#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksp s PRO 36 N 0.00 3.03 -0.02 1.61 0.04 -1.26 -4.96 135.00 133.44 2ksp s PRO 36 Ca 0.00 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 2ksp s PRO 36 Cb 0.00 -4.24 -0.06 0.00 0.04 0.00 0.00 34.50 30.24 2ksp s PRO 36 CO 0.00 -2.27 1.65 -0.51 0.04 0.00 0.00 177.00 175.91 2ksp s LEU 37 N 7.12 4.34 -0.30 -3.56 1.43 -1.26 -4.98 118.68 121.46 2ksp s LEU 37 Ca 0.55 2.30 -0.13 0.00 -1.03 0.00 0.00 54.13 55.82 2ksp s LEU 37 Cb -0.11 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2ksp s LEU 37 CO 0.21 -0.91 0.28 -0.83 0.23 0.00 0.00 176.35 175.34 2ksp s GLY 38 N 3.09 1.92 -0.16 -3.19 0.00 -1.26 -5.05 107.32 102.67 2ksp s GLY 38 Ca 0.74 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 2ksp s GLY 38 CO 0.30 0.83 -0.05 -0.45 0.00 0.00 0.00 173.10 173.74 2ksp s SER 39 N 1.72 2.71 -0.76 1.64 0.15 -1.26 -5.08 113.70 112.82 2ksp s SER 39 Ca 0.10 -0.60 -0.19 0.00 0.70 0.00 0.00 55.95 55.95 2ksp s SER 39 Cb -0.16 -0.88 0.12 0.00 -1.71 0.00 0.00 66.02 63.39 2ksp s SER 39 CO 0.11 -0.18 0.92 -1.81 1.20 0.00 0.00 173.24 173.48 2ksp s ASP 40 N 1.66 6.42 -0.15 5.45 1.01 -1.26 -5.01 116.67 124.78 2ksp s ASP 40 Ca 0.01 -1.73 -0.29 0.00 0.71 0.00 0.00 52.55 51.25 2ksp s ASP 40 Cb -0.15 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 2ksp s ASP 40 CO -0.08 -1.10 1.15 1.51 0.21 0.00 0.00 175.17 176.87 2ksp s ASP 41 N 3.47 7.05 -0.15 0.27 -4.77 -1.26 -5.01 116.67 116.27 2ksp s ASP 41 Ca 0.22 1.60 -0.11 0.00 -3.30 0.00 0.00 52.55 50.97 2ksp s ASP 41 Cb -0.14 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.10 2ksp s ASP 41 CO -0.01 -0.66 0.21 -0.69 0.70 0.00 0.00 175.17 174.73 2ksp s VAL 42 N 2.95 5.37 0.28 2.11 1.01 -1.26 -5.07 120.40 125.80 2ksp s VAL 42 Ca 0.51 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2ksp s VAL 42 Cb -0.20 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 2ksp s VAL 42 CO 0.14 0.48 1.15 -1.83 0.00 0.00 0.00 175.10 175.05 2ksp s GLU 43 N -0.11 4.57 -0.57 2.72 -1.05 -1.26 -4.92 118.70 118.08 2ksp s GLU 43 Ca 0.14 1.90 -0.27 0.00 -0.15 0.00 0.00 54.97 56.59 2ksp s GLU 43 Cb -0.12 -3.17 -0.02 0.00 -0.44 0.00 0.00 34.13 30.38 2ksp s GLU 43 CO 0.03 0.10 1.80 -0.46 0.95 0.00 0.00 175.26 177.68 2ksp s TRP 44 N -1.08 1.75 0.47 4.83 -0.00 -1.26 -4.84 118.94 118.80 2ksp s TRP 44 Ca 0.46 0.72 0.27 0.00 -0.00 0.00 0.00 56.10 57.55 2ksp s TRP 44 Cb -0.34 -4.13 1.32 0.00 -0.00 0.00 0.00 33.47 30.32 2ksp s TRP 44 CO 0.43 -2.36 1.79 0.28 -0.00 0.00 0.00 176.95 177.09 2ksp h VAL 45 N 6.81 0.47 0.00 5.86 2.07 -1.91 0.19 116.25 129.74 2ksp h VAL 45 Ca -0.27 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2ksp h VAL 45 Cb 1.15 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2ksp h VAL 45 CO 1.19 0.04 -0.10 0.58 0.02 0.00 0.00 177.57 179.29 2ksp h VAL 46 N 0.20 0.35 0.00 2.57 2.07 -1.88 -1.14 116.25 118.41 2ksp h VAL 46 Ca 0.58 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2ksp h VAL 46 Cb 1.86 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2ksp h VAL 46 CO -0.16 0.10 -0.07 1.23 0.02 0.00 0.00 177.57 178.68 2ksp h GLY 47 N 1.42 0.00 2.00 2.17 0.00 -1.01 -1.35 103.07 106.30 2ksp h GLY 47 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2ksp h GLY 47 CO 0.01 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.13 2ksp h LYS 48 N 0.00 0.00 -0.01 4.80 3.64 -1.34 -3.15 116.57 120.51 2ksp h LYS 48 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ksp h LYS 48 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2ksp h LYS 48 CO 0.01 0.12 0.00 -3.47 -2.27 0.00 0.00 179.45 173.84 2ksp n ASP 49 N -3.14 2.22 -0.22 4.20 2.03 -0.90 -4.78 116.55 115.96 2ksp n ASP 49 Ca 0.03 -2.56 0.01 0.00 0.52 0.00 0.00 54.79 52.79 2ksp n ASP 49 Cb 0.55 -0.23 0.12 0.00 -0.72 0.00 0.00 41.12 40.84 2ksp n ASP 49 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ksp h LYS 50 N 0.06 0.46 -0.97 -0.67 1.79 -1.22 -2.51 116.57 113.51 2ksp h LYS 50 Ca 0.00 -0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.68 2ksp h LYS 50 Cb 0.77 -0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 31.19 2ksp h LYS 50 CO 0.00 0.31 0.54 -1.00 -1.08 0.00 0.00 179.45 178.22 2ksp h PRO 51 N 0.48 0.52 -0.24 3.15 0.13 -1.86 0.55 132.00 134.73 2ksp h PRO 51 Ca 0.33 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.33 2ksp h PRO 51 Cb 0.39 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 2ksp h PRO 51 CO -0.30 0.34 -0.22 1.15 -0.23 0.00 0.00 178.00 178.74 2ksp h THR 52 N 0.54 1.32 0.00 1.56 2.02 -1.84 -1.98 112.91 114.52 2ksp h THR 52 Ca 0.62 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 2ksp h THR 52 Cb 1.18 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2ksp h THR 52 CO -0.49 0.43 -0.14 1.88 0.37 0.00 0.00 175.52 177.57 2ksp h TYR 53 N 0.28 0.00 -0.17 3.16 0.05 -1.02 -2.53 116.97 116.73 2ksp h TYR 53 Ca 0.04 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 2ksp h TYR 53 Cb 0.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 2ksp h TYR 53 CO 0.08 0.14 -0.21 0.22 -1.05 0.00 0.00 178.16 177.33 2ksp h ASP 54 N 0.00 0.49 -0.39 3.88 1.82 0.29 0.96 116.42 123.47 2ksp h ASP 54 Ca -0.00 -0.50 0.05 0.00 -0.39 0.00 0.00 57.03 56.19 2ksp h ASP 54 Cb 0.66 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.48 2ksp h ASP 54 CO 0.02 0.89 0.13 -0.33 -1.61 0.00 0.00 179.24 178.33 2ksp h GLU 55 N 0.09 0.27 -0.03 0.28 4.39 -0.97 -1.87 114.58 116.74 2ksp h GLU 55 Ca 0.02 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.47 2ksp h GLU 55 Cb 0.77 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2ksp h GLU 55 CO 0.05 0.18 -0.94 0.82 -1.16 0.00 0.00 179.01 177.96 2ksp h ILE 56 N 0.28 1.33 0.21 3.13 2.04 -1.43 -3.14 117.51 119.94 2ksp h ILE 56 Ca 0.18 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 2ksp h ILE 56 Cb 0.17 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2ksp h ILE 56 CO -0.19 0.69 -0.12 0.15 0.00 0.00 0.00 178.15 178.68 2ksp h PHE 57 N 0.34 -0.30 0.00 1.37 3.57 -0.59 -2.83 116.94 118.50 2ksp h PHE 57 Ca -0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2ksp h PHE 57 Cb 1.57 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 2ksp h PHE 57 CO 0.08 -0.18 -0.06 1.88 -2.23 0.00 0.00 178.31 177.80 2ksp h TYR 58 N -0.31 0.00 0.00 0.41 0.05 -1.44 -2.16 116.97 113.52 2ksp h TYR 58 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2ksp h TYR 58 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2ksp h TYR 58 CO -0.08 0.06 0.00 0.25 -1.05 0.00 0.00 178.16 177.34 2ksp n THR 59 N -3.17 0.04 -0.04 -2.88 -2.24 -1.07 -2.28 114.28 102.63 2ksp n THR 59 Ca 0.01 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 2ksp n THR 59 Cb 0.35 -0.54 0.26 0.00 -2.10 0.00 0.00 70.33 68.31 2ksp n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ksp n LEU 60 N -1.17 3.66 -2.81 3.22 4.77 -0.81 -5.02 117.00 118.84 2ksp n LEU 60 Ca 0.17 -1.76 -0.05 0.00 -0.03 0.00 0.00 56.01 54.35 2ksp n LEU 60 Cb 0.18 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2ksp n LEU 60 CO 0.20 0.86 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.70 2ksp n SER 61 N 1.51 -7.93 -4.77 -1.43 7.64 -0.96 -4.89 113.62 102.78 2ksp n SER 61 Ca 0.21 0.93 -0.38 0.00 1.01 0.00 0.00 58.87 60.64 2ksp n SER 61 Cb 0.60 -5.23 -0.05 0.00 -1.01 0.00 0.00 64.21 58.51 2ksp n SER 61 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2ksp s PRO 62 N -2.14 4.58 -0.22 1.43 0.02 -1.26 -4.81 135.00 132.60 2ksp s PRO 62 Ca 0.14 1.50 -0.03 0.00 0.02 0.00 0.00 61.00 62.63 2ksp s PRO 62 Cb -0.04 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.54 2ksp s PRO 62 CO 0.77 0.25 -0.07 0.08 -0.33 0.00 0.00 177.00 177.69 2ksp s VAL 63 N -1.42 3.03 -1.92 3.83 1.01 0.97 -4.57 120.40 121.33 2ksp s VAL 63 Ca 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2ksp s VAL 63 Cb -0.24 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2ksp s VAL 63 CO 0.30 0.40 0.00 0.59 0.00 0.00 0.00 175.10 176.39 2ksp n ASN 64 N 4.74 -5.84 0.00 3.32 3.02 -1.26 -1.94 115.26 117.30 2ksp n ASN 64 Ca -0.18 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2ksp n ASN 64 Cb 0.50 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 2ksp n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ksp n GLY 65 N -0.84 0.72 3.15 7.41 0.00 -1.26 -5.05 105.19 109.32 2ksp n GLY 65 Ca -0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2ksp n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksp s LYS 66 N -0.71 0.81 0.21 1.61 1.02 -0.82 -4.09 119.74 117.77 2ksp s LYS 66 Ca 0.00 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.14 2ksp s LYS 66 Cb 0.00 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 2ksp s LYS 66 CO 0.00 0.18 0.28 0.96 -0.92 0.00 0.00 175.35 175.84 2ksp s ILE 67 N -1.20 5.01 0.53 2.17 -4.36 0.18 -0.02 121.20 123.51 2ksp s ILE 67 Ca -0.02 -1.00 -0.06 0.00 -0.26 0.00 0.00 60.65 59.31 2ksp s ILE 67 Cb -0.10 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 39.94 2ksp s ILE 67 CO 0.02 -0.24 0.84 0.42 0.24 0.00 0.00 174.94 176.22 2ksp s THR 68 N -1.91 4.40 0.42 8.37 -4.23 -1.26 -1.89 115.64 119.52 2ksp s THR 68 Ca 0.33 0.13 0.21 0.00 -1.18 0.00 0.00 61.69 61.18 2ksp s THR 68 Cb -0.09 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.27 2ksp s THR 68 CO 0.27 -0.70 2.00 1.23 -0.54 0.00 0.00 174.62 176.89 2ksp h GLY 69 N 0.05 0.00 0.64 3.99 0.00 -1.97 -3.01 103.07 102.77 2ksp h GLY 69 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2ksp h GLY 69 CO 0.61 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.94 2ksp h ALA 70 N 1.82 -0.36 -0.06 3.60 0.00 -1.94 0.25 119.26 122.56 2ksp h ALA 70 Ca -0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2ksp h ALA 70 Cb 0.38 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ksp h ALA 70 CO 0.02 -0.74 -0.73 -0.91 0.00 0.00 0.00 179.25 176.89 2ksp h ASN 71 N -0.40 0.41 0.73 0.00 2.35 -1.90 -1.96 115.58 114.81 2ksp h ASN 71 Ca 0.03 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.37 2ksp h ASN 71 Cb 0.42 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2ksp h ASN 71 CO -0.12 1.01 -0.62 0.00 -1.65 0.00 0.00 177.43 176.06 2ksp h ALA 72 N 0.98 0.90 0.08 -0.83 0.00 -1.44 -2.09 119.26 116.86 2ksp h ALA 72 Ca -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2ksp h ALA 72 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ksp h ALA 72 CO 0.12 0.77 -0.04 -0.22 0.00 0.00 0.00 179.25 179.88 2ksp h LYS 73 N 0.00 -0.10 -0.46 0.00 3.64 -0.16 -0.52 116.57 118.97 2ksp h LYS 73 Ca -0.01 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2ksp h LYS 73 Cb 1.15 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2ksp h LYS 73 CO 0.08 0.21 0.11 1.57 -2.27 0.00 0.00 179.45 179.16 2ksp h LYS 74 N -0.43 0.69 -0.22 1.90 2.10 -1.33 -0.16 116.57 119.12 2ksp h LYS 74 Ca -0.01 -0.13 -0.05 0.00 -2.00 0.00 0.00 60.65 58.46 2ksp h LYS 74 Cb 0.37 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2ksp h LYS 74 CO 0.02 0.63 -0.05 1.49 -2.00 0.00 0.00 179.45 179.53 2ksp h GLU 75 N 0.67 0.43 -0.77 0.07 4.57 -1.37 -1.84 114.58 116.34 2ksp h GLU 75 Ca 0.15 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2ksp h GLU 75 Cb 0.25 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 2ksp h GLU 75 CO -0.00 0.67 0.51 1.98 -1.18 0.00 0.00 179.01 180.98 2ksp h MET 76 N 0.16 0.99 -0.00 1.92 4.05 -0.47 -1.63 114.93 119.95 2ksp h MET 76 Ca 0.06 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 2ksp h MET 76 Cb 0.51 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2ksp h MET 76 CO 0.02 0.66 -0.72 -0.39 0.23 0.00 0.00 176.91 176.71 2ksp h VAL 77 N 1.02 1.50 0.00 -5.77 -1.51 -1.04 -2.51 116.25 107.94 2ksp h VAL 77 Ca 0.29 -2.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.34 2ksp h VAL 77 Cb -0.08 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2ksp h VAL 77 CO -0.08 0.69 0.00 0.11 -1.23 0.00 0.00 177.57 177.07 2ksp h LYS 78 N 0.02 0.00 0.00 5.19 1.57 -0.61 -1.40 116.57 121.34 2ksp h LYS 78 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ksp h LYS 78 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2ksp h LYS 78 CO 0.10 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.41 2ksp n SER 79 N -2.76 0.00 -0.59 0.86 7.64 -0.68 -4.90 113.62 113.20 2ksp n SER 79 Ca 0.01 0.33 -0.07 0.00 1.01 0.00 0.00 58.87 60.15 2ksp n SER 79 Cb 0.26 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 2ksp n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ksp n LYS 80 N -1.43 -0.51 -3.66 1.43 4.76 -0.53 -5.03 118.16 113.20 2ksp n LYS 80 Ca 0.07 0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 55.88 2ksp n LYS 80 Cb 0.21 -4.51 -0.05 0.00 -1.84 0.00 0.00 35.03 28.84 2ksp n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ksp s LEU 81 N -1.69 4.28 0.70 -0.35 2.01 -1.26 -5.08 118.68 117.30 2ksp s LEU 81 Ca 0.00 0.63 -0.16 0.00 0.01 0.00 0.00 54.13 54.60 2ksp s LEU 81 Cb 0.00 -3.23 0.02 0.00 0.01 0.00 0.00 46.19 43.00 2ksp s LEU 81 CO 0.00 0.08 1.27 -2.84 1.01 0.00 0.00 176.35 175.87 2ksp s PRO 82 N -2.48 2.23 0.44 1.29 0.02 -1.26 -4.76 135.00 130.49 2ksp s PRO 82 Ca 0.39 1.98 0.13 0.00 0.02 0.00 0.00 61.00 63.51 2ksp s PRO 82 Cb -0.12 -1.82 1.03 0.00 0.02 0.00 0.00 34.50 33.61 2ksp s PRO 82 CO 0.23 -1.82 2.02 -0.91 -0.33 0.00 0.00 177.00 176.19 2ksp h ASN 83 N 0.06 0.33 -0.88 2.53 4.21 -1.98 0.18 115.58 120.03 2ksp h ASN 83 Ca -0.49 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.04 2ksp h ASN 83 Cb 1.33 -0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.41 2ksp h ASN 83 CO 0.51 0.22 0.58 0.74 -1.29 0.00 0.00 177.43 178.19 2ksp h THR 84 N 0.38 1.19 -0.00 2.81 2.02 -1.99 0.31 112.91 117.63 2ksp h THR 84 Ca 0.21 -0.39 -0.26 0.00 0.77 0.00 0.00 66.41 66.73 2ksp h THR 84 Cb 0.34 -0.06 0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2ksp h THR 84 CO -0.05 0.21 -1.03 0.58 0.37 0.00 0.00 175.52 175.60 2ksp h VAL 85 N 1.15 1.29 -0.50 3.16 2.07 -1.06 -2.19 116.25 120.17 2ksp h VAL 85 Ca 0.34 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.60 2ksp h VAL 85 Cb -0.05 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2ksp h VAL 85 CO -0.09 0.70 0.30 -0.07 0.02 0.00 0.00 177.57 178.43 2ksp h LEU 86 N 0.39 0.60 -1.32 2.57 4.07 -0.72 0.20 115.31 121.10 2ksp h LEU 86 Ca -0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 2ksp h LEU 86 Cb 1.68 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 43.25 2ksp h LEU 86 CO 0.20 0.47 0.20 1.23 -1.08 0.00 0.00 178.44 179.46 2ksp h GLY 87 N 0.67 0.72 0.76 0.83 0.00 -0.34 0.12 103.07 105.82 2ksp h GLY 87 Ca 0.18 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2ksp h GLY 87 CO -0.03 0.32 -0.26 1.70 0.00 0.00 0.00 176.54 178.27 2ksp h LYS 88 N 0.67 0.41 0.07 4.80 3.64 -0.71 -1.45 116.57 124.00 2ksp h LYS 88 Ca 0.17 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2ksp h LYS 88 Cb 0.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2ksp h LYS 88 CO -0.02 0.87 -0.03 0.82 -2.27 0.00 0.00 179.45 178.81 2ksp h ILE 89 N -0.00 0.98 -0.69 2.00 2.04 -0.40 -1.95 117.51 119.49 2ksp h ILE 89 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2ksp h ILE 89 Cb 0.85 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2ksp h ILE 89 CO 0.06 0.04 0.44 -0.25 0.00 0.00 0.00 178.15 178.44 2ksp h TRP 90 N -0.17 0.88 0.00 1.37 2.91 -0.81 -1.02 115.95 119.11 2ksp h TRP 90 Ca -0.01 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2ksp h TRP 90 Cb 0.14 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.49 2ksp h TRP 90 CO -0.05 0.57 -0.24 -0.22 -1.03 0.00 0.00 178.44 177.47 2ksp h LYS 91 N 0.94 0.00 -0.06 2.65 3.64 -1.10 0.55 116.57 123.18 2ksp h LYS 91 Ca 0.25 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 2ksp h LYS 91 Cb -0.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2ksp h LYS 91 CO -0.05 0.24 -0.55 -0.07 -2.27 0.00 0.00 179.45 176.75 2ksp h LEU 92 N 0.00 0.59 -0.42 5.20 3.38 -0.84 -3.34 115.31 119.88 2ksp h LEU 92 Ca -0.00 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 57.20 2ksp h LEU 92 Cb 0.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2ksp h LEU 92 CO 0.03 1.19 -0.06 0.00 0.09 0.00 0.00 178.44 179.69 2ksp h ALA 93 N 0.41 0.57 -1.11 1.53 0.00 -0.35 -3.25 119.26 117.07 2ksp h ALA 93 Ca -0.05 -0.30 -0.78 0.00 0.00 0.00 0.00 54.91 53.78 2ksp h ALA 93 Cb 1.22 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.64 2ksp h ALA 93 CO 0.11 0.41 1.55 -3.47 0.00 0.00 0.00 179.25 177.85 2ksp n ASP 94 N -4.35 7.29 0.23 0.00 2.03 0.18 -4.56 116.55 117.37 2ksp n ASP 94 Ca -0.01 -3.43 0.08 0.00 0.52 0.00 0.00 54.79 51.95 2ksp n ASP 94 Cb 0.34 -1.27 0.56 0.00 -0.72 0.00 0.00 41.12 40.03 2ksp n ASP 94 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2ksp h VAL 95 N 2.62 0.94 0.00 5.18 3.04 -1.68 -1.84 116.25 124.52 2ksp h VAL 95 Ca 0.54 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2ksp h VAL 95 Cb 0.38 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2ksp h VAL 95 CO 1.34 0.18 -0.38 -0.90 -1.01 0.00 0.00 177.57 176.80 2ksp n ASP 96 N -4.04 0.42 -3.12 3.17 5.68 -1.26 -5.00 116.55 112.40 2ksp n ASP 96 Ca -0.02 0.02 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 2ksp n ASP 96 Cb 0.27 0.02 0.01 0.00 -1.14 0.00 0.00 41.12 40.27 2ksp n ASP 96 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ksp n LYS 97 N -1.62 -1.71 0.00 0.11 4.01 -0.69 -4.97 118.16 113.29 2ksp n LYS 97 Ca 0.06 1.59 0.00 0.00 -0.51 0.00 0.00 58.31 59.44 2ksp n LYS 97 Cb 0.36 -5.05 0.00 0.00 -0.51 0.00 0.00 35.03 29.83 2ksp n LYS 97 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2ksp n ASP 98 N -1.33 4.92 0.00 4.39 5.75 -1.26 -5.03 116.55 123.98 2ksp n ASP 98 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2ksp n ASP 98 Cb 0.53 0.94 0.00 0.00 -1.03 0.00 0.00 41.12 41.55 2ksp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ksp n GLY 99 N 2.51 3.12 3.80 6.12 0.00 -1.26 -5.05 105.19 114.43 2ksp n GLY 99 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2ksp n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksp s LEU 100 N 0.00 3.28 -0.19 0.99 1.43 -1.26 -4.21 118.68 118.71 2ksp s LEU 100 Ca 0.00 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 2ksp s LEU 100 Cb 0.00 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.48 2ksp s LEU 100 CO 0.00 -0.54 -0.10 -0.76 0.23 0.00 0.00 176.35 175.17 2ksp s LEU 101 N -4.00 2.22 0.00 1.79 1.43 -0.79 -4.94 118.68 114.39 2ksp s LEU 101 Ca 0.44 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 2ksp s LEU 101 Cb -0.00 -1.22 0.11 0.00 0.03 0.00 0.00 46.19 45.11 2ksp s LEU 101 CO 0.25 -0.14 0.71 -0.90 0.23 0.00 0.00 176.35 176.50 2ksp n ASP 102 N 4.70 0.35 0.07 2.29 5.68 -1.26 -0.64 116.55 127.74 2ksp n ASP 102 Ca -0.15 -1.44 0.03 0.00 -0.50 0.00 0.00 54.79 52.74 2ksp n ASP 102 Cb 0.47 -0.52 0.41 0.00 -1.14 0.00 0.00 41.12 40.34 2ksp n ASP 102 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2ksp h ASP 103 N -0.77 0.33 0.06 -1.12 2.03 -1.99 0.13 116.42 115.09 2ksp h ASP 103 Ca -0.23 -0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2ksp h ASP 103 Cb 0.71 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 2ksp h ASP 103 CO 0.19 0.36 -0.03 -0.33 -1.03 0.00 0.00 179.24 178.40 2ksp h GLU 104 N 0.36 -0.08 -0.23 4.15 5.08 -1.95 -2.27 114.58 119.65 2ksp h GLU 104 Ca 0.09 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ksp h GLU 104 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2ksp h GLU 104 CO -0.00 0.52 0.11 0.93 -1.00 0.00 0.00 179.01 179.58 2ksp h GLU 105 N -0.82 0.33 -0.55 2.33 5.08 -1.75 -1.38 114.58 117.82 2ksp h GLU 105 Ca -0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2ksp h GLU 105 Cb 0.64 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2ksp h GLU 105 CO 0.01 0.33 0.13 0.35 -1.00 0.00 0.00 179.01 178.83 2ksp h PHE 106 N 0.25 0.87 -0.81 4.33 3.57 -0.86 -0.87 116.94 123.41 2ksp h PHE 106 Ca 0.08 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2ksp h PHE 106 Cb 0.11 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 2ksp h PHE 106 CO -0.03 0.73 0.42 0.00 -2.23 0.00 0.00 178.31 177.20 2ksp h ALA 107 N 1.33 1.22 -0.64 2.41 0.00 -1.09 -0.35 119.26 122.14 2ksp h ALA 107 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ksp h ALA 107 Cb 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2ksp h ALA 107 CO -0.00 0.62 0.19 -0.07 0.00 0.00 0.00 179.25 179.99 2ksp h LEU 108 N 1.14 0.93 -0.07 0.00 3.38 -0.44 0.15 115.31 120.40 2ksp h LEU 108 Ca 0.28 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2ksp h LEU 108 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2ksp h LEU 108 CO -0.04 0.90 -0.17 0.00 0.09 0.00 0.00 178.44 179.21 2ksp h ALA 109 N 1.07 -0.15 0.00 1.53 0.00 -0.35 -1.31 119.26 120.05 2ksp h ALA 109 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2ksp h ALA 109 Cb 0.30 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ksp h ALA 109 CO -0.01 -0.64 -0.08 -0.91 0.00 0.00 0.00 179.25 177.61 2ksp h ASN 110 N -0.25 0.00 0.87 0.00 -0.26 -0.92 -1.85 115.58 113.18 2ksp h ASN 110 Ca 0.08 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 2ksp h ASN 110 Cb 0.35 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.62 2ksp h ASN 110 CO -0.21 0.08 -0.42 -0.74 -1.06 0.00 0.00 177.43 175.08 2ksp h HIS 111 N 0.00 -1.09 -0.49 1.19 2.76 0.15 -0.51 115.15 117.17 2ksp h HIS 111 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2ksp h HIS 111 Cb 0.51 0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 2ksp h HIS 111 CO 0.00 -0.68 0.32 -0.07 -1.30 0.00 0.00 177.93 176.20 2ksp h LEU 112 N -1.20 0.57 -0.30 0.26 -0.00 -1.10 -0.10 115.31 113.43 2ksp h LEU 112 Ca -0.12 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2ksp h LEU 112 Cb 0.90 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2ksp h LEU 112 CO 0.20 0.42 0.18 0.40 -0.00 0.00 0.00 178.44 179.64 2ksp h ILE 113 N 0.67 1.10 -0.52 1.22 2.04 -1.28 -1.78 117.51 118.96 2ksp h ILE 113 Ca 0.18 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2ksp h ILE 113 Cb -0.06 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2ksp h ILE 113 CO -0.04 0.10 0.16 0.50 0.00 0.00 0.00 178.15 178.88 2ksp h LYS 114 N 0.39 0.78 -0.58 2.37 3.64 0.48 -0.13 116.57 123.52 2ksp h LYS 114 Ca 0.11 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2ksp h LYS 114 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2ksp h LYS 114 CO -0.02 0.68 0.22 0.28 -2.27 0.00 0.00 179.45 178.33 2ksp h VAL 115 N 0.76 1.21 0.00 2.00 2.07 -0.76 -0.75 116.25 120.79 2ksp h VAL 115 Ca 0.17 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 2ksp h VAL 115 Cb 0.22 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2ksp h VAL 115 CO -0.01 0.27 -0.49 0.11 0.02 0.00 0.00 177.57 177.47 2ksp h LYS 116 N 0.84 0.00 0.00 1.57 1.79 -0.50 -1.59 116.57 118.68 2ksp h LYS 116 Ca 0.20 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 2ksp h LYS 116 Cb 0.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2ksp h LYS 116 CO -0.02 0.49 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.75 2ksp h LEU 117 N 0.00 0.00 -0.66 2.94 3.38 0.38 0.12 115.31 121.47 2ksp h LEU 117 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ksp h LEU 117 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2ksp h LEU 117 CO 0.06 0.03 -0.04 -0.62 0.09 0.00 0.00 178.44 177.96 2ksp n GLU 118 N -3.14 1.34 -2.52 1.13 1.02 -0.69 -4.92 120.64 112.86 2ksp n GLU 118 Ca 0.00 -0.66 -0.07 0.00 -0.02 0.00 0.00 57.16 56.41 2ksp n GLU 118 Cb 0.29 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 2ksp n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ksp n GLY 119 N 1.18 0.31 0.74 0.62 0.00 0.42 -5.04 105.19 103.41 2ksp n GLY 119 Ca 0.19 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 2ksp n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ksp n HIS 120 N -3.62 -2.90 -4.37 1.61 8.25 -0.64 -5.01 115.22 108.55 2ksp n HIS 120 Ca -0.03 -0.40 -0.28 0.00 -0.26 0.00 0.00 57.72 56.75 2ksp n HIS 120 Cb 0.54 -0.11 -0.12 0.00 1.12 0.00 0.00 29.99 31.42 2ksp n HIS 120 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2ksp s GLU 121 N -2.53 1.60 -0.17 -0.41 1.03 -1.26 -4.62 118.70 112.33 2ksp s GLU 121 Ca 0.12 -1.37 0.01 0.00 0.03 0.00 0.00 54.97 53.75 2ksp s GLU 121 Cb -0.01 -1.95 0.01 0.00 -0.80 0.00 0.00 34.13 31.38 2ksp s GLU 121 CO 0.07 0.44 -0.18 -0.51 -1.33 0.00 0.00 175.26 173.75 2ksp s LEU 122 N -2.39 2.24 0.08 1.83 1.43 -1.26 -4.99 118.68 115.62 2ksp s LEU 122 Ca 0.19 -0.59 0.28 0.00 -1.03 0.00 0.00 54.13 52.97 2ksp s LEU 122 Cb -0.09 -1.51 1.05 0.00 0.03 0.00 0.00 46.19 45.67 2ksp s LEU 122 CO 0.09 0.03 1.85 -0.81 0.23 0.00 0.00 176.35 177.74 2ksp n PRO 123 N 4.42 0.10 -1.40 1.29 -0.04 -1.26 -4.90 135.00 133.21 2ksp n PRO 123 Ca -0.20 0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 2ksp n PRO 123 Cb 0.51 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2ksp n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksp n ALA 124 N -1.61 -0.21 -2.74 0.55 0.00 -1.26 -4.99 120.51 110.25 2ksp n ALA 124 Ca 0.06 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.38 2ksp n ALA 124 Cb 0.37 -1.56 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 2ksp n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksp s ASP 125 N -2.79 5.19 -0.43 0.00 1.01 -1.26 -4.97 116.67 113.42 2ksp s ASP 125 Ca 0.00 0.09 -0.18 0.00 0.71 0.00 0.00 52.55 53.17 2ksp s ASP 125 Cb 0.00 -1.57 0.03 0.00 1.01 0.00 0.00 42.92 42.39 2ksp s ASP 125 CO 0.00 0.32 0.48 -0.76 0.21 0.00 0.00 175.17 175.43 2ksp s LEU 126 N -0.55 4.84 0.56 1.23 1.43 -1.26 -5.07 118.68 119.86 2ksp s LEU 126 Ca 0.09 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 2ksp s LEU 126 Cb -0.12 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2ksp s LEU 126 CO 0.02 -0.64 0.92 -2.16 0.23 0.00 0.00 176.35 174.72 2ksp s PRO 127 N 2.26 3.48 0.59 1.29 0.05 -1.26 -4.90 135.00 136.51 2ksp s PRO 127 Ca 0.14 0.43 0.29 0.00 0.05 0.00 0.00 61.00 61.91 2ksp s PRO 127 Cb -0.17 -2.22 1.76 0.00 0.05 0.00 0.00 34.50 33.92 2ksp s PRO 127 CO 0.14 -0.44 2.20 -1.00 0.05 0.00 0.00 177.00 177.95 2ksp h PRO 128 N -0.09 0.00 -0.31 0.56 0.13 -1.98 0.37 132.00 130.69 2ksp h PRO 128 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ksp h PRO 128 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ksp h PRO 128 CO 0.62 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.00 2ksp n HIS 129 N -3.83 0.41 0.00 1.56 1.44 -1.26 -3.66 115.22 109.88 2ksp n HIS 129 Ca -0.01 -0.20 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 2ksp n HIS 129 Cb 0.17 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.28 2ksp n HIS 129 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ksp n LEU 130 N 0.48 0.00 -4.54 2.39 4.77 0.05 -3.15 117.00 117.00 2ksp n LEU 130 Ca 0.13 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 2ksp n LEU 130 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2ksp n LEU 130 CO 0.09 0.00 0.63 -0.69 -1.33 0.00 0.00 177.39 176.10 2ksp s VAL 131 N -1.62 4.56 0.47 4.08 1.01 -0.79 -4.97 120.40 123.14 2ksp s VAL 131 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2ksp s VAL 131 Cb 0.00 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2ksp s VAL 131 CO 0.00 -0.83 1.16 -2.84 0.00 0.00 0.00 175.10 172.59 2ksp s PRO 132 N 3.50 3.72 0.63 2.72 0.02 -1.26 -4.91 135.00 139.42 2ksp s PRO 132 Ca 0.31 1.75 0.38 0.00 0.02 0.00 0.00 61.00 63.46 2ksp s PRO 132 Cb -0.12 -2.37 2.15 0.00 0.02 0.00 0.00 34.50 34.18 2ksp s PRO 132 CO 0.22 -0.58 2.31 -1.35 -0.33 0.00 0.00 177.00 177.28 2ksp h PRO 133 N 1.97 0.00 0.00 5.54 0.11 -1.96 -0.27 132.00 137.39 2ksp h PRO 133 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ksp h PRO 133 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ksp h PRO 133 CO 0.60 0.00 0.00 1.03 -0.21 0.00 0.00 178.00 179.42 2ksp h SER 134 N 0.00 0.00 -0.29 -2.05 0.87 -2.03 -1.49 113.55 108.56 2ksp h SER 134 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ksp h SER 134 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2ksp h SER 134 CO -0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2ksp n LYS 135 N -3.07 3.03 -3.42 2.24 4.01 -0.12 -4.97 118.16 115.87 2ksp n LYS 135 Ca -0.01 -2.77 -0.38 0.00 -0.51 0.00 0.00 58.31 54.64 2ksp n LYS 135 Cb 0.18 -1.80 -0.08 0.00 -0.51 0.00 0.00 35.03 32.82 2ksp n LYS 135 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2ksp s ARG 136 N -2.60 4.11 -0.57 1.97 1.81 -0.56 -4.98 118.95 118.13 2ksp s ARG 136 Ca 0.41 0.11 -0.27 0.00 -1.72 0.00 0.00 55.73 54.25 2ksp s ARG 136 Cb 0.32 -3.57 0.03 0.00 -0.45 0.00 0.00 34.95 31.28 2ksp s ARG 136 CO 0.10 -0.10 1.11 1.03 -0.68 0.00 0.00 175.30 176.76 2ksp s ARG 137 N 1.52 3.45 -0.36 3.54 1.81 -1.26 -4.98 118.95 122.67 2ksp s ARG 137 Ca 0.17 0.08 -0.05 0.00 -1.72 0.00 0.00 55.73 54.20 2ksp s ARG 137 Cb -0.15 -4.03 0.06 0.00 -0.45 0.00 0.00 34.95 30.39 2ksp s ARG 137 CO 0.08 -1.61 0.13 -1.58 -0.68 0.00 0.00 175.30 171.64 2ksp s HIS 138 N 4.61 3.33 -2.40 -0.53 5.65 -1.26 -5.26 115.29 119.43 2ksp s HIS 138 Ca 0.39 -1.71 0.29 0.00 0.25 0.00 0.00 55.06 54.28 2ksp s HIS 138 Cb -0.09 -2.54 1.22 0.00 -1.18 0.00 0.00 32.58 29.99 2ksp s HIS 138 CO 0.23 -0.81 1.84 0.39 -0.65 0.00 0.00 174.74 175.74