 119.74 121.56 2krr s LYS 81 Ca 0.05 0.41 -0.02 0.00 0.02 0.00 0.00 55.97 56.43 2krr s LYS 81 Cb 0.01 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.19 2krr s LYS 81 CO -0.09 0.65 0.10 -0.35 -0.92 0.00 0.00 175.35 174.74 2krr n PRO 82 N 1.58 -1.23 -0.75 -1.68 -0.04 -1.26 -4.80 135.00 126.83 2krr n PRO 82 Ca -0.12 -0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 62.86 2krr n PRO 82 Cb 0.52 -0.15 0.15 0.00 -0.04 0.00 0.00 33.50 33.97 2krr n PRO 82 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2krr n LYS 83 N -1.83 -0.36 0.00 0.54 2.85 -1.26 -4.95 118.16 113.15 2krr n LYS 83 Ca 0.01 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2krr n LYS 83 Cb 0.06 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.28 2krr n LYS 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2krr n GLY 84 N 0.82 -1.50 3.54 2.58 0.00 -1.26 -5.18 105.19 104.19 2krr n GLY 84 Ca 0.10 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 2krr n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 85 N 0.00 0.62 0.11 1.61 -2.85 -1.26 -5.19 119.74 112.78 2krr s LYS 85 Ca 0.00 -0.20 -0.25 0.00 -1.00 0.00 0.00 55.97 54.52 2krr s LYS 85 Cb 0.00 0.29 0.08 0.00 -2.06 0.00 0.00 37.83 36.14 2krr s LYS 85 CO 0.00 -0.27 1.10 0.34 0.10 0.00 0.00 175.35 176.63 2krr s ASP 86 N -2.27 -0.05 0.31 0.03 2.15 -1.26 -5.03 116.67 110.56 2krr s ASP 86 Ca 0.06 -0.45 0.19 0.00 0.43 0.00 0.00 52.55 52.78 2krr s ASP 86 Cb -0.01 0.38 0.14 0.00 -0.30 0.00 0.00 42.92 43.13 2krr s ASP 86 CO -0.07 -0.75 1.38 0.28 -0.17 0.00 0.00 175.17 175.85 2krr h SER 87 N 2.00 0.00 -0.00 -0.34 0.02 -2.05 -3.25 113.55 109.93 2krr h SER 87 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2krr h SER 87 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2krr h SER 87 CO 0.32 0.24 0.03 0.11 -1.14 0.00 0.00 176.83 176.38 2krr h LYS 88 N 0.00 0.00 -0.70 3.45 1.57 -2.02 -1.91 116.57 116.96 2krr h LYS 88 Ca -0.02 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2krr h LYS 88 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 2krr h LYS 88 CO 0.03 0.00 0.54 1.57 -0.57 0.00 0.00 179.45 181.02 2krr h LYS 89 N 0.00 0.00 0.11 3.15 2.10 -1.94 0.31 116.57 120.30 2krr h LYS 89 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2krr h LYS 89 Cb 0.06 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.35 2krr h LYS 89 CO -0.00 0.00 -0.40 1.49 -2.00 0.00 0.00 179.45 178.54 2krr h GLU 90 N 0.00 -0.60 0.00 0.07 4.81 -1.62 0.26 114.58 117.50 2krr h GLU 90 Ca 0.33 0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 2krr h GLU 90 Cb 1.41 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 2krr h GLU 90 CO -0.00 -0.40 -0.91 0.07 -0.73 0.00 0.00 179.01 177.03 2krr h ARG 91 N -0.63 0.00 0.00 1.92 0.11 -1.58 -3.15 114.38 111.06 2krr h ARG 91 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2krr h ARG 91 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2krr h ARG 91 CO -0.24 0.91 0.00 -3.47 0.10 0.00 0.00 179.97 177.27 2krr n ASP 92 N -3.33 0.00 0.00 0.08 2.03 0.02 -2.55 116.55 112.80 2krr n ASP 92 Ca 0.00 0.38 0.09 0.00 0.52 0.00 0.00 54.79 55.78 2krr n ASP 92 Cb 0.90 -0.45 0.42 0.00 -0.72 0.00 0.00 41.12 41.28 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr n ALA 93 N -1.45 1.90 -0.23 -1.67 0.00 0.90 -0.10 120.51 119.86 2krr n ALA 93 Ca 0.05 -0.07 0.29 0.00 0.00 0.00 0.00 53.44 53.71 2krr n ALA 93 Cb 0.20 -1.30 0.69 0.00 0.00 0.00 0.00 19.45 19.03 2krr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2krr h ARG 94 N 0.00 0.08 -4.12 0.00 9.65 -1.72 -3.40 114.38 114.87 2krr h ARG 94 Ca 0.00 -0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.63 2krr h ARG 94 Cb 0.27 -0.02 -0.25 0.00 -1.39 0.00 0.00 29.97 28.59 2krr h ARG 94 CO 0.00 0.05 -0.72 0.99 2.80 0.00 0.00 179.97 183.09 2krr s THR 95 N -5.06 0.24 0.15 0.20 2.01 -1.21 -3.12 115.64 108.85 2krr s THR 95 Ca -0.06 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2krr s THR 95 Cb 0.22 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 2krr s THR 95 CO 0.78 -0.21 0.03 -0.76 -0.69 0.00 0.00 174.62 173.78 2krr s LEU 96 N -0.81 3.46 0.07 4.42 2.01 0.93 -1.24 118.68 127.52 2krr s LEU 96 Ca -0.06 -0.29 0.09 0.00 0.01 0.00 0.00 54.13 53.88 2krr s LEU 96 Cb -0.06 -2.12 -0.03 0.00 0.01 0.00 0.00 46.19 44.00 2krr s LEU 96 CO -0.00 0.10 -0.24 -0.22 1.01 0.00 0.00 176.35 177.00 2krr s LEU 97 N -2.84 2.35 -0.07 1.79 2.96 0.10 -1.02 118.68 121.95 2krr s LEU 97 Ca 0.28 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2krr s LEU 97 Cb -0.10 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 2krr s LEU 97 CO 0.20 0.23 -0.12 0.00 -1.32 0.00 0.00 176.35 175.34 2krr s ALA 98 N -0.92 2.76 0.26 5.97 0.00 0.92 -0.10 121.76 130.66 2krr s ALA 98 Ca 0.13 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2krr s ALA 98 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2krr s ALA 98 CO 0.04 0.52 0.19 0.15 0.00 0.00 0.00 175.76 176.66 2krr s LYS 99 N -0.60 1.46 -0.94 0.00 -0.14 0.95 -2.04 119.74 118.43 2krr s LYS 99 Ca 0.09 -1.81 -0.01 0.00 -1.36 0.00 0.00 55.97 52.87 2krr s LYS 99 Cb -0.11 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.30 2krr s LYS 99 CO 0.01 -0.50 0.79 -1.71 -0.76 0.00 0.00 175.35 173.18 2krr n ASN 100 N -0.85 -2.51 -4.30 2.83 5.15 -1.26 -0.97 115.26 113.34 2krr n ASN 100 Ca 0.04 -0.47 -0.29 0.00 -0.60 0.00 0.00 54.58 53.26 2krr n ASN 100 Cb 0.64 -4.05 -0.15 0.00 -0.53 0.00 0.00 39.78 35.70 2krr n ASN 100 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2krr s LEU 101 N -5.42 2.11 1.09 1.20 1.43 -1.26 -4.09 118.68 113.74 2krr s LEU 101 Ca 0.06 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2krr s LEU 101 Cb -0.03 -1.22 0.23 0.00 0.03 0.00 0.00 46.19 45.20 2krr s LEU 101 CO 0.56 0.26 1.10 -2.16 0.23 0.00 0.00 176.35 176.34 2krr s PRO 102 N -0.93 -0.31 0.35 1.29 0.04 -1.26 -4.40 135.00 129.77 2krr s PRO 102 Ca 0.10 0.26 0.19 0.00 0.04 0.00 0.00 61.00 61.59 2krr s PRO 102 Cb -0.10 -1.67 0.31 0.00 0.04 0.00 0.00 34.50 33.08 2krr s PRO 102 CO 0.01 -3.17 1.56 1.88 0.04 0.00 0.00 177.00 177.31 2krr h TYR 103 N -2.20 0.00 -0.50 0.56 0.05 -1.98 -3.11 116.97 109.79 2krr h TYR 103 Ca -0.51 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.20 2krr h TYR 103 Cb 1.32 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.02 2krr h TYR 103 CO -0.68 0.33 0.09 0.36 -1.05 0.00 0.00 178.16 177.22 2krr n LYS 104 N -3.23 3.66 -3.63 4.88 2.85 -1.26 -3.79 118.16 117.64 2krr n LYS 104 Ca 0.02 -2.42 -0.28 0.00 -1.05 0.00 0.00 58.31 54.59 2krr n LYS 104 Cb 0.63 -2.06 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2krr s VAL 105 N -2.40 5.17 0.07 0.58 0.11 -1.18 -5.12 120.40 117.64 2krr s VAL 105 Ca 0.42 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 2krr s VAL 105 Cb 0.33 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.42 2krr s VAL 105 CO 0.12 -0.20 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.71 2krr s THR 106 N -1.91 0.69 0.35 5.04 2.01 -1.26 -4.83 115.64 115.72 2krr s THR 106 Ca 0.39 -1.38 0.15 0.00 0.31 0.00 0.00 61.69 61.16 2krr s THR 106 Cb -0.11 -1.01 0.36 0.00 0.01 0.00 0.00 72.50 71.75 2krr s THR 106 CO 0.29 -0.51 1.60 -0.61 -0.69 0.00 0.00 174.62 174.70 2krr h GLN 107 N 3.98 0.07 -0.66 4.92 -0.00 -1.98 0.55 115.11 121.99 2krr h GLN 107 Ca -0.36 -0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.42 2krr h GLN 107 Cb 1.19 -0.02 -0.11 0.00 0.00 0.00 0.00 27.48 28.55 2krr h GLN 107 CO 0.48 0.05 0.06 0.22 0.00 0.00 0.00 178.83 179.63 2krr h ASP 108 N 0.07 -0.18 -0.94 -0.69 1.82 -1.97 0.36 116.42 114.89 2krr h ASP 108 Ca 0.76 0.15 0.25 0.00 -0.39 0.00 0.00 57.03 57.79 2krr h ASP 108 Cb 1.86 0.25 -0.06 0.00 0.68 0.00 0.00 39.33 42.06 2krr h ASP 108 CO -0.77 -0.09 0.64 1.05 -1.61 0.00 0.00 179.24 178.47 2krr h GLU 109 N 0.17 0.20 0.00 0.28 -0.00 -0.30 0.31 114.58 115.24 2krr h GLU 109 Ca 0.35 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.36 59.53 2krr h GLU 109 Cb 0.58 -0.05 -0.03 0.00 -0.00 0.00 0.00 28.75 29.26 2krr h GLU 109 CO -0.53 0.14 -1.29 -0.07 -0.00 0.00 0.00 179.01 177.26 2krr h LEU 110 N 0.21 0.00 -0.00 3.06 3.38 -0.46 -3.30 115.31 118.21 2krr h LEU 110 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2krr h LEU 110 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2krr h LEU 110 CO -0.12 0.61 0.00 2.29 0.09 0.00 0.00 178.44 181.32 2krr n LYS 111 N -2.97 0.00 0.05 1.13 2.85 0.10 -2.39 118.16 116.94 2krr n LYS 111 Ca -0.08 0.20 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 2krr n LYS 111 Cb 0.84 -1.50 0.45 0.00 -0.65 0.00 0.00 35.03 34.17 2krr n LYS 111 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2krr n GLU 112 N -1.50 0.10 -0.07 -1.58 1.02 -0.74 -0.91 120.64 116.94 2krr n GLU 112 Ca 0.04 0.22 -0.14 0.00 -0.02 0.00 0.00 57.16 57.26 2krr n GLU 112 Cb 0.21 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2krr n VAL 113 N -1.82 0.83 -1.52 2.62 0.24 -1.00 -4.67 118.33 113.00 2krr n VAL 113 Ca 0.04 -0.25 -0.25 0.00 -2.04 0.00 0.00 64.34 61.85 2krr n VAL 113 Cb 0.28 -1.47 0.10 0.00 -1.47 0.00 0.00 33.84 31.28 2krr n VAL 113 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2krr n PHE 114 N -3.42 2.67 0.24 6.34 1.16 -1.18 -4.69 117.46 118.58 2krr n PHE 114 Ca -0.28 -2.39 0.17 0.00 -1.87 0.00 0.00 57.45 53.08 2krr n PHE 114 Cb 0.73 -0.91 0.81 0.00 -1.61 0.00 0.00 39.48 38.50 2krr n PHE 114 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2krr h GLU 115 N 1.72 0.00 -0.71 3.97 4.81 -1.29 0.64 114.58 123.72 2krr h GLU 115 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2krr h GLU 115 Cb 1.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2krr h GLU 115 CO 1.08 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.89 2krr n ASP 116 N -3.26 3.78 -4.52 1.04 2.03 -1.26 -4.93 116.55 109.43 2krr n ASP 116 Ca 0.01 -2.51 -0.29 0.00 0.52 0.00 0.00 54.79 52.52 2krr n ASP 116 Cb 0.45 -0.58 0.14 0.00 -0.72 0.00 0.00 41.12 40.41 2krr n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr s ALA 117 N -2.02 2.28 -0.06 -1.67 0.00 0.22 -5.00 121.76 115.52 2krr s ALA 117 Ca 0.34 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 2krr s ALA 117 Cb 0.25 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2krr s ALA 117 CO 0.11 -2.16 0.14 0.00 0.00 0.00 0.00 175.76 173.86 2krr h ALA 118 N -1.43 -0.13 -2.43 0.00 0.00 -1.87 -3.49 119.26 109.92 2krr h ALA 118 Ca -0.46 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 118 Cb 1.29 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2krr h ALA 118 CO 0.52 -0.12 -0.71 -1.83 0.00 0.00 0.00 179.25 177.11 2krr s GLU 119 N -1.74 0.82 -0.01 0.00 4.04 -0.71 -5.04 118.70 116.06 2krr s GLU 119 Ca -0.01 -1.25 0.01 0.00 0.04 0.00 0.00 54.97 53.76 2krr s GLU 119 Cb 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 34.13 33.84 2krr s GLU 119 CO 0.04 0.02 -0.03 0.42 -1.84 0.00 0.00 175.26 173.87 2krr s ILE 120 N -3.12 0.24 -0.23 1.83 1.09 -1.26 -2.84 121.20 116.90 2krr s ILE 120 Ca 0.09 -0.10 -0.08 0.00 -1.10 0.00 0.00 60.65 59.46 2krr s ILE 120 Cb 0.02 -0.22 0.10 0.00 -1.06 0.00 0.00 42.46 41.30 2krr s ILE 120 CO -0.03 0.08 0.49 -0.13 -0.10 0.00 0.00 174.94 175.26 2krr s ARG 121 N 0.09 0.41 0.34 2.79 1.81 -0.33 -5.02 118.95 119.05 2krr s ARG 121 Ca -0.01 1.17 -0.06 0.00 -1.72 0.00 0.00 55.73 55.11 2krr s ARG 121 Cb -0.03 0.50 -0.05 0.00 -0.45 0.00 0.00 34.95 34.91 2krr s ARG 121 CO -0.00 -0.23 0.63 -1.17 -0.68 0.00 0.00 175.30 173.85 2krr s LEU 122 N 2.68 3.96 -0.45 2.53 2.96 -1.26 0.31 118.68 129.40 2krr s LEU 122 Ca -0.03 0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 54.62 2krr s LEU 122 Cb -0.12 -3.68 0.10 0.00 0.50 0.00 0.00 46.19 42.99 2krr s LEU 122 CO -0.15 -0.29 0.31 -0.69 -1.32 0.00 0.00 176.35 174.21 2krr s VAL 123 N -2.23 4.27 -0.08 1.68 1.01 -1.03 -4.82 120.40 119.21 2krr s VAL 123 Ca 0.46 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 2krr s VAL 123 Cb -0.10 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2krr s VAL 123 CO 0.32 -0.64 0.19 -0.94 0.00 0.00 0.00 175.10 174.02 2krr s SER 124 N 2.42 -0.17 0.21 3.32 1.04 -1.26 -3.02 113.70 116.24 2krr s SER 124 Ca 0.04 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.95 2krr s SER 124 Cb -0.25 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 2krr s SER 124 CO 0.01 -0.15 -0.18 -0.75 0.98 0.00 0.00 173.24 173.15 2krr s LYS 125 N 1.09 1.42 -1.02 4.02 2.47 -0.90 -4.68 119.74 122.14 2krr s LYS 125 Ca -0.08 -1.56 0.00 0.00 -1.56 0.00 0.00 55.97 52.77 2krr s LYS 125 Cb -0.10 -1.44 0.00 0.00 -1.46 0.00 0.00 37.83 34.83 2krr s LYS 125 CO -0.06 0.28 0.00 -3.47 0.16 0.00 0.00 175.35 172.25 2krr n ASP 126 N -0.11 -5.13 -0.87 1.43 2.03 -1.26 -2.13 116.55 110.51 2krr n ASP 126 Ca -0.10 0.24 -0.04 0.00 0.52 0.00 0.00 54.79 55.41 2krr n ASP 126 Cb 0.58 -3.48 0.01 0.00 -0.72 0.00 0.00 41.12 37.52 2krr n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 127 N -0.50 0.60 3.62 0.27 0.00 -1.26 -5.05 105.19 102.87 2krr n GLY 127 Ca -0.10 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 2krr n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 128 N -4.98 0.83 0.50 1.61 0.00 -0.91 -5.15 119.74 111.64 2krr s LYS 128 Ca 0.08 0.90 -0.23 0.00 0.00 0.00 0.00 55.97 56.72 2krr s LYS 128 Cb -0.03 0.40 -0.06 0.00 0.00 0.00 0.00 37.83 38.14 2krr s LYS 128 CO 0.09 -0.12 1.29 0.45 0.00 0.00 0.00 175.35 177.06 2krr s SER 129 N 0.23 5.70 0.00 0.03 0.15 -1.25 -2.11 113.70 116.45 2krr s SER 129 Ca -0.01 2.60 0.17 0.00 0.70 0.00 0.00 55.95 59.42 2krr s SER 129 Cb -0.05 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 61.52 2krr s SER 129 CO 0.01 -1.26 0.80 0.29 1.20 0.00 0.00 173.24 174.28 2krr n LYS 130 N -0.70 1.40 -0.07 5.44 4.76 -1.17 -4.78 118.16 123.04 2krr n LYS 130 Ca 0.08 -0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 2krr n LYS 130 Cb 0.46 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2krr n GLY 131 N 1.35 1.86 3.46 0.72 0.00 -1.26 -5.06 105.19 106.25 2krr n GLY 131 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2krr n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2krr s ILE 132 N -2.00 0.04 -0.04 -0.61 -4.36 -1.26 -4.11 121.20 108.85 2krr s ILE 132 Ca 0.00 -0.85 -0.30 0.00 -0.26 0.00 0.00 60.65 59.25 2krr s ILE 132 Cb 0.00 -1.56 0.09 0.00 1.25 0.00 0.00 42.46 42.23 2krr s ILE 132 CO 0.00 -0.18 0.76 0.00 0.24 0.00 0.00 174.94 175.76 2krr s ALA 133 N -3.88 -1.79 0.10 2.27 0.00 -0.87 -2.46 121.76 115.13 2krr s ALA 133 Ca 0.10 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.39 2krr s ALA 133 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2krr s ALA 133 CO -0.04 -0.44 -0.22 0.71 0.00 0.00 0.00 175.76 175.77 2krr s TYR 134 N -1.68 2.43 -0.20 0.00 2.02 0.15 -0.05 117.35 120.02 2krr s TYR 134 Ca -0.06 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 2krr s TYR 134 Cb -0.00 -1.34 0.10 0.00 -0.40 0.00 0.00 41.96 40.32 2krr s TYR 134 CO 0.03 0.31 0.34 0.96 -1.57 0.00 0.00 175.55 175.62 2krr s ILE 135 N -1.03 -0.53 -0.47 2.71 -4.36 -0.19 -1.19 121.20 116.14 2krr s ILE 135 Ca 0.15 0.08 -0.21 0.00 -0.26 0.00 0.00 60.65 60.42 2krr s ILE 135 Cb -0.10 -0.66 0.04 0.00 1.25 0.00 0.00 42.46 42.99 2krr s ILE 135 CO 0.07 -0.02 0.67 -1.61 0.24 0.00 0.00 174.94 174.30 2krr s GLU 136 N 2.50 3.24 0.87 0.37 2.02 -1.13 -0.05 118.70 126.52 2krr s GLU 136 Ca 0.05 -0.52 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 2krr s GLU 136 Cb -0.14 -4.01 0.12 0.00 0.10 0.00 0.00 34.13 30.21 2krr s GLU 136 CO -0.13 -1.13 1.20 -0.06 0.02 0.00 0.00 175.26 175.16 2krr s PHE 137 N 2.90 2.52 0.02 1.61 0.40 -1.18 -1.74 117.98 122.52 2krr s PHE 137 Ca 0.21 0.67 -0.23 0.00 -0.60 0.00 0.00 56.93 56.98 2krr s PHE 137 Cb -0.15 -3.61 -0.16 0.00 0.51 0.00 0.00 43.02 39.60 2krr s PHE 137 CO 0.17 -2.12 1.39 0.87 0.70 0.00 0.00 175.22 176.23 2krr h LYS 138 N -1.30 0.14 -3.87 0.44 6.56 -1.94 -3.45 116.57 113.16 2krr h LYS 138 Ca -0.46 -0.06 -0.14 0.00 -1.06 0.00 0.00 60.65 58.93 2krr h LYS 138 Cb 1.31 -0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 32.78 2krr h LYS 138 CO 0.59 0.48 -0.58 -0.08 -2.06 0.00 0.00 179.45 177.80 2krr s THR 139 N -4.66 0.13 0.61 -0.16 -1.32 -1.26 -5.02 115.64 103.96 2krr s THR 139 Ca -0.15 -1.10 0.31 0.00 -1.21 0.00 0.00 61.69 59.55 2krr s THR 139 Cb 0.04 -0.77 0.36 0.00 -1.51 0.00 0.00 72.50 70.62 2krr s THR 139 CO 0.70 -0.60 2.08 -0.33 -2.21 0.00 0.00 174.62 174.26 2krr h GLU 140 N 3.90 0.00 -0.44 7.08 5.08 -1.88 0.23 114.58 128.55 2krr h GLU 140 Ca -0.32 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 2krr h GLU 140 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2krr h GLU 140 CO 0.49 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 178.26 2krr h ALA 141 N 1.68 0.75 0.03 3.43 0.00 -1.93 0.11 119.26 123.33 2krr h ALA 141 Ca 0.07 -0.39 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 2krr h ALA 141 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2krr h ALA 141 CO -0.00 0.66 -1.34 0.22 0.00 0.00 0.00 179.25 178.79 2krr h ASP 142 N 0.78 0.11 0.28 0.00 1.82 -1.42 -3.15 116.42 114.84 2krr h ASP 142 Ca 0.10 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2krr h ASP 142 Cb 0.79 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.77 2krr h ASP 142 CO 0.07 1.12 -0.13 0.00 -1.61 0.00 0.00 179.24 178.69 2krr h ALA 143 N 0.86 -0.37 -0.32 -0.78 0.00 -1.11 0.26 119.26 117.80 2krr h ALA 143 Ca -0.15 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.76 2krr h ALA 143 Cb 1.91 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2krr h ALA 143 CO 0.13 -0.35 0.32 1.05 0.00 0.00 0.00 179.25 180.39 2krr h GLU 144 N -1.09 0.00 0.00 0.00 4.11 -0.95 -1.67 114.58 114.98 2krr h GLU 144 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 2krr h GLU 144 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2krr h GLU 144 CO 0.06 0.00 -0.80 -0.22 0.07 0.00 0.00 179.01 178.13 2krr h LYS 145 N 0.00 0.00 -0.38 1.06 3.64 -1.59 -3.34 116.57 115.96 2krr h LYS 145 Ca 0.15 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.64 2krr h LYS 145 Cb 0.79 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2krr h LYS 145 CO -0.00 0.92 0.48 1.15 -2.27 0.00 0.00 179.45 179.73 2krr h THR 146 N -1.00 0.29 -0.14 1.00 2.02 0.09 -0.96 112.91 114.22 2krr h THR 146 Ca -0.21 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.99 2krr h THR 146 Cb 1.13 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2krr h THR 146 CO -0.13 0.00 -0.47 0.15 0.37 0.00 0.00 175.52 175.44 2krr h PHE 147 N 0.00 -1.39 0.00 3.16 3.57 -1.45 0.31 116.94 121.13 2krr h PHE 147 Ca 0.18 0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.57 2krr h PHE 147 Cb 1.14 0.63 -0.03 0.00 2.79 0.00 0.00 35.95 40.48 2krr h PHE 147 CO 0.00 -0.46 -1.15 1.05 -2.23 0.00 0.00 178.31 175.52 2krr h GLU 148 N -0.49 0.00 0.31 1.11 4.11 -1.66 -2.64 114.58 115.32 2krr h GLU 148 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2krr h GLU 148 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2krr h GLU 148 CO -0.39 0.45 -0.15 0.93 0.07 0.00 0.00 179.01 179.93 2krr h GLU 149 N 0.00 -0.40 0.05 1.06 4.39 -0.92 -3.16 114.58 115.60 2krr h GLU 149 Ca -0.12 0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.38 2krr h GLU 149 Cb 1.60 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.33 2krr h GLU 149 CO 0.06 -0.21 -1.04 0.87 -1.16 0.00 0.00 179.01 177.54 2krr h LYS 150 N -0.50 0.20 -6.56 2.33 6.56 -0.54 -3.46 116.57 114.59 2krr h LYS 150 Ca -0.04 -0.28 -0.59 0.00 -1.06 0.00 0.00 60.65 58.68 2krr h LYS 150 Cb 0.38 0.10 0.15 0.00 -0.57 0.00 0.00 32.23 32.28 2krr h LYS 150 CO 0.07 1.07 -0.09 0.94 -2.06 0.00 0.00 179.45 179.39 2krr n GLN 151 N -3.56 0.93 0.00 3.15 7.27 -1.00 -3.80 117.38 120.38 2krr n GLN 151 Ca -0.05 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.36 2krr n GLN 151 Cb 0.91 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 31.70 2krr n GLN 151 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2krr n GLY 152 N 1.46 1.08 3.88 1.69 0.00 -1.26 -4.93 105.19 107.11 2krr n GLY 152 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2krr n GLY 152 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2krr s THR 153 N -2.00 3.86 0.04 2.61 -1.32 -1.25 -5.04 115.64 112.55 2krr s THR 153 Ca 0.00 0.60 0.08 0.00 -1.21 0.00 0.00 61.69 61.17 2krr s THR 153 Cb 0.00 -3.58 -0.03 0.00 -1.51 0.00 0.00 72.50 67.38 2krr s THR 153 CO 0.00 -0.79 -0.23 -1.61 -2.21 0.00 0.00 174.62 169.78 2krr s GLU 154 N -5.29 1.55 -0.19 7.08 2.02 -1.26 -3.57 118.70 119.04 2krr s GLU 154 Ca 0.57 -1.01 -0.13 0.00 0.02 0.00 0.00 54.97 54.42 2krr s GLU 154 Cb -0.11 -1.69 0.06 0.00 0.10 0.00 0.00 34.13 32.48 2krr s GLU 154 CO 0.53 0.44 0.48 0.42 0.02 0.00 0.00 175.26 177.14 2krr s ILE 155 N -0.80 -0.01 -1.74 -1.63 1.09 0.86 -4.88 121.20 114.08 2krr s ILE 155 Ca 0.09 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.69 2krr s ILE 155 Cb -0.09 -0.69 0.00 0.00 -1.06 0.00 0.00 42.46 40.61 2krr s ILE 155 CO 0.02 0.02 0.00 -0.67 -0.10 0.00 0.00 174.94 174.21 2krr n ASP 156 N 3.70 -5.12 0.00 3.58 -0.08 -1.26 -1.34 116.55 116.04 2krr n ASP 156 Ca -0.19 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2krr n ASP 156 Cb 0.56 -4.17 0.00 0.00 2.34 0.00 0.00 41.12 39.85 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krr n GLY 157 N -0.89 2.38 2.56 0.27 0.00 -1.26 -5.01 105.19 103.24 2krr n GLY 157 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2krr n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -2.00 0.87 -4.10 1.61 1.85 -0.45 -5.11 116.66 109.34 2krr n ARG 158 Ca 0.00 -2.21 -0.33 0.00 -1.00 0.00 0.00 57.85 54.31 2krr n ARG 158 Cb 0.00 0.10 -0.16 0.00 -1.05 0.00 0.00 32.46 31.36 2krr n ARG 158 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2krr s SER 159 N -3.24 3.68 0.16 2.89 0.01 -1.26 -0.10 113.70 115.84 2krr s SER 159 Ca 0.28 -0.96 -0.30 0.00 1.31 0.00 0.00 55.95 56.27 2krr s SER 159 Cb -0.02 -1.51 -0.07 0.00 0.21 0.00 0.00 66.02 64.63 2krr s SER 159 CO 0.18 -0.08 1.11 0.27 0.41 0.00 0.00 173.24 175.12 2krr s ILE 160 N 1.21 3.93 0.06 1.44 -4.36 -1.23 -4.88 121.20 117.37 2krr s ILE 160 Ca -0.01 1.61 0.03 0.00 -0.26 0.00 0.00 60.65 62.02 2krr s ILE 160 Cb -0.16 -4.03 -0.04 0.00 1.25 0.00 0.00 42.46 39.48 2krr s ILE 160 CO -0.10 0.25 0.06 -0.94 0.24 0.00 0.00 174.94 174.46 2krr s SER 161 N 0.09 5.44 0.05 4.36 1.04 -0.15 -4.52 113.70 120.02 2krr s SER 161 Ca 0.51 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 57.00 2krr s SER 161 Cb -0.29 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 2krr s SER 161 CO 0.34 0.20 -0.20 -0.76 0.98 0.00 0.00 173.24 173.80 2krr s LEU 162 N -2.21 2.19 -0.14 2.42 1.02 -1.26 -0.04 118.68 120.66 2krr s LEU 162 Ca 0.27 -0.54 -0.06 0.00 0.02 0.00 0.00 54.13 53.81 2krr s LEU 162 Cb -0.12 -0.91 0.06 0.00 0.02 0.00 0.00 46.19 45.24 2krr s LEU 162 CO 0.19 0.12 0.32 -0.31 0.02 0.00 0.00 176.35 176.69 2krr s TYR 163 N -0.87 -0.50 0.27 0.29 2.02 0.86 -4.91 117.35 114.51 2krr s TYR 163 Ca 0.06 1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 57.55 2krr s TYR 163 Cb -0.09 0.11 -0.10 0.00 -0.40 0.00 0.00 41.96 41.48 2krr s TYR 163 CO 0.02 -0.34 1.36 1.52 -1.57 0.00 0.00 175.55 176.54 2krr s TYR 164 N 1.88 3.09 0.00 2.71 -0.85 -1.26 0.03 117.35 122.94 2krr s TYR 164 Ca -0.05 1.23 0.00 0.00 -0.52 0.00 0.00 57.07 57.73 2krr s TYR 164 Cb -0.11 -3.71 0.00 0.00 0.38 0.00 0.00 41.96 38.52 2krr s TYR 164 CO -0.10 -2.16 0.00 -2.37 -1.52 0.00 0.00 175.55 169.40 2krr n THR 165 N 1.77 0.00 0.02 -3.49 5.66 -0.37 -4.82 114.28 113.06 2krr n THR 165 Ca 0.04 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.07 2krr n THR 165 Cb 0.41 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.26 2krr n THR 165 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2krr n GLY 166 N 0.00 1.58 1.29 1.09 0.00 0.85 -4.47 105.19 105.54 2krr n GLY 166 Ca 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 46.02 45.99 2krr n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2krr n GLU 167 N 0.14 -2.97 -1.53 1.61 1.02 -1.26 -4.89 120.64 112.76 2krr n GLU 167 Ca 0.05 2.42 -0.32 0.00 -0.02 0.00 0.00 57.16 59.29 2krr n GLU 167 Cb 0.28 -3.48 0.07 0.00 -0.02 0.00 0.00 31.44 28.29 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2krr s PRO 168 N -4.09 2.55 0.87 3.49 0.04 -1.26 -4.79 135.00 131.81 2krr s PRO 168 Ca 0.00 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 2krr s PRO 168 Cb 0.00 -1.93 0.19 0.00 0.04 0.00 0.00 34.50 32.80 2krr s PRO 168 CO 0.00 -1.43 1.19 1.63 0.04 0.00 0.00 177.00 178.43 2krr n LYS 169 N -2.92 -0.79 0.00 4.56 4.76 -1.26 -4.74 118.16 117.76 2krr n LYS 169 Ca 0.10 -2.34 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 2krr n LYS 169 Cb 0.52 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2krr n GLY 170 N -3.25 1.30 0.26 0.72 0.00 -1.26 -5.00 105.19 97.96 2krr n GLY 170 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2krr n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2krr h GLU 171 N 1.41 0.46 0.00 1.61 9.09 -2.03 -3.37 114.58 121.76 2krr h GLU 171 Ca 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 59.31 2krr h GLU 171 Cb 0.00 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 2krr h GLU 171 CO 0.00 0.52 -0.15 0.41 0.05 0.00 0.00 179.01 179.85 2krr n GLY 172 N -0.85 0.50 0.04 1.06 0.00 -1.26 -4.97 105.19 99.70 2krr n GLY 172 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2krr n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2krr h LEU 173 N 0.00 0.00 0.00 0.99 3.38 -1.97 -3.56 115.31 114.15 2krr h LEU 173 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2krr h LEU 173 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2krr h LEU 173 CO 0.00 0.38 0.00 1.21 0.09 0.00 0.00 178.44 180.12