#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr h THR 2 N 0.00 1.07 0.61 2.61 1.03 -2.01 -3.34 112.91 112.88 2krr h THR 2 Ca 0.00 -2.47 -0.02 0.00 -0.01 0.00 0.00 66.41 63.91 2krr h THR 2 Cb 0.00 2.50 -0.01 0.00 -1.07 0.00 0.00 68.15 69.56 2krr h THR 2 CO 0.00 0.60 -0.49 -0.33 -0.01 0.00 0.00 175.52 175.30 2krr h GLU 3 N 0.00 -1.02 -7.35 0.00 4.39 -2.06 -3.44 114.58 105.10 2krr h GLU 3 Ca -0.01 0.07 -0.46 0.00 0.34 0.00 0.00 59.36 59.30 2krr h GLU 3 Cb 1.45 0.23 0.16 0.00 -0.10 0.00 0.00 28.75 30.49 2krr h GLU 3 CO 0.08 -0.68 0.21 -1.25 -1.16 0.00 0.00 179.01 176.21 2krr s PRO 4 N -5.77 0.60 -0.20 2.33 0.04 -1.26 -5.01 135.00 125.74 2krr s PRO 4 Ca -0.18 0.59 0.10 0.00 0.04 0.00 0.00 61.00 61.55 2krr s PRO 4 Cb 0.04 -1.75 -0.22 0.00 0.04 0.00 0.00 34.50 32.60 2krr s PRO 4 CO 0.58 -2.63 0.05 -2.37 0.04 0.00 0.00 177.00 172.66 2krr n THR 5 N -4.12 1.48 -4.67 1.26 5.66 -1.26 -4.92 114.28 107.71 2krr n THR 5 Ca 0.06 -0.74 -0.30 0.00 -3.05 0.00 0.00 64.05 60.02 2krr n THR 5 Cb 0.57 -0.94 -0.09 0.00 -1.55 0.00 0.00 70.33 68.32 2krr n THR 5 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2krr s THR 6 N -2.52 1.37 -0.40 1.09 -1.32 -1.26 -5.03 115.64 107.57 2krr s THR 6 Ca -0.19 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.28 2krr s THR 6 Cb 0.07 -2.50 0.26 0.00 -1.51 0.00 0.00 72.50 68.82 2krr s THR 6 CO 0.75 0.00 2.05 0.00 -2.21 0.00 0.00 174.62 175.20 2krr n ALA 7 N -1.09 5.42 -3.45 11.08 0.00 -1.26 -4.61 120.51 126.61 2krr n ALA 7 Ca -0.12 -2.09 -0.27 0.00 0.00 0.00 0.00 53.44 50.96 2krr n ALA 7 Cb 0.67 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2krr n ALA 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2krr n PHE 8 N 0.09 0.41 -4.29 0.00 3.72 -1.26 -4.95 117.46 111.18 2krr n PHE 8 Ca 0.38 -3.63 -0.22 0.00 -0.05 0.00 0.00 57.45 53.92 2krr n PHE 8 Cb 0.59 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.90 2krr n PHE 8 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2krr s ASN 9 N -0.74 2.48 0.05 4.37 0.02 -1.26 -0.08 114.94 119.78 2krr s ASN 9 Ca 0.32 -0.75 0.04 0.00 -1.02 0.00 0.00 52.86 51.45 2krr s ASN 9 Cb 0.06 -0.13 -0.02 0.00 0.02 0.00 0.00 41.25 41.17 2krr s ASN 9 CO -0.16 0.00 -0.12 -1.48 0.02 0.00 0.00 177.10 175.37 2krr s LEU 10 N -2.19 2.23 -0.28 0.60 0.05 -0.50 -4.83 118.68 113.76 2krr s LEU 10 Ca 0.09 -0.53 -0.27 0.00 0.05 0.00 0.00 54.13 53.47 2krr s LEU 10 Cb -0.08 -0.41 0.01 0.00 -2.05 0.00 0.00 46.19 43.65 2krr s LEU 10 CO 0.05 -0.08 0.97 0.12 -0.55 0.00 0.00 176.35 176.85 2krr s PHE 11 N -1.15 3.24 0.27 3.48 2.19 0.86 -1.39 117.98 125.48 2krr s PHE 11 Ca -0.03 1.19 0.09 0.00 0.33 0.00 0.00 56.93 58.51 2krr s PHE 11 Cb -0.09 -3.38 -0.04 0.00 -1.31 0.00 0.00 43.02 38.20 2krr s PHE 11 CO 0.01 -0.59 0.02 0.14 1.83 0.00 0.00 175.22 176.64 2krr s VAL 12 N 3.26 3.52 0.32 3.12 -7.23 0.90 0.97 120.40 125.26 2krr s VAL 12 Ca 0.41 -1.85 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 2krr s VAL 12 Cb -0.14 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.91 2krr s VAL 12 CO 0.11 -0.36 0.48 0.61 -0.31 0.00 0.00 175.10 175.63 2krr n GLY 13 N -0.94 2.04 3.58 2.32 0.00 0.14 -0.94 105.19 111.40 2krr n GLY 13 Ca -0.06 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 2krr n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2krr n ASN 14 N -1.64 -4.05 -1.62 1.61 5.15 0.80 -0.17 115.26 115.34 2krr n ASN 14 Ca -0.01 -0.87 0.08 0.00 -0.60 0.00 0.00 54.58 53.19 2krr n ASN 14 Cb 0.53 -4.10 0.36 0.00 -0.53 0.00 0.00 39.78 36.05 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 -3.98 5.01 -1.25 1.20 4.77 -0.40 -3.37 117.00 118.99 2krr n LEU 15 Ca -0.17 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 2krr n LEU 15 Cb 0.63 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2krr n LEU 15 CO 0.66 0.73 -0.33 -3.20 -1.33 0.00 0.00 177.39 173.91 2krr n ASN 16 N 0.78 -6.96 -3.68 -1.43 5.15 -1.26 -4.87 115.26 102.98 2krr n ASN 16 Ca 0.26 0.93 -0.32 0.00 -0.60 0.00 0.00 54.58 54.85 2krr n ASN 16 Cb 1.00 -3.24 -0.06 0.00 -0.53 0.00 0.00 39.78 36.95 2krr n ASN 16 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2krr n PHE 17 N -0.26 3.34 0.00 1.20 -1.74 -1.25 -4.45 117.46 114.30 2krr n PHE 17 Ca 0.00 -3.75 0.00 0.00 -0.56 0.00 0.00 57.45 53.14 2krr n PHE 17 Cb 0.00 -0.82 0.00 0.00 1.52 0.00 0.00 39.48 40.18 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 1.20 0.01 -4.25 5.98 3.02 -1.26 -5.06 115.26 114.90 2krr n ASN 18 Ca 0.27 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 2krr n ASN 18 Cb 0.38 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.72 2krr n ASN 18 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2krr s LYS 19 N -1.26 0.87 1.19 3.52 1.02 -1.26 -5.07 119.74 118.75 2krr s LYS 19 Ca 0.00 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.15 2krr s LYS 19 Cb 0.00 -1.98 0.28 0.00 -0.52 0.00 0.00 37.83 35.61 2krr s LYS 19 CO 0.00 -2.18 1.08 -1.12 -0.92 0.00 0.00 175.35 172.21 2krr s SER 20 N -4.87 0.98 -0.01 2.83 0.01 -1.26 -4.93 113.70 106.45 2krr s SER 20 Ca 0.72 0.80 -0.22 0.00 1.31 0.00 0.00 55.95 58.56 2krr s SER 20 Cb -0.04 -1.16 -0.12 0.00 0.21 0.00 0.00 66.02 64.91 2krr s SER 20 CO 0.51 -4.11 0.92 0.00 0.41 0.00 0.00 173.24 170.97 2krr h ALA 21 N -2.57 -0.80 0.00 1.44 0.00 -1.97 -3.16 119.26 112.20 2krr h ALA 21 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2krr h ALA 21 Cb 1.31 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2krr h ALA 21 CO 0.39 -0.74 0.00 -0.35 0.00 0.00 0.00 179.25 178.54 2krr n PRO 22 N -5.25 0.15 0.16 0.00 -0.04 -1.26 -2.20 135.00 126.57 2krr n PRO 22 Ca -0.10 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2krr n PRO 22 Cb 0.31 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.45 2krr n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2krr h GLU 23 N 0.00 0.00 0.09 0.54 4.57 -1.91 -3.30 114.58 114.57 2krr h GLU 23 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 2krr h GLU 23 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2krr h GLU 23 CO 0.00 0.00 -1.53 -0.07 -1.18 0.00 0.00 179.01 176.23 2krr h LEU 24 N 0.00 0.31 -1.00 1.64 3.38 -1.45 -3.34 115.31 114.85 2krr h LEU 24 Ca 0.00 -0.45 0.19 0.00 0.09 0.00 0.00 57.88 57.71 2krr h LEU 24 Cb 0.93 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 2krr h LEU 24 CO 0.00 1.38 0.61 0.11 0.09 0.00 0.00 178.44 180.63 2krr h LYS 25 N 0.05 0.73 0.71 1.13 1.57 -1.66 -1.38 116.57 117.72 2krr h LYS 25 Ca -0.24 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2krr h LYS 25 Cb 1.99 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 34.14 2krr h LYS 25 CO 0.15 0.48 -0.46 1.15 -0.57 0.00 0.00 179.45 180.20 2krr h THR 26 N 0.75 0.00 -0.64 -0.16 2.02 -1.72 -1.16 112.91 112.01 2krr h THR 26 Ca 0.58 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.87 2krr h THR 26 Cb 0.92 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.25 2krr h THR 26 CO -0.39 0.00 0.24 1.23 0.37 0.00 0.00 175.52 176.97 2krr h GLY 27 N -1.10 0.91 0.56 2.16 0.00 -1.58 0.29 103.07 104.31 2krr h GLY 27 Ca -0.09 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.15 2krr h GLY 27 CO 0.08 -0.04 -0.08 -2.22 0.00 0.00 0.00 176.54 174.28 2krr h ILE 28 N 0.41 0.73 0.00 2.60 2.04 -1.13 -0.61 117.51 121.55 2krr h ILE 28 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2krr h ILE 28 Cb 0.43 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2krr h ILE 28 CO -0.33 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.59 2krr h SER 29 N -0.06 0.00 0.38 1.72 4.64 -0.56 -3.18 113.55 116.49 2krr h SER 29 Ca 0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2krr h SER 29 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2krr h SER 29 CO -0.22 0.00 -0.18 -0.78 -0.87 0.00 0.00 176.83 174.78 2krr h ASP 30 N 0.00 -0.44 -1.01 4.97 1.82 0.96 -1.89 116.42 120.84 2krr h ASP 30 Ca 0.00 -0.04 0.23 0.00 -0.39 0.00 0.00 57.03 56.83 2krr h ASP 30 Cb 0.60 0.11 -0.12 0.00 0.68 0.00 0.00 39.33 40.60 2krr h ASP 30 CO 0.00 0.01 0.60 1.62 -1.61 0.00 0.00 179.24 179.86 2krr h VAL 31 N -1.10 0.59 -0.18 2.25 3.04 -1.22 0.26 116.25 119.89 2krr h VAL 31 Ca -0.05 -0.22 -0.14 0.00 -1.01 0.00 0.00 66.70 65.27 2krr h VAL 31 Cb 0.45 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2krr h VAL 31 CO 0.09 0.12 -0.49 -0.26 -1.01 0.00 0.00 177.57 176.02 2krr h PHE 32 N 0.64 0.60 0.00 3.17 0.04 -1.60 -2.80 116.94 116.99 2krr h PHE 32 Ca 0.62 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 61.19 2krr h PHE 32 Cb 1.12 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2krr h PHE 32 CO -0.01 0.89 -0.03 0.00 -0.60 0.00 0.00 178.31 178.56 2krr h ALA 33 N 1.08 1.18 0.00 2.45 0.00 0.36 -0.01 119.26 124.32 2krr h ALA 33 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2krr h ALA 33 Cb 1.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2krr h ALA 33 CO 0.09 0.03 -0.62 1.57 0.00 0.00 0.00 179.25 180.32 2krr h LYS 34 N 0.00 0.00 -0.82 0.00 2.10 -1.17 -3.27 116.57 113.42 2krr h LYS 34 Ca -0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 2krr h LYS 34 Cb 0.14 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.36 2krr h LYS 34 CO 0.00 0.22 0.23 0.09 -2.00 0.00 0.00 179.45 178.00 2krr n ASN 35 N -3.02 4.20 -1.86 7.07 3.02 -0.32 -4.86 115.26 119.49 2krr n ASN 35 Ca 0.00 -2.97 -0.17 0.00 -0.03 0.00 0.00 54.58 51.41 2krr n ASN 35 Cb 0.66 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 2krr n ASN 35 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2krr n ASP 36 N -0.09 -5.02 -4.54 6.41 2.03 -1.20 -4.99 116.55 109.16 2krr n ASP 36 Ca 0.33 0.04 -0.34 0.00 0.52 0.00 0.00 54.79 55.34 2krr n ASP 36 Cb 1.19 -4.10 -0.12 0.00 -0.72 0.00 0.00 41.12 37.37 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2krr s LEU 37 N -4.77 3.12 -0.26 -2.67 1.43 -0.17 -5.02 118.68 110.34 2krr s LEU 37 Ca 0.00 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2krr s LEU 37 Cb 0.00 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.58 2krr s LEU 37 CO 0.00 0.30 -0.10 0.00 0.23 0.00 0.00 176.35 176.78 2krr s ALA 38 N -0.44 2.59 0.14 4.21 0.00 -1.26 -3.11 121.76 123.90 2krr s ALA 38 Ca 0.06 -1.67 -0.20 0.00 0.00 0.00 0.00 51.96 50.15 2krr s ALA 38 Cb -0.12 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 2krr s ALA 38 CO 0.02 -1.07 0.65 0.14 0.00 0.00 0.00 175.76 175.49 2krr s VAL 39 N 1.17 4.64 -0.07 0.00 -7.23 -1.26 -3.48 120.40 114.18 2krr s VAL 39 Ca -0.06 1.26 0.14 0.00 -1.81 0.00 0.00 61.98 61.51 2krr s VAL 39 Cb -0.19 -3.90 -0.20 0.00 0.56 0.00 0.00 36.38 32.64 2krr s VAL 39 CO -0.05 0.40 0.70 1.33 -0.31 0.00 0.00 175.10 177.16 2krr n VAL 40 N 1.26 1.49 -3.62 1.32 0.24 0.51 -4.90 118.33 114.63 2krr n VAL 40 Ca -0.06 -0.77 -0.10 0.00 -2.04 0.00 0.00 64.34 61.37 2krr n VAL 40 Cb 0.51 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 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 -5.99 -0.43 -0.05 -1.34 2.15 -1.19 -4.99 116.67 104.83 2krr s ASP 41 Ca -0.04 0.73 0.03 0.00 0.43 0.00 0.00 52.55 53.70 2krr s ASP 41 Cb 0.08 0.70 0.00 0.00 -0.30 0.00 0.00 42.92 43.41 2krr s ASP 41 CO 0.82 -0.21 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.77 2krr s VAL 42 N -0.19 1.29 0.07 1.11 1.01 -1.26 -0.05 120.40 122.37 2krr s VAL 42 Ca 0.01 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.48 2krr s VAL 42 Cb -0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2krr s VAL 42 CO -0.04 0.38 -0.26 -0.60 0.00 0.00 0.00 175.10 174.58 2krr s ARG 43 N 0.24 1.68 -0.04 2.72 6.06 -0.35 -4.92 118.95 124.33 2krr s ARG 43 Ca -0.07 -1.17 0.04 0.00 -2.50 0.00 0.00 55.73 52.02 2krr s ARG 43 Cb -0.12 -1.94 -0.00 0.00 0.06 0.00 0.00 34.95 32.94 2krr s ARG 43 CO 0.03 0.49 -0.16 0.42 -2.50 0.00 0.00 175.30 173.58 2krr s ILE 44 N -0.88 1.32 0.50 4.11 1.09 -1.26 0.05 121.20 126.14 2krr s ILE 44 Ca 0.12 -0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 58.94 2krr s ILE 44 Cb -0.10 -1.15 0.13 0.00 -1.06 0.00 0.00 42.46 40.28 2krr s ILE 44 CO 0.03 0.39 0.29 0.61 -0.10 0.00 0.00 174.94 176.16 2krr n GLY 45 N 3.22 -3.67 0.09 6.18 0.00 0.12 -4.88 105.19 106.25 2krr n GLY 45 Ca -0.18 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 2krr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krr h MET 46 N 0.00 0.17 0.00 1.61 -0.00 -2.01 -3.20 114.93 111.50 2krr h MET 46 Ca -0.13 -0.28 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 2krr h MET 46 Cb 0.45 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2krr h MET 46 CO 0.08 1.12 0.00 -2.37 -0.00 0.00 0.00 176.91 175.74 2krr n THR 47 N -3.45 0.79 -1.79 -0.10 5.66 -1.26 -4.86 114.28 109.27 2krr n THR 47 Ca -0.06 0.19 -0.20 0.00 -3.05 0.00 0.00 64.05 60.93 2krr n THR 47 Cb 1.00 -0.90 -0.07 0.00 -1.55 0.00 0.00 70.33 68.81 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 -1.56 -1.52 -0.00 1.09 5.12 -1.21 -4.79 116.66 113.80 2krr n ARG 48 Ca 0.04 1.12 0.05 0.00 -1.93 0.00 0.00 57.85 57.14 2krr n ARG 48 Cb 0.21 -5.57 -0.07 0.00 -1.16 0.00 0.00 32.46 25.87 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2krr n LYS 49 N -2.50 1.76 -4.03 5.56 0.00 -1.26 -3.77 118.16 113.93 2krr n LYS 49 Ca -0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 58.31 57.92 2krr n LYS 49 Cb 0.66 -1.13 -0.04 0.00 0.00 0.00 0.00 35.03 34.53 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2krr s PHE 50 N -2.38 0.73 -0.74 5.64 -0.71 -1.26 -0.14 117.98 119.12 2krr s PHE 50 Ca -0.01 -1.07 0.00 0.00 -1.04 0.00 0.00 56.93 54.82 2krr s PHE 50 Cb 0.07 0.12 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2krr s PHE 50 CO 0.42 -1.15 0.00 0.41 -1.34 0.00 0.00 175.22 173.56 2krr n GLY 51 N -0.50 -0.70 3.14 1.99 0.00 -0.11 0.14 105.19 109.14 2krr n GLY 51 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.66 0.74 -0.07 1.61 1.51 0.11 -0.07 117.35 117.52 2krr s TYR 52 Ca 0.00 -0.99 -0.01 0.00 -1.01 0.00 0.00 57.07 55.07 2krr s TYR 52 Cb 0.00 -0.46 0.03 0.00 -0.11 0.00 0.00 41.96 41.41 2krr s TYR 52 CO 0.00 -0.25 -0.01 0.08 -1.11 0.00 0.00 175.55 174.25 2krr s VAL 53 N -3.76 0.43 -0.16 0.71 1.01 -0.48 -1.21 120.40 116.94 2krr s VAL 53 Ca 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2krr s VAL 53 Cb 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2krr s VAL 53 CO -0.07 0.26 0.22 -1.81 0.00 0.00 0.00 175.10 173.69 2krr s ASP 54 N 1.73 6.37 0.17 3.32 1.01 0.92 -1.41 116.67 128.78 2krr s ASP 54 Ca 0.02 0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.78 2krr s ASP 54 Cb -0.13 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2krr s ASP 54 CO -0.04 0.19 -0.06 -0.36 0.21 0.00 0.00 175.17 175.11 2krr s PHE 55 N 0.11 2.72 0.15 4.23 0.40 0.88 -0.36 117.98 126.11 2krr s PHE 55 Ca 0.14 -0.18 -0.27 0.00 -0.60 0.00 0.00 56.93 56.02 2krr s PHE 55 Cb -0.12 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 2krr s PHE 55 CO 0.02 0.51 1.59 0.93 0.70 0.00 0.00 175.22 178.97 2krr h GLU 56 N 2.88 -0.35 -4.81 0.44 5.08 -1.87 -3.42 114.58 112.53 2krr h GLU 56 Ca -0.47 0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 57.63 2krr h GLU 56 Cb 1.20 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 2krr h GLU 56 CO 0.56 -0.24 -0.67 -1.12 -1.00 0.00 0.00 179.01 176.54 2krr s SER 57 N -4.99 1.25 0.54 1.42 0.01 -1.26 -4.92 113.70 105.74 2krr s SER 57 Ca -0.15 -1.16 0.31 0.00 1.31 0.00 0.00 55.95 56.26 2krr s SER 57 Cb 0.11 0.11 1.48 0.00 0.21 0.00 0.00 66.02 67.93 2krr s SER 57 CO 0.66 -0.56 1.90 0.00 0.41 0.00 0.00 173.24 175.65 2krr h ALA 58 N 2.70 2.82 0.43 1.44 0.00 -1.92 -1.77 119.26 122.94 2krr h ALA 58 Ca -0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2krr h ALA 58 Cb 1.20 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2krr h ALA 58 CO 0.63 -1.07 -0.44 0.93 0.00 0.00 0.00 179.25 179.30 2krr h GLU 59 N 0.00 -0.85 -0.90 0.00 5.08 -1.97 0.19 114.58 116.13 2krr h GLU 59 Ca 0.41 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2krr h GLU 59 Cb 1.65 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 31.05 2krr h GLU 59 CO -0.00 -0.57 0.54 -0.44 -1.00 0.00 0.00 179.01 177.54 2krr h ASP 60 N -0.88 1.08 0.21 1.42 3.32 -1.74 0.15 116.42 119.99 2krr h ASP 60 Ca -0.04 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2krr h ASP 60 Cb 0.78 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2krr h ASP 60 CO -0.07 0.84 -0.15 0.25 -1.72 0.00 0.00 179.24 178.38 2krr h LEU 61 N 1.24 -0.39 -1.00 1.55 6.46 -1.10 -2.59 115.31 119.48 2krr h LEU 61 Ca 0.32 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 58.02 2krr h LEU 61 Cb -0.04 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2krr h LEU 61 CO -0.06 -0.24 -0.29 -0.33 -0.62 0.00 0.00 178.44 176.90 2krr h GLU 62 N -0.37 0.36 -0.49 1.25 5.08 -0.44 -3.08 114.58 116.90 2krr h GLU 62 Ca -0.01 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2krr h GLU 62 Cb 0.32 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 2krr h GLU 62 CO -0.00 0.62 -0.02 0.87 -1.00 0.00 0.00 179.01 179.49 2krr h LYS 63 N 0.32 0.09 -0.47 2.33 1.57 -0.32 0.14 116.57 120.24 2krr h LYS 63 Ca 0.04 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 2krr h LYS 63 Cb 0.68 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2krr h LYS 63 CO 0.05 0.06 0.33 0.00 -0.57 0.00 0.00 179.45 179.32 2krr h ALA 64 N 1.44 2.31 0.00 3.86 0.00 -1.39 0.32 119.26 125.81 2krr h ALA 64 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2krr h ALA 64 Cb 0.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2krr h ALA 64 CO -0.42 -0.44 -0.00 -0.07 0.00 0.00 0.00 179.25 178.32 2krr h LEU 65 N 0.10 0.00 0.00 0.00 3.38 -0.82 -3.30 115.31 114.67 2krr h LEU 65 Ca 0.22 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 2krr h LEU 65 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2krr h LEU 65 CO -0.02 0.00 -0.97 -0.33 0.09 0.00 0.00 178.44 177.21 2krr h GLU 66 N 0.00 0.00 -7.15 1.13 4.39 0.02 -3.48 114.58 109.49 2krr h GLU 66 Ca -0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 2krr h GLU 66 Cb 0.73 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 29.59 2krr h GLU 66 CO 0.00 0.76 -0.03 -0.48 -1.16 0.00 0.00 179.01 178.10 2krr s LEU 67 N -7.99 -0.19 0.27 1.33 0.05 -0.36 -5.08 118.68 106.71 2krr s LEU 67 Ca -0.24 0.98 -0.05 0.00 0.05 0.00 0.00 54.13 54.86 2krr s LEU 67 Cb 0.04 -2.61 -0.01 0.00 -2.05 0.00 0.00 46.19 41.56 2krr s LEU 67 CO 0.50 -4.76 0.38 0.28 -0.55 0.00 0.00 176.35 172.20 2krr s THR 68 N -2.49 0.00 0.00 5.48 -1.32 -1.26 -4.93 115.64 111.11 2krr s THR 68 Ca 0.69 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2krr s THR 68 Cb -0.16 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 2krr s THR 68 CO 0.59 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2krr n GLY 69 N -0.43 0.70 3.56 6.08 0.00 -1.26 -5.04 105.19 108.79 2krr n GLY 69 Ca 0.01 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.41 4.30 0.02 0.99 1.43 -1.26 -5.06 118.68 117.70 2krr s LEU 70 Ca 0.00 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 2krr s LEU 70 Cb 0.00 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2krr s LEU 70 CO 0.00 -0.16 0.36 -1.59 0.23 0.00 0.00 176.35 175.20 2krr s LYS 71 N 1.75 0.82 -0.06 1.70 0.00 -1.26 -2.42 119.74 120.27 2krr s LYS 71 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 55.97 55.66 2krr s LYS 71 Cb -0.17 0.37 0.02 0.00 0.00 0.00 0.00 37.83 38.05 2krr s LYS 71 CO 0.11 -0.26 0.16 0.14 0.00 0.00 0.00 175.35 175.50 2krr s VAL 72 N -2.12 -0.01 -2.05 1.79 -7.23 0.92 -4.68 120.40 107.02 2krr s VAL 72 Ca -0.08 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 2krr s VAL 72 Cb -0.02 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.68 2krr s VAL 72 CO -0.00 0.01 0.00 0.49 -0.31 0.00 0.00 175.10 175.29 2krr n PHE 73 N 3.16 -0.29 0.00 2.82 3.72 -1.26 -2.04 117.46 123.56 2krr n PHE 73 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2krr n PHE 73 Cb 0.58 -3.54 0.00 0.00 -0.94 0.00 0.00 39.48 35.58 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 -0.54 3.01 3.77 1.37 0.00 -1.26 -5.03 105.19 106.51 2krr n GLY 74 Ca -0.21 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 6.66 -0.34 1.61 -0.87 -0.87 -5.00 114.94 116.12 2krr s ASN 75 Ca 0.00 2.18 -0.19 0.00 -1.57 0.00 0.00 52.86 53.27 2krr s ASN 75 Cb 0.00 -2.60 -0.00 0.00 -0.02 0.00 0.00 41.25 38.63 2krr s ASN 75 CO 0.00 -0.57 0.58 -0.70 -2.57 0.00 0.00 177.10 173.84 2krr s GLU 76 N -2.38 3.70 0.80 -0.60 2.12 -1.26 -0.06 118.70 121.02 2krr s GLU 76 Ca 0.57 0.01 -0.11 0.00 0.36 0.00 0.00 54.97 55.80 2krr s GLU 76 Cb -0.26 -3.79 0.07 0.00 0.26 0.00 0.00 34.13 30.41 2krr s GLU 76 CO 0.33 -0.66 1.10 0.96 -0.54 0.00 0.00 175.26 176.44 2krr s ILE 77 N 2.55 3.13 -0.13 -3.70 -5.25 -1.02 -4.77 121.20 112.01 2krr s ILE 77 Ca 0.22 0.37 0.02 0.00 -0.99 0.00 0.00 60.65 60.27 2krr s ILE 77 Cb -0.15 -2.81 0.01 0.00 2.95 0.00 0.00 42.46 42.46 2krr s ILE 77 CO 0.14 -0.48 -0.20 -0.54 -1.79 0.00 0.00 174.94 172.07 2krr s LYS 78 N -4.88 2.74 -0.08 0.37 1.02 0.76 -4.83 119.74 114.85 2krr s LYS 78 Ca 0.62 -0.75 -0.13 0.00 0.02 0.00 0.00 55.97 55.73 2krr s LYS 78 Cb -0.18 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 2krr s LYS 78 CO 0.56 -0.03 0.32 -0.51 -0.92 0.00 0.00 175.35 174.78 2krr s LEU 79 N 0.87 4.38 0.23 3.17 1.02 -1.26 0.27 118.68 127.36 2krr s LEU 79 Ca -0.07 0.72 -0.14 0.00 0.02 0.00 0.00 54.13 54.66 2krr s LEU 79 Cb -0.15 -2.42 0.00 0.00 0.02 0.00 0.00 46.19 43.64 2krr s LEU 79 CO -0.02 0.26 0.50 -1.61 0.02 0.00 0.00 176.35 175.51 2krr s GLU 80 N -0.54 1.51 -0.15 1.70 2.02 0.27 -4.99 118.70 118.53 2krr s GLU 80 Ca 0.20 -1.14 -0.07 0.00 0.02 0.00 0.00 54.97 53.98 2krr s GLU 80 Cb -0.15 0.49 -0.04 0.00 0.10 0.00 0.00 34.13 34.53 2krr s GLU 80 CO 0.09 -0.64 0.10 0.21 0.02 0.00 0.00 175.26 175.04 2krr s LYS 81 N -3.97 3.71 0.00 1.61 2.47 -1.26 -0.10 119.74 122.20 2krr s LYS 81 Ca 0.18 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 2krr s LYS 81 Cb -0.01 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.15 2krr s LYS 81 CO 0.06 0.52 0.00 -0.35 0.16 0.00 0.00 175.35 175.74 2krr n PRO 82 N 2.79 -0.78 -1.58 4.03 -0.04 -1.26 -4.80 135.00 133.35 2krr n PRO 82 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2krr n PRO 82 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2krr n PRO 82 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2krr n LYS 83 N -1.33 1.27 0.00 0.54 4.81 -1.26 -4.67 118.16 117.52 2krr n LYS 83 Ca 0.00 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 2krr n LYS 83 Cb 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2krr n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2krr n GLY 84 N 1.27 -0.47 2.61 3.14 0.00 -1.26 -5.02 105.19 105.45 2krr n GLY 84 Ca 0.10 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2krr n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2krr n LYS 85 N 0.00 0.45 -2.02 1.61 5.02 -1.26 -5.15 118.16 116.81 2krr n LYS 85 Ca 0.00 -2.44 -0.29 0.00 -2.02 0.00 0.00 58.31 53.56 2krr n LYS 85 Cb 0.00 -1.52 0.14 0.00 -0.02 0.00 0.00 35.03 33.63 2krr n LYS 85 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2krr s ASP 86 N 0.28 3.74 0.17 4.39 -4.77 -1.26 -4.99 116.67 114.23 2krr s ASP 86 Ca 0.31 0.34 0.24 0.00 -3.30 0.00 0.00 52.55 50.14 2krr s ASP 86 Cb 0.04 -0.59 0.25 0.00 -1.09 0.00 0.00 42.92 41.53 2krr s ASP 86 CO -0.12 -2.33 1.26 0.28 0.70 0.00 0.00 175.17 174.96 2krr h SER 87 N -1.28 0.00 -0.00 2.11 0.02 -2.01 -3.32 113.55 109.07 2krr h SER 87 Ca -0.44 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2krr h SER 87 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2krr h SER 87 CO 0.47 0.07 0.03 0.11 -1.14 0.00 0.00 176.83 176.37 2krr h LYS 88 N 0.00 0.00 -1.00 3.45 1.79 -1.99 -2.15 116.57 116.67 2krr h LYS 88 Ca 0.00 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.74 2krr h LYS 88 Cb 0.84 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 2krr h LYS 88 CO 0.00 0.00 0.69 0.87 -1.08 0.00 0.00 179.45 179.93 2krr h LYS 89 N 0.00 0.16 -0.96 3.15 1.57 -1.86 0.17 116.57 118.81 2krr h LYS 89 Ca 0.00 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.96 2krr h LYS 89 Cb 0.07 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 2krr h LYS 89 CO -0.00 0.11 0.61 0.93 -0.57 0.00 0.00 179.45 180.53 2krr h GLU 90 N 0.17 0.59 0.00 3.15 5.08 -1.40 0.26 114.58 122.43 2krr h GLU 90 Ca 0.51 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2krr h GLU 90 Cb 1.70 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 2krr h GLU 90 CO -0.11 0.39 -0.55 0.00 -1.00 0.00 0.00 179.01 177.75 2krr h ARG 91 N 0.61 0.00 0.00 2.33 2.47 -0.91 -3.15 114.38 115.73 2krr h ARG 91 Ca 0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.24 2krr h ARG 91 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2krr h ARG 91 CO -0.27 0.55 0.00 -0.25 0.56 0.00 0.00 179.97 180.56 2krr n ASP 92 N -3.25 0.58 0.07 7.04 9.92 0.91 -2.58 116.55 129.24 2krr n ASP 92 Ca 0.02 0.68 0.20 0.00 -0.53 0.00 0.00 54.79 55.16 2krr n ASP 92 Cb 0.75 -0.79 0.74 0.00 -0.64 0.00 0.00 41.12 41.17 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krr h ALA 93 N 2.18 2.23 -0.77 2.24 0.00 -1.46 0.24 119.26 123.92 2krr h ALA 93 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2krr h ALA 93 Cb 0.23 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.81 2krr h ALA 93 CO 0.00 -0.62 0.51 -2.13 0.00 0.00 0.00 179.25 177.01 2krr n ARG 94 N -3.98 2.01 -3.85 0.00 0.63 -1.06 -4.69 116.66 105.70 2krr n ARG 94 Ca 0.08 -2.35 -0.12 0.00 -0.92 0.00 0.00 57.85 54.54 2krr n ARG 94 Cb 0.58 -1.92 -0.12 0.00 0.45 0.00 0.00 32.46 31.45 2krr n ARG 94 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2krr s THR 95 N -2.57 0.02 0.19 5.15 2.01 0.83 -3.13 115.64 118.14 2krr s THR 95 Ca 0.44 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.32 2krr s THR 95 Cb 0.37 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.63 2krr s THR 95 CO 0.09 -0.11 0.07 -0.76 -0.69 0.00 0.00 174.62 173.22 2krr s LEU 96 N -0.31 3.54 0.04 4.42 2.01 0.98 -3.39 118.68 125.97 2krr s LEU 96 Ca -0.04 -0.30 0.07 0.00 0.01 0.00 0.00 54.13 53.87 2krr s LEU 96 Cb -0.03 -2.16 -0.03 0.00 0.01 0.00 0.00 46.19 43.98 2krr s LEU 96 CO 0.00 0.06 -0.16 -0.22 1.01 0.00 0.00 176.35 177.04 2krr s LEU 97 N -3.16 2.69 -0.16 1.79 2.96 0.63 -0.79 118.68 122.65 2krr s LEU 97 Ca 0.30 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2krr s LEU 97 Cb -0.09 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2krr s LEU 97 CO 0.21 0.25 -0.07 0.00 -1.32 0.00 0.00 176.35 175.43 2krr s ALA 98 N -0.95 2.85 0.38 5.97 0.00 0.94 -0.10 121.76 130.85 2krr s ALA 98 Ca 0.15 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2krr s ALA 98 Cb -0.11 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2krr s ALA 98 CO 0.06 0.13 0.07 0.15 0.00 0.00 0.00 175.76 176.18 2krr s LYS 99 N 0.52 1.83 -1.58 0.00 1.02 -0.15 -2.26 119.74 119.11 2krr s LYS 99 Ca -0.05 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 53.86 2krr s LYS 99 Cb -0.15 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.26 2krr s LYS 99 CO 0.03 -0.30 0.00 -1.71 -0.92 0.00 0.00 175.35 172.45 2krr n ASN 100 N -0.98 -4.87 -4.81 2.83 5.15 -1.26 -2.36 115.26 108.95 2krr n ASN 100 Ca -0.06 0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.79 2krr n ASN 100 Cb 0.66 -3.86 -0.06 0.00 -0.53 0.00 0.00 39.78 35.99 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 -3.99 4.50 0.88 1.20 1.43 -1.20 -4.55 118.68 116.95 2krr s LEU 101 Ca 0.00 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 2krr s LEU 101 Cb 0.00 -3.05 0.12 0.00 0.03 0.00 0.00 46.19 43.29 2krr s LEU 101 CO 0.00 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 2krr s PRO 102 N -1.28 1.35 0.00 1.29 0.04 -1.26 -4.34 135.00 130.80 2krr s PRO 102 Ca 0.32 0.85 0.21 0.00 0.04 0.00 0.00 61.00 62.42 2krr s PRO 102 Cb -0.19 -1.82 1.02 0.00 0.04 0.00 0.00 34.50 33.55 2krr s PRO 102 CO 0.20 -2.18 1.66 0.66 0.04 0.00 0.00 177.00 177.38 2krr n TYR 103 N -3.85 0.00 -0.54 0.56 4.01 -1.26 -2.29 117.16 113.79 2krr n TYR 103 Ca 0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.87 2krr n TYR 103 Cb 0.55 -0.32 0.14 0.00 -0.31 0.00 0.00 39.34 39.39 2krr n TYR 103 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krr n LYS 104 N -1.32 2.55 -1.45 -0.72 0.00 -1.26 -3.13 118.16 112.83 2krr n LYS 104 Ca 0.09 -2.22 -0.32 0.00 -0.00 0.00 0.00 58.31 55.86 2krr n LYS 104 Cb 0.18 -1.39 0.07 0.00 -0.00 0.00 0.00 35.03 33.89 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2krr s VAL 105 N -1.89 3.37 0.02 0.58 0.11 -0.97 -5.07 120.40 116.55 2krr s VAL 105 Ca 0.24 0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 59.78 2krr s VAL 105 Cb 0.18 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 2krr s VAL 105 CO 0.07 -0.52 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.41 2krr s THR 106 N -2.74 0.13 0.31 5.04 2.01 -1.26 -4.87 115.64 114.26 2krr s THR 106 Ca 0.63 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2krr s THR 106 Cb -0.18 -0.50 0.32 0.00 0.01 0.00 0.00 72.50 72.15 2krr s THR 106 CO 0.51 -0.58 1.65 1.56 -0.69 0.00 0.00 174.62 177.08 2krr h GLN 107 N 4.34 0.25 -0.19 4.92 4.20 -1.98 0.18 115.11 126.83 2krr h GLN 107 Ca -0.32 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 2krr h GLN 107 Cb 1.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2krr h GLN 107 CO 0.45 0.17 0.07 0.22 -0.67 0.00 0.00 178.83 179.08 2krr h ASP 108 N 0.26 0.27 -0.88 1.46 1.82 -1.96 0.62 116.42 118.00 2krr h ASP 108 Ca 0.62 -0.17 0.23 0.00 -0.39 0.00 0.00 57.03 57.31 2krr h ASP 108 Cb 1.31 -0.07 -0.13 0.00 0.68 0.00 0.00 39.33 41.12 2krr h ASP 108 CO -0.64 0.36 0.32 -0.33 -1.61 0.00 0.00 179.24 177.35 2krr h GLU 109 N 0.15 0.30 0.00 0.28 3.07 -1.05 0.33 114.58 117.68 2krr h GLU 109 Ca 0.06 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 2krr h GLU 109 Cb 0.18 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2krr h GLU 109 CO -0.00 0.20 -0.88 -0.07 -1.40 0.00 0.00 179.01 176.86 2krr h LEU 110 N 0.31 0.00 -0.59 1.33 3.38 -1.25 -3.21 115.31 115.28 2krr h LEU 110 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2krr h LEU 110 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2krr h LEU 110 CO -0.58 0.72 0.00 2.29 0.09 0.00 0.00 178.44 180.97 2krr n LYS 111 N -3.21 0.11 0.23 1.13 2.85 0.11 -2.19 118.16 117.18 2krr n LYS 111 Ca -0.02 0.44 0.16 0.00 -1.05 0.00 0.00 58.31 57.84 2krr n LYS 111 Cb 0.84 -1.75 0.80 0.00 -0.65 0.00 0.00 35.03 34.28 2krr n LYS 111 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2krr h GLU 112 N 0.00 0.00 0.00 -1.58 4.39 -1.32 0.44 114.58 116.51 2krr h GLU 112 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2krr h GLU 112 Cb 0.20 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2krr h GLU 112 CO 0.00 0.00 -1.99 1.33 -1.16 0.00 0.00 179.01 177.19 2krr n VAL 113 N -2.62 0.98 -1.49 3.13 0.24 -0.93 -4.65 118.33 112.99 2krr n VAL 113 Ca -0.01 -0.27 -0.32 0.00 -2.04 0.00 0.00 64.34 61.69 2krr n VAL 113 Cb 0.10 -1.61 0.07 0.00 -1.47 0.00 0.00 33.84 30.93 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 -3.63 3.09 0.27 6.34 1.16 -1.18 -4.66 117.46 118.86 2krr n PHE 114 Ca -0.34 -2.81 0.10 0.00 -1.87 0.00 0.00 57.45 52.54 2krr n PHE 114 Cb 0.76 -1.18 0.73 0.00 -1.61 0.00 0.00 39.48 38.19 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 2.00 0.00 -0.72 3.97 4.81 -0.38 0.42 114.58 124.68 2krr h GLU 115 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 2krr h GLU 115 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2krr h GLU 115 CO 1.38 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 179.41 2krr n ASP 116 N -4.31 3.95 -4.30 1.04 8.00 -1.26 -4.93 116.55 114.73 2krr n ASP 116 Ca -0.03 -2.56 -0.30 0.00 0.71 0.00 0.00 54.79 52.61 2krr n ASP 116 Cb 0.09 -0.60 0.17 0.00 -0.02 0.00 0.00 41.12 40.75 2krr n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krr s ALA 117 N -2.08 2.21 -0.02 2.24 0.00 0.14 -5.03 121.76 119.21 2krr s ALA 117 Ca 0.35 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2krr s ALA 117 Cb 0.26 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 2krr s ALA 117 CO 0.11 -2.34 0.62 0.00 0.00 0.00 0.00 175.76 174.15 2krr h ALA 118 N -1.57 -0.56 -2.59 0.00 0.00 -1.86 -3.49 119.26 109.19 2krr h ALA 118 Ca -0.45 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2krr h ALA 118 Cb 1.26 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 2krr h ALA 118 CO 0.45 -0.52 -0.34 -1.83 0.00 0.00 0.00 179.25 177.00 2krr s GLU 119 N -3.06 1.05 -0.01 0.00 1.03 -0.53 -5.03 118.70 112.15 2krr s GLU 119 Ca -0.06 -1.11 0.03 0.00 0.03 0.00 0.00 54.97 53.86 2krr s GLU 119 Cb 0.01 0.36 -0.01 0.00 -0.80 0.00 0.00 34.13 33.69 2krr s GLU 119 CO 0.19 -0.37 -0.11 0.42 -1.33 0.00 0.00 175.26 174.07 2krr s ILE 120 N -3.93 0.85 -0.20 1.83 1.09 -1.26 -2.33 121.20 117.25 2krr s ILE 120 Ca 0.13 -0.45 -0.05 0.00 -1.10 0.00 0.00 60.65 59.18 2krr s ILE 120 Cb 0.04 -0.72 0.07 0.00 -1.06 0.00 0.00 42.46 40.80 2krr s ILE 120 CO -0.04 0.24 0.11 -0.13 -0.10 0.00 0.00 174.94 175.03 2krr s ARG 121 N -0.20 0.10 0.20 2.79 1.81 0.83 -4.98 118.95 119.50 2krr s ARG 121 Ca 0.03 -0.14 -0.10 0.00 -1.72 0.00 0.00 55.73 53.80 2krr s ARG 121 Cb -0.05 -1.63 -0.07 0.00 -0.45 0.00 0.00 34.95 32.76 2krr s ARG 121 CO -0.00 -0.74 0.52 -1.17 -0.68 0.00 0.00 175.30 173.22 2krr s LEU 122 N 2.15 4.22 -0.23 2.53 2.96 -1.26 0.18 118.68 129.23 2krr s LEU 122 Ca 0.04 0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 54.78 2krr s LEU 122 Cb -0.16 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 2krr s LEU 122 CO -0.15 -0.01 0.07 -0.69 -1.32 0.00 0.00 176.35 174.24 2krr s VAL 123 N -1.71 4.46 0.13 1.68 1.01 -1.13 -4.90 120.40 119.94 2krr s VAL 123 Ca 0.44 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 2krr s VAL 123 Cb -0.12 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.25 2krr s VAL 123 CO 0.21 0.37 0.49 -0.94 0.00 0.00 0.00 175.10 175.23 2krr s SER 124 N 1.23 -0.38 -0.09 3.32 1.04 -1.26 -2.78 113.70 114.78 2krr s SER 124 Ca 0.05 -0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.33 2krr s SER 124 Cb -0.14 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2krr s SER 124 CO 0.03 -0.88 -0.05 -0.75 0.98 0.00 0.00 173.24 172.57 2krr s LYS 125 N -3.64 1.16 -1.74 4.02 2.47 0.92 -4.75 119.74 118.18 2krr s LYS 125 Ca 0.01 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.28 2krr s LYS 125 Cb 0.01 -1.27 0.00 0.00 -1.46 0.00 0.00 37.83 35.10 2krr s LYS 125 CO -0.11 -0.22 0.00 -3.47 0.16 0.00 0.00 175.35 171.71 2krr n ASP 126 N 4.75 -5.03 0.00 1.43 2.03 -1.26 -1.24 116.55 117.24 2krr n ASP 126 Ca -0.14 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2krr n ASP 126 Cb 0.50 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.87 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 -0.92 0.72 3.76 0.27 0.00 -1.26 -5.05 105.19 102.71 2krr n GLY 127 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2krr n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 128 N -0.75 4.17 0.32 1.61 -0.14 -0.37 -5.06 119.74 119.51 2krr s LYS 128 Ca 0.00 0.28 -0.28 0.00 -1.36 0.00 0.00 55.97 54.61 2krr s LYS 128 Cb 0.00 -3.37 -0.09 0.00 -1.68 0.00 0.00 37.83 32.69 2krr s LYS 128 CO 0.00 0.35 1.07 -1.12 -0.76 0.00 0.00 175.35 174.88 2krr s SER 129 N 0.08 7.13 0.18 2.83 0.01 -1.19 -0.05 113.70 122.69 2krr s SER 129 Ca 0.21 2.16 0.23 0.00 1.31 0.00 0.00 55.95 59.86 2krr s SER 129 Cb -0.15 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2krr s SER 129 CO 0.08 -0.23 1.03 0.29 0.41 0.00 0.00 173.24 174.82 2krr n LYS 130 N 0.79 0.58 0.00 12.44 5.02 -1.12 -4.70 118.16 131.16 2krr n LYS 130 Ca 0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2krr n LYS 130 Cb 0.47 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2krr n GLY 131 N 1.20 1.34 3.14 0.72 0.00 -1.26 -4.98 105.19 105.35 2krr n GLY 131 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.16 -0.22 -0.61 -4.36 -1.26 -3.28 121.20 109.63 2krr s ILE 132 Ca 0.00 -1.31 -0.08 0.00 -0.26 0.00 0.00 60.65 59.00 2krr s ILE 132 Cb 0.00 -1.21 0.10 0.00 1.25 0.00 0.00 42.46 42.59 2krr s ILE 132 CO 0.00 -0.72 0.48 0.00 0.24 0.00 0.00 174.94 174.94 2krr s ALA 133 N -3.39 -1.38 0.02 2.27 0.00 -0.96 -2.82 121.76 115.50 2krr s ALA 133 Ca 0.02 1.73 -0.18 0.00 0.00 0.00 0.00 51.96 53.53 2krr s ALA 133 Cb 0.03 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 2krr s ALA 133 CO -0.08 -0.76 0.50 0.71 0.00 0.00 0.00 175.76 176.13 2krr s TYR 134 N 2.59 3.74 -0.08 0.00 2.02 0.13 -0.04 117.35 125.71 2krr s TYR 134 Ca -0.03 1.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.80 2krr s TYR 134 Cb -0.12 -2.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.03 2krr s TYR 134 CO -0.14 0.56 -0.08 0.96 -1.57 0.00 0.00 175.55 175.28 2krr s ILE 135 N -0.88 0.90 -0.48 2.71 -0.00 0.03 -0.12 121.20 123.36 2krr s ILE 135 Ca 0.27 -0.27 -0.16 0.00 -0.00 0.00 0.00 60.65 60.48 2krr s ILE 135 Cb -0.18 -0.89 0.07 0.00 -0.00 0.00 0.00 42.46 41.45 2krr s ILE 135 CO 0.16 0.32 0.45 -1.61 -0.00 0.00 0.00 174.94 174.26 2krr s GLU 136 N 1.25 3.02 0.78 0.37 0.41 -0.98 -0.01 118.70 123.53 2krr s GLU 136 Ca -0.04 -1.22 -0.10 0.00 -0.41 0.00 0.00 54.97 53.19 2krr s GLU 136 Cb -0.14 -4.12 0.08 0.00 -1.78 0.00 0.00 34.13 28.18 2krr s GLU 136 CO -0.03 -1.06 1.13 -0.06 -0.49 0.00 0.00 175.26 174.75 2krr s PHE 137 N 1.89 2.82 0.19 1.61 0.40 -1.18 -1.46 117.98 122.25 2krr s PHE 137 Ca 0.07 0.60 -0.04 0.00 -0.60 0.00 0.00 56.93 56.95 2krr s PHE 137 Cb -0.23 -3.43 0.10 0.00 0.51 0.00 0.00 43.02 39.97 2krr s PHE 137 CO 0.08 -1.71 1.51 0.87 0.70 0.00 0.00 175.22 176.67 2krr h LYS 138 N -0.93 0.61 -2.71 0.44 6.56 -1.94 -3.45 116.57 115.15 2krr h LYS 138 Ca -0.45 -0.37 -0.08 0.00 -1.06 0.00 0.00 60.65 58.69 2krr h LYS 138 Cb 1.32 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 32.83 2krr h LYS 138 CO 0.62 0.98 -0.04 -0.08 -2.06 0.00 0.00 179.45 178.87 2krr s THR 139 N -4.07 0.04 0.59 -0.16 -1.32 -1.26 -5.02 115.64 104.43 2krr s THR 139 Ca -0.08 -0.30 0.29 0.00 -1.21 0.00 0.00 61.69 60.40 2krr s THR 139 Cb 0.11 -0.89 0.36 0.00 -1.51 0.00 0.00 72.50 70.58 2krr s THR 139 CO 0.85 -0.16 2.05 -0.33 -2.21 0.00 0.00 174.62 174.82 2krr h GLU 140 N 3.15 0.00 -0.30 7.08 3.07 -1.88 0.69 114.58 126.40 2krr h GLU 140 Ca -0.30 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.44 2krr h GLU 140 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 2krr h GLU 140 CO 0.41 0.00 -0.34 0.00 -1.40 0.00 0.00 179.01 177.68 2krr h ALA 141 N 1.68 0.86 0.05 3.43 0.00 -1.96 0.25 119.26 123.58 2krr h ALA 141 Ca 0.11 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.34 2krr h ALA 141 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2krr h ALA 141 CO -0.00 0.63 -1.35 -0.44 0.00 0.00 0.00 179.25 178.09 2krr h ASP 142 N 0.55 0.16 0.11 0.00 5.19 -1.34 -3.13 116.42 117.95 2krr h ASP 142 Ca 0.06 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 2krr h ASP 142 Cb 0.84 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.30 2krr h ASP 142 CO 0.07 1.17 -0.05 0.00 -3.12 0.00 0.00 179.24 177.31 2krr h ALA 143 N 0.81 -0.15 -0.30 3.45 0.00 -1.11 0.30 119.26 122.26 2krr h ALA 143 Ca -0.16 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2krr h ALA 143 Cb 1.92 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2krr h ALA 143 CO 0.13 -0.14 0.33 1.05 0.00 0.00 0.00 179.25 180.62 2krr h GLU 144 N -1.03 0.00 0.00 0.00 4.11 -0.68 -1.27 114.58 115.70 2krr h GLU 144 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 2krr h GLU 144 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2krr h GLU 144 CO 0.02 0.00 -0.65 -0.22 0.07 0.00 0.00 179.01 178.23 2krr h LYS 145 N 0.00 0.00 -0.72 1.06 3.64 -1.62 -3.36 116.57 115.58 2krr h LYS 145 Ca 0.14 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.73 2krr h LYS 145 Cb 0.80 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2krr h LYS 145 CO -0.00 0.59 0.62 1.15 -2.27 0.00 0.00 179.45 179.54 2krr h THR 146 N -1.00 0.41 -0.01 1.00 2.02 -0.46 -0.38 112.91 114.49 2krr h THR 146 Ca -0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2krr h THR 146 Cb 0.85 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2krr h THR 146 CO -0.09 0.00 -0.43 0.15 0.37 0.00 0.00 175.52 175.52 2krr h PHE 147 N 0.00 -1.27 0.00 3.16 3.57 -1.39 0.26 116.94 121.27 2krr h PHE 147 Ca 0.34 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2krr h PHE 147 Cb 1.58 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 40.87 2krr h PHE 147 CO 0.00 -0.46 -0.33 1.05 -2.23 0.00 0.00 178.31 176.34 2krr h GLU 148 N -0.53 0.00 0.00 1.11 4.11 -1.61 0.17 114.58 117.83 2krr h GLU 148 Ca 0.01 0.00 -0.00 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 -0.30 0.10 -0.01 1.49 0.07 0.00 0.00 179.01 180.37 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.81 -0.61 -3.27 114.58 116.57 2krr h GLU 149 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2krr h GLU 149 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2krr h GLU 149 CO 0.01 0.01 -1.07 1.63 -0.73 0.00 0.00 179.01 178.86 2krr n LYS 150 N -3.10 2.50 -1.52 1.92 4.76 0.86 -5.01 118.16 118.57 2krr n LYS 150 Ca 0.01 -0.00 -0.51 0.00 -2.87 0.00 0.00 58.31 54.93 2krr n LYS 150 Cb 0.34 -1.03 -0.05 0.00 -1.84 0.00 0.00 35.03 32.45 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2krr n GLN 151 N -1.87 0.63 0.00 1.97 7.27 0.61 -3.07 117.38 122.92 2krr n GLN 151 Ca -0.01 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.28 2krr n GLN 151 Cb 0.36 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.38 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 1.89 1.13 3.69 1.69 0.00 -1.26 -4.95 105.19 107.37 2krr n GLY 152 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 2.58 -0.15 2.61 -1.32 -1.17 -4.97 115.64 111.22 2krr s THR 153 Ca 0.00 0.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.69 2krr s THR 153 Cb 0.00 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.48 2krr s THR 153 CO 0.00 -0.25 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.34 2krr s GLU 154 N -4.81 2.97 -0.06 7.08 2.02 -1.26 -3.50 118.70 121.13 2krr s GLU 154 Ca 0.64 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2krr s GLU 154 Cb -0.20 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.61 2krr s GLU 154 CO 0.58 -0.07 -0.07 0.42 0.02 0.00 0.00 175.26 176.14 2krr s ILE 155 N 0.95 0.79 -1.69 -1.63 1.09 0.10 -4.75 121.20 116.07 2krr s ILE 155 Ca -0.04 -0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.27 2krr s ILE 155 Cb -0.15 -0.79 0.00 0.00 -1.06 0.00 0.00 42.46 40.47 2krr s ILE 155 CO -0.05 0.29 0.00 -0.67 -0.10 0.00 0.00 174.94 174.41 2krr n ASP 156 N 4.21 -4.92 0.00 3.58 2.03 -1.26 -1.87 116.55 118.32 2krr n ASP 156 Ca -0.21 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2krr n ASP 156 Cb 0.51 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 37.08 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 157 N -1.02 3.07 3.10 0.27 0.00 -1.26 -5.03 105.19 104.32 2krr n GLY 157 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.57 0.34 -3.95 1.61 1.85 -0.78 -5.04 116.66 110.11 2krr n ARG 158 Ca 0.00 -2.31 -0.35 0.00 -1.00 0.00 0.00 57.85 54.19 2krr n ARG 158 Cb 0.00 -0.37 -0.14 0.00 -1.05 0.00 0.00 32.46 30.90 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 -4.06 4.44 0.30 2.89 0.01 -1.26 0.02 113.70 116.03 2krr s SER 159 Ca 0.51 -0.95 -0.26 0.00 1.31 0.00 0.00 55.95 56.55 2krr s SER 159 Cb -0.03 -1.67 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2krr s SER 159 CO 0.33 -0.15 0.93 0.27 0.41 0.00 0.00 173.24 175.02 2krr s ILE 160 N 1.31 4.21 0.12 1.44 -4.36 -1.23 -4.92 121.20 117.77 2krr s ILE 160 Ca -0.01 1.83 0.11 0.00 -0.26 0.00 0.00 60.65 62.32 2krr s ILE 160 Cb -0.17 -4.05 -0.04 0.00 1.25 0.00 0.00 42.46 39.45 2krr s ILE 160 CO -0.04 0.20 -0.26 -0.44 0.24 0.00 0.00 174.94 174.64 2krr s SER 161 N -1.55 3.23 0.13 4.36 0.01 -1.00 -4.36 113.70 114.52 2krr s SER 161 Ca 0.48 -0.73 0.09 0.00 1.31 0.00 0.00 55.95 57.11 2krr s SER 161 Cb -0.20 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 2krr s SER 161 CO 0.25 0.18 -0.19 -0.76 0.41 0.00 0.00 173.24 173.13 2krr s LEU 162 N -1.96 2.67 -0.15 2.44 1.02 -1.26 -0.98 118.68 120.46 2krr s LEU 162 Ca 0.13 -0.59 -0.07 0.00 0.02 0.00 0.00 54.13 53.62 2krr s LEU 162 Cb -0.10 -1.50 0.06 0.00 0.02 0.00 0.00 46.19 44.67 2krr s LEU 162 CO 0.05 0.17 0.33 -0.31 0.02 0.00 0.00 176.35 176.62 2krr s TYR 163 N -1.20 -0.53 0.31 0.29 1.51 0.85 -4.96 117.35 113.62 2krr s TYR 163 Ca 0.18 1.13 -0.28 0.00 -1.01 0.00 0.00 57.07 57.10 2krr s TYR 163 Cb -0.10 0.14 -0.09 0.00 -0.11 0.00 0.00 41.96 41.80 2krr s TYR 163 CO 0.10 -0.35 1.06 1.52 -1.11 0.00 0.00 175.55 176.77 2krr s TYR 164 N 1.87 3.54 -0.06 2.71 -0.85 -1.26 -0.27 117.35 123.04 2krr s TYR 164 Ca -0.05 1.72 -0.10 0.00 -0.52 0.00 0.00 57.07 58.12 2krr s TYR 164 Cb -0.11 -3.18 0.02 0.00 0.38 0.00 0.00 41.96 39.08 2krr s TYR 164 CO -0.11 -0.41 0.24 -0.08 -1.52 0.00 0.00 175.55 173.68 2krr s THR 165 N -1.34 0.03 0.00 -3.49 -1.32 -1.22 -4.89 115.64 103.41 2krr s THR 165 Ca 0.48 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 2krr s THR 165 Cb -0.27 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 2krr s THR 165 CO 0.35 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2krr n GLY 166 N 2.24 1.21 1.36 6.08 0.00 -1.26 -3.63 105.19 111.19 2krr n GLY 166 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2krr n GLY 166 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2krr n GLU 167 N 0.00 -2.99 -0.04 1.61 0.28 -1.26 -3.43 120.64 114.82 2krr n GLU 167 Ca 0.00 2.40 -0.01 0.00 -0.16 0.00 0.00 57.16 59.39 2krr n GLU 167 Cb 0.00 -3.35 0.01 0.00 1.43 0.00 0.00 31.44 29.53 2krr n GLU 167 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2krr n PRO 168 N -3.55 -1.11 -4.58 3.44 -0.04 -1.26 -4.16 135.00 123.75 2krr n PRO 168 Ca -0.05 -0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 2krr n PRO 168 Cb 0.51 -0.06 -0.12 0.00 -0.04 0.00 0.00 33.50 33.78 2krr n PRO 168 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2krr s LYS 169 N -3.09 2.01 0.00 0.54 3.01 -1.26 -4.76 119.74 116.19 2krr s LYS 169 Ca 0.03 -1.02 0.00 0.00 -1.01 0.00 0.00 55.97 53.96 2krr s LYS 169 Cb -0.00 -2.18 0.00 0.00 -1.01 0.00 0.00 37.83 34.64 2krr s LYS 169 CO 0.02 0.53 0.00 0.41 0.51 0.00 0.00 175.35 176.82 2krr n GLY 170 N 1.38 1.86 0.14 -3.33 0.00 -1.26 -5.03 105.19 98.95 2krr n GLY 170 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 0.03 0.37 0.00 1.61 -0.00 -2.02 -3.40 114.58 111.17 2krr h GLU 171 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 59.36 58.73 2krr h GLU 171 Cb 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 28.75 28.98 2krr h GLU 171 CO 0.00 1.28 -0.15 0.41 -0.00 0.00 0.00 179.01 180.55 2krr n GLY 172 N 1.85 2.82 0.08 1.06 0.00 -1.26 -4.81 105.19 104.94 2krr n GLY 172 Ca -0.24 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.04 0.00 0.99 3.38 -1.98 -3.56 115.31 114.10 2krr h LEU 173 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2krr h LEU 173 Cb 1.06 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2krr h LEU 173 CO 0.00 0.69 0.00 1.21 0.09 0.00 0.00 178.44 180.43