#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 4.52 0.04 1.61 0.02 -1.26 -5.00 135.00 134.93 2ksp s PRO 36 Ca 0.00 1.87 -0.25 0.00 0.02 0.00 0.00 61.00 62.64 2ksp s PRO 36 Cb 0.00 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 2ksp s PRO 36 CO 0.00 -0.02 0.78 -0.48 -0.33 0.00 0.00 177.00 176.95 2ksp s LEU 37 N -0.58 4.44 0.03 -5.54 2.34 -1.26 -5.06 118.68 113.05 2ksp s LEU 37 Ca 0.51 1.46 0.09 0.00 0.06 0.00 0.00 54.13 56.24 2ksp s LEU 37 Cb -0.33 -3.25 -0.03 0.00 -0.56 0.00 0.00 46.19 42.02 2ksp s LEU 37 CO 0.38 -0.01 -0.26 -0.83 -1.06 0.00 0.00 176.35 174.58 2ksp s GLY 38 N 0.03 1.36 -0.08 -3.48 0.00 -1.26 -5.13 107.32 98.76 2ksp s GLY 38 Ca 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2ksp s GLY 38 CO 0.23 -1.09 -0.07 -0.56 0.00 0.00 0.00 173.10 171.62 2ksp s SER 39 N -1.05 1.76 -0.90 1.64 0.01 -1.26 -5.08 113.70 108.82 2ksp s SER 39 Ca 0.11 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.91 2ksp s SER 39 Cb -0.10 -0.70 0.07 0.00 0.21 0.00 0.00 66.02 65.50 2ksp s SER 39 CO 0.01 -0.08 1.28 -1.81 0.41 0.00 0.00 173.24 173.05 2ksp s ASP 40 N 1.36 6.43 -0.62 2.44 1.11 -1.26 -4.90 116.67 121.22 2ksp s ASP 40 Ca -0.03 -1.35 0.05 0.00 0.18 0.00 0.00 52.55 51.40 2ksp s ASP 40 Cb -0.14 -2.51 0.18 0.00 1.07 0.00 0.00 42.92 41.53 2ksp s ASP 40 CO -0.03 -1.45 0.49 0.47 1.18 0.00 0.00 175.17 175.82 2ksp n ASP 41 N 8.26 2.22 -4.19 0.27 8.00 -1.26 -5.07 116.55 124.78 2ksp n ASP 41 Ca 0.21 -3.03 -0.27 0.00 0.71 0.00 0.00 54.79 52.41 2ksp n ASP 41 Cb 0.49 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.74 2ksp n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ksp s VAL 42 N -1.22 1.58 -0.12 2.53 0.11 -1.26 -5.14 120.40 116.88 2ksp s VAL 42 Ca 0.29 -0.83 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2ksp s VAL 42 Cb 0.00 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 2ksp s VAL 42 CO -0.16 0.45 0.03 -1.83 -3.33 0.00 0.00 175.10 170.25 2ksp s GLU 43 N -0.30 3.36 -0.79 1.54 -1.05 -1.26 -5.04 118.70 115.16 2ksp s GLU 43 Ca 0.04 -0.38 -0.26 0.00 -0.15 0.00 0.00 54.97 54.22 2ksp s GLU 43 Cb -0.09 -2.95 0.01 0.00 -0.44 0.00 0.00 34.13 30.66 2ksp s GLU 43 CO 0.00 0.55 1.55 -0.46 0.95 0.00 0.00 175.26 177.85 2ksp s TRP 44 N -0.44 2.11 -0.13 4.83 -0.00 -1.26 -4.82 118.94 119.24 2ksp s TRP 44 Ca 0.09 0.09 0.21 0.00 -0.00 0.00 0.00 56.10 56.48 2ksp s TRP 44 Cb -0.12 -4.43 1.14 0.00 -0.00 0.00 0.00 33.47 30.06 2ksp s TRP 44 CO 0.02 -2.07 1.62 -0.39 -0.00 0.00 0.00 176.95 176.14 2ksp h VAL 45 N 6.56 0.00 0.00 5.86 -1.51 -1.97 0.12 116.25 125.30 2ksp h VAL 45 Ca -0.13 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.19 2ksp h VAL 45 Cb 1.06 0.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 2ksp h VAL 45 CO 1.29 0.00 -0.74 0.58 -1.23 0.00 0.00 177.57 177.46 2ksp h VAL 46 N 0.00 1.16 0.00 7.19 2.07 -1.88 -3.02 116.25 121.77 2ksp h VAL 46 Ca 0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2ksp h VAL 46 Cb 0.11 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2ksp h VAL 46 CO 0.00 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.86 2ksp n GLY 47 N 1.28 -0.77 0.03 2.17 0.00 0.40 -1.95 105.19 106.35 2ksp n GLY 47 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2ksp n GLY 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ksp n LYS 48 N -1.08 0.46 -0.31 1.61 4.81 -1.14 -4.41 118.16 118.09 2ksp n LYS 48 Ca 0.15 -0.08 0.05 0.00 -0.87 0.00 0.00 58.31 57.56 2ksp n LYS 48 Cb 0.10 -1.57 0.08 0.00 0.02 0.00 0.00 35.03 33.66 2ksp n LYS 48 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ksp n ASP 49 N -2.12 1.29 -0.23 3.14 2.03 -0.82 -4.86 116.55 114.97 2ksp n ASP 49 Ca -0.01 -2.62 -0.03 0.00 0.52 0.00 0.00 54.79 52.65 2ksp n ASP 49 Cb 0.50 -0.33 0.08 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.76 -0.94 -0.67 1.79 -1.65 -3.25 116.57 112.68 2ksp h LYS 50 Ca -0.01 -0.05 0.26 0.00 -2.18 0.00 0.00 60.65 58.67 2ksp h LYS 50 Cb 1.20 -0.17 -0.14 0.00 -1.58 0.00 0.00 32.23 31.54 2ksp h LYS 50 CO 0.00 0.50 0.43 -1.00 -1.08 0.00 0.00 179.45 178.31 2ksp h PRO 51 N 0.78 0.35 -0.33 3.15 0.13 -1.90 0.18 132.00 134.35 2ksp h PRO 51 Ca 0.27 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 65.21 2ksp h PRO 51 Cb 0.06 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.11 2ksp h PRO 51 CO -0.12 0.23 -0.45 1.15 -0.23 0.00 0.00 178.00 178.57 2ksp h THR 52 N 0.36 1.28 0.00 1.56 2.02 -1.98 -1.69 112.91 114.45 2ksp h THR 52 Ca 0.62 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 2ksp h THR 52 Cb 1.28 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 2ksp h THR 52 CO -0.58 0.54 -0.19 1.88 0.37 0.00 0.00 175.52 177.54 2ksp h TYR 53 N 0.68 0.00 -0.02 3.16 0.05 -0.90 -2.23 116.97 117.72 2ksp h TYR 53 Ca 0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.71 2ksp h TYR 53 Cb 1.05 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.80 2ksp h TYR 53 CO 0.07 0.19 -0.42 0.22 -1.05 0.00 0.00 178.16 177.17 2ksp h ASP 54 N 0.00 0.40 -0.01 3.88 3.58 -0.56 -1.40 116.42 122.31 2ksp h ASP 54 Ca -0.00 -0.74 0.01 0.00 0.42 0.00 0.00 57.03 56.72 2ksp h ASP 54 Cb 0.70 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2ksp h ASP 54 CO 0.02 1.08 -0.03 -0.33 -2.88 0.00 0.00 179.24 177.10 2ksp h GLU 55 N -0.24 -0.05 -0.64 0.28 5.08 -1.13 -1.95 114.58 115.93 2ksp h GLU 55 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2ksp h GLU 55 Cb 1.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2ksp h GLU 55 CO 0.08 -0.04 0.22 0.82 -1.00 0.00 0.00 179.01 179.10 2ksp h ILE 56 N -0.06 1.24 -0.28 3.13 2.04 -1.46 -1.65 117.51 120.48 2ksp h ILE 56 Ca 0.02 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2ksp h ILE 56 Cb 0.08 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2ksp h ILE 56 CO -0.04 0.31 0.13 0.15 0.00 0.00 0.00 178.15 178.70 2ksp h PHE 57 N 0.91 0.24 0.00 1.37 3.57 -1.04 -2.37 116.94 119.62 2ksp h PHE 57 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2ksp h PHE 57 Cb 0.26 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2ksp h PHE 57 CO 0.02 0.13 -0.07 1.88 -2.23 0.00 0.00 178.31 178.04 2ksp h TYR 58 N 0.28 0.00 0.00 0.41 0.05 -1.20 -2.64 116.97 113.86 2ksp h TYR 58 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2ksp h TYR 58 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2ksp h TYR 58 CO -0.10 0.07 0.00 0.25 -1.05 0.00 0.00 178.16 177.33 2ksp n THR 59 N -3.14 0.46 1.16 -2.88 -2.24 -0.64 -2.82 114.28 104.18 2ksp n THR 59 Ca 0.02 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 2ksp n THR 59 Cb 0.48 -0.64 0.37 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.98 2.00 -2.32 3.22 4.77 -0.94 -5.00 117.00 116.75 2ksp n LEU 60 Ca 0.06 -0.78 -0.00 0.00 -0.03 0.00 0.00 56.01 55.25 2ksp n LEU 60 Cb 0.37 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2ksp n LEU 60 CO 0.27 0.39 -0.34 -1.20 -1.33 0.00 0.00 177.39 175.18 2ksp n SER 61 N 0.55 -6.04 -4.74 -1.43 7.64 -1.13 -4.88 113.62 103.59 2ksp n SER 61 Ca 0.17 0.98 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2ksp n SER 61 Cb 0.40 -3.95 -0.05 0.00 -1.01 0.00 0.00 64.21 59.61 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 -1.10 4.74 -0.29 1.43 0.02 -1.26 -4.69 135.00 133.85 2ksp s PRO 62 Ca -0.00 1.53 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 2ksp s PRO 62 Cb 0.00 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 31.21 2ksp s PRO 62 CO 0.53 0.30 0.07 0.08 -0.33 0.00 0.00 177.00 177.65 2ksp s VAL 63 N -0.55 3.89 -1.48 3.83 1.01 0.16 -4.67 120.40 122.59 2ksp s VAL 63 Ca 0.45 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2ksp s VAL 63 Cb -0.26 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2ksp s VAL 63 CO 0.32 0.12 0.15 -0.46 0.00 0.00 0.00 175.10 175.23 2ksp n ASN 64 N 4.85 0.01 0.00 3.32 6.94 -1.26 -1.77 115.26 127.35 2ksp n ASN 64 Ca -0.15 -1.26 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 2ksp n ASN 64 Cb 0.48 -1.75 0.00 0.00 -2.36 0.00 0.00 39.78 36.15 2ksp n ASN 64 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ksp n GLY 65 N -2.45 0.77 3.19 4.83 0.00 -1.26 -5.03 105.19 105.25 2ksp n GLY 65 Ca -0.29 0.00 -0.13 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 -0.68 0.60 0.16 1.61 1.02 -0.73 -4.51 119.74 117.22 2ksp s LYS 66 Ca 0.00 -0.25 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 2ksp s LYS 66 Cb 0.00 0.26 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 2ksp s LYS 66 CO 0.00 -0.16 0.49 0.96 -0.92 0.00 0.00 175.35 175.72 2ksp s ILE 67 N -1.32 4.98 0.56 2.17 -4.36 -0.32 0.38 121.20 123.29 2ksp s ILE 67 Ca -0.14 0.50 -0.16 0.00 -0.26 0.00 0.00 60.65 60.59 2ksp s ILE 67 Cb -0.06 -3.65 -0.06 0.00 1.25 0.00 0.00 42.46 39.94 2ksp s ILE 67 CO 0.03 0.11 1.02 0.42 0.24 0.00 0.00 174.94 176.76 2ksp s THR 68 N -1.61 4.27 -0.14 8.37 -4.23 -1.26 -1.72 115.64 119.31 2ksp s THR 68 Ca 0.41 1.05 0.24 0.00 -1.18 0.00 0.00 61.69 62.21 2ksp s THR 68 Cb -0.13 -3.60 0.25 0.00 1.34 0.00 0.00 72.50 70.36 2ksp s THR 68 CO 0.20 -0.66 1.74 1.23 -0.54 0.00 0.00 174.62 176.60 2ksp h GLY 69 N 0.61 0.00 0.82 3.99 0.00 -1.93 -2.81 103.07 103.74 2ksp h GLY 69 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2ksp h GLY 69 CO 0.60 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.86 2ksp h ALA 70 N 2.03 -0.77 -0.42 3.60 0.00 -1.96 -0.27 119.26 121.47 2ksp h ALA 70 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2ksp h ALA 70 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ksp h ALA 70 CO 0.00 -0.84 -0.20 -0.91 0.00 0.00 0.00 179.25 177.30 2ksp h ASN 71 N -0.96 0.83 0.26 0.00 4.21 -1.84 -1.95 115.58 116.12 2ksp h ASN 71 Ca -0.08 -0.29 -0.12 0.00 1.21 0.00 0.00 56.30 57.02 2ksp h ASN 71 Cb 0.65 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2ksp h ASN 71 CO 0.13 1.01 -0.45 0.00 -1.29 0.00 0.00 177.43 176.83 2ksp h ALA 72 N 1.05 1.05 -0.55 -0.83 0.00 -1.60 -1.44 119.26 116.95 2ksp h ALA 72 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2ksp h ALA 72 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2ksp h ALA 72 CO 0.06 0.62 0.17 -0.22 0.00 0.00 0.00 179.25 179.88 2ksp h LYS 73 N 0.20 0.85 -0.43 0.00 3.64 -0.41 -1.18 116.57 119.25 2ksp h LYS 73 Ca 0.01 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 2ksp h LYS 73 Cb 0.88 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2ksp h LYS 73 CO 0.07 0.78 -0.21 0.87 -2.27 0.00 0.00 179.45 178.70 2ksp h LYS 74 N 0.76 0.85 -0.41 1.90 1.57 -1.12 -1.94 116.57 118.18 2ksp h LYS 74 Ca 0.18 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2ksp h LYS 74 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2ksp h LYS 74 CO -0.01 0.98 0.21 1.49 -0.57 0.00 0.00 179.45 181.56 2ksp h GLU 75 N 0.74 0.58 -0.29 3.15 4.57 -1.05 -0.32 114.58 121.96 2ksp h GLU 75 Ca 0.10 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2ksp h GLU 75 Cb 0.74 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2ksp h GLU 75 CO 0.06 0.48 0.10 0.52 -1.18 0.00 0.00 179.01 178.99 2ksp h MET 76 N 0.53 0.22 0.00 1.92 2.86 -0.96 -1.41 114.93 118.09 2ksp h MET 76 Ca 0.14 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2ksp h MET 76 Cb 0.08 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2ksp h MET 76 CO -0.02 0.15 -0.10 -0.39 1.06 0.00 0.00 176.91 177.60 2ksp h VAL 77 N 0.23 0.23 0.00 -2.22 -1.51 -1.23 -2.15 116.25 109.60 2ksp h VAL 77 Ca 0.13 -0.91 -0.06 0.00 -1.23 0.00 0.00 66.70 64.64 2ksp h VAL 77 Cb 0.10 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2ksp h VAL 77 CO -0.14 0.10 -0.26 0.11 -1.23 0.00 0.00 177.57 176.15 2ksp h LYS 78 N 0.00 0.00 -0.00 5.19 1.57 -0.02 -2.28 116.57 121.03 2ksp h LYS 78 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ksp h LYS 78 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2ksp h LYS 78 CO 0.01 0.26 -0.02 0.43 -0.57 0.00 0.00 179.45 179.57 2ksp n SER 79 N -3.52 0.26 -0.39 0.86 7.64 -0.72 -4.90 113.62 112.85 2ksp n SER 79 Ca -0.00 -0.85 -0.05 0.00 1.01 0.00 0.00 58.87 58.97 2ksp n SER 79 Cb 0.42 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.89 -0.85 -3.00 1.43 4.01 -0.86 -5.01 118.16 112.99 2ksp n LYS 80 Ca 0.20 0.55 -0.37 0.00 -0.51 0.00 0.00 58.31 58.19 2ksp n LYS 80 Cb 0.19 -4.39 -0.06 0.00 -0.51 0.00 0.00 35.03 30.26 2ksp n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ksp s LEU 81 N -1.17 4.39 0.68 -0.35 2.01 -1.24 -5.04 118.68 117.96 2ksp s LEU 81 Ca 0.00 1.57 -0.17 0.00 0.01 0.00 0.00 54.13 55.54 2ksp s LEU 81 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 46.19 42.57 2ksp s LEU 81 CO 0.00 0.04 1.23 -2.84 1.01 0.00 0.00 176.35 175.80 2ksp s PRO 82 N -1.84 2.42 0.30 1.29 0.02 -1.26 -4.68 135.00 131.25 2ksp s PRO 82 Ca 0.43 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.33 2ksp s PRO 82 Cb -0.18 -1.85 0.53 0.00 0.02 0.00 0.00 34.50 33.01 2ksp s PRO 82 CO 0.23 -1.65 1.92 -0.91 -0.33 0.00 0.00 177.00 176.26 2ksp h ASN 83 N 0.19 0.90 -0.81 2.53 4.21 -1.98 -0.11 115.58 120.51 2ksp h ASN 83 Ca -0.49 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.08 2ksp h ASN 83 Cb 1.31 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 38.27 2ksp h ASN 83 CO 0.52 0.59 0.53 0.74 -1.29 0.00 0.00 177.43 178.51 2ksp h THR 84 N 1.03 1.06 0.05 2.81 2.02 -1.99 0.14 112.91 118.03 2ksp h THR 84 Ca 0.37 -0.31 -0.26 0.00 0.77 0.00 0.00 66.41 66.98 2ksp h THR 84 Cb 0.16 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2ksp h THR 84 CO -0.13 0.17 -1.09 0.58 0.37 0.00 0.00 175.52 175.42 2ksp h VAL 85 N 0.90 1.37 -0.47 3.16 2.07 -1.42 -2.09 116.25 119.77 2ksp h VAL 85 Ca 0.34 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.33 2ksp h VAL 85 Cb 0.19 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 2ksp h VAL 85 CO -0.12 0.76 0.27 -0.07 0.02 0.00 0.00 177.57 178.43 2ksp h LEU 86 N 0.24 0.59 -1.19 2.57 4.07 -0.68 0.16 115.31 121.07 2ksp h LEU 86 Ca -0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 2ksp h LEU 86 Cb 1.75 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 43.31 2ksp h LEU 86 CO 0.20 0.50 0.36 1.23 -1.08 0.00 0.00 178.44 179.65 2ksp h GLY 87 N 0.63 0.99 0.68 0.83 0.00 -0.69 0.31 103.07 105.82 2ksp h GLY 87 Ca 0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2ksp h GLY 87 CO -0.03 0.42 -0.03 1.70 0.00 0.00 0.00 176.54 178.60 2ksp h LYS 88 N 0.93 0.17 -0.26 4.80 3.64 -0.77 -0.09 116.57 125.00 2ksp h LYS 88 Ca 0.24 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2ksp h LYS 88 Cb 0.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2ksp h LYS 88 CO -0.04 0.52 0.04 0.82 -2.27 0.00 0.00 179.45 178.52 2ksp h ILE 89 N -0.19 0.87 0.12 2.00 1.08 -0.46 -1.84 117.51 119.09 2ksp h ILE 89 Ca 0.02 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2ksp h ILE 89 Cb 0.47 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2ksp h ILE 89 CO 0.01 0.02 -0.06 -0.25 -0.69 0.00 0.00 178.15 177.19 2ksp h TRP 90 N 0.14 -0.15 0.00 1.37 2.91 -0.90 0.16 115.95 119.48 2ksp h TRP 90 Ca 0.12 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 2ksp h TRP 90 Cb 0.13 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.82 2ksp h TRP 90 CO -0.17 -0.01 -0.02 -0.22 -1.03 0.00 0.00 178.44 176.99 2ksp h LYS 91 N -0.26 0.00 0.00 2.65 3.64 -0.83 0.37 116.57 122.14 2ksp h LYS 91 Ca -0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2ksp h LYS 91 Cb 0.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2ksp h LYS 91 CO 0.03 0.02 -0.71 -0.07 -2.27 0.00 0.00 179.45 176.45 2ksp h LEU 92 N 0.00 0.00 -0.78 5.20 3.38 -1.16 -3.39 115.31 118.56 2ksp h LEU 92 Ca -0.00 -0.73 -0.10 0.00 0.09 0.00 0.00 57.88 57.14 2ksp h LEU 92 Cb 0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2ksp h LEU 92 CO 0.00 1.28 -0.19 0.00 0.09 0.00 0.00 178.44 179.62 2ksp h ALA 93 N -0.27 0.96 -0.91 1.53 0.00 -0.25 -3.33 119.26 116.99 2ksp h ALA 93 Ca -0.20 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.76 2ksp h ALA 93 Cb 1.17 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 2ksp h ALA 93 CO -0.12 0.61 1.80 0.34 0.00 0.00 0.00 179.25 181.88 2ksp s ASP 94 N -6.74 6.49 0.27 0.00 2.15 0.13 -4.66 116.67 114.31 2ksp s ASP 94 Ca -0.09 -1.96 0.14 0.00 0.43 0.00 0.00 52.55 51.08 2ksp s ASP 94 Cb 0.13 -2.58 0.13 0.00 -0.30 0.00 0.00 42.92 40.31 2ksp s ASP 94 CO 0.82 -1.52 1.47 0.58 -0.17 0.00 0.00 175.17 176.35 2ksp h VAL 95 N 6.12 1.00 0.00 1.11 2.07 -1.85 -3.24 116.25 121.46 2ksp h VAL 95 Ca 0.33 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2ksp h VAL 95 Cb 0.93 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2ksp h VAL 95 CO 1.42 0.55 -0.82 -0.90 0.02 0.00 0.00 177.57 177.84 2ksp n ASP 96 N -3.30 0.68 -3.21 0.57 5.68 -1.26 -5.01 116.55 110.71 2ksp n ASP 96 Ca 0.01 0.04 -0.09 0.00 -0.50 0.00 0.00 54.79 54.26 2ksp n ASP 96 Cb 0.73 0.42 0.00 0.00 -1.14 0.00 0.00 41.12 41.13 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 -2.14 -1.56 -0.02 0.11 4.01 -1.22 -4.97 118.16 112.36 2ksp n LYS 97 Ca 0.02 1.43 -0.02 0.00 -0.51 0.00 0.00 58.31 59.24 2ksp n LYS 97 Cb 0.45 -4.81 -0.02 0.00 -0.51 0.00 0.00 35.03 30.14 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 -1.64 4.13 0.00 4.39 5.75 -1.26 -5.04 116.55 122.87 2ksp n ASP 98 Ca -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2ksp n ASP 98 Cb 0.55 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 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 2.99 2.24 0.70 6.12 0.00 -1.26 -5.07 105.19 110.91 2ksp n GLY 99 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2ksp n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksp n LEU 100 N 0.00 0.00 -3.79 0.99 4.77 -1.26 -4.50 117.00 113.21 2ksp n LEU 100 Ca 0.00 -0.46 -0.28 0.00 -0.03 0.00 0.00 56.01 55.24 2ksp n LEU 100 Cb 0.00 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 40.86 2ksp n LEU 100 CO 0.00 -0.49 -0.38 -0.22 -1.33 0.00 0.00 177.39 174.96 2ksp s LEU 101 N 0.00 1.38 0.00 2.23 1.98 -0.70 -4.96 118.68 118.61 2ksp s LEU 101 Ca 0.10 -0.78 -0.05 0.00 -2.89 0.00 0.00 54.13 50.51 2ksp s LEU 101 Cb -0.01 -0.71 0.13 0.00 0.66 0.00 0.00 46.19 46.27 2ksp s LEU 101 CO 0.06 -0.27 0.83 -0.67 -1.89 0.00 0.00 176.35 174.41 2ksp n ASP 102 N 4.98 0.63 0.07 3.68 -0.08 -1.26 -1.18 116.55 123.39 2ksp n ASP 102 Ca -0.10 -1.65 -0.16 0.00 -1.51 0.00 0.00 54.79 51.38 2ksp n ASP 102 Cb 0.47 -0.58 -0.07 0.00 2.34 0.00 0.00 41.12 43.28 2ksp n ASP 102 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2ksp h ASP 103 N -0.77 0.64 -0.33 1.67 3.58 -1.98 0.45 116.42 119.68 2ksp h ASP 103 Ca -0.27 -0.53 -0.13 0.00 0.42 0.00 0.00 57.03 56.52 2ksp h ASP 103 Cb 0.88 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2ksp h ASP 103 CO 0.25 1.34 -0.29 -0.33 -2.88 0.00 0.00 179.24 177.32 2ksp h GLU 104 N 0.26 0.77 -0.61 0.28 5.08 -1.97 -1.69 114.58 116.70 2ksp h GLU 104 Ca -0.10 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2ksp h GLU 104 Cb 1.66 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.90 2ksp h GLU 104 CO 0.18 1.02 0.08 1.49 -1.00 0.00 0.00 179.01 180.78 2ksp h GLU 105 N 0.54 1.02 -0.11 2.33 4.81 -1.81 -1.18 114.58 120.19 2ksp h GLU 105 Ca 0.06 -0.28 -0.18 0.00 -0.13 0.00 0.00 59.36 58.82 2ksp h GLU 105 Cb 0.87 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2ksp h GLU 105 CO 0.07 0.97 -0.68 0.35 -0.73 0.00 0.00 179.01 179.00 2ksp h PHE 106 N 0.92 0.59 -0.60 0.92 3.57 -0.03 0.17 116.94 122.49 2ksp h PHE 106 Ca 0.18 -0.25 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 2ksp h PHE 106 Cb 0.45 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2ksp h PHE 106 CO 0.03 0.99 -0.01 0.00 -2.23 0.00 0.00 178.31 177.09 2ksp h ALA 107 N 0.95 0.84 -0.20 2.41 0.00 -1.10 -0.20 119.26 121.95 2ksp h ALA 107 Ca -0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2ksp h ALA 107 Cb 1.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2ksp h ALA 107 CO 0.12 0.67 -0.46 -0.07 0.00 0.00 0.00 179.25 179.51 2ksp h LEU 108 N 0.97 0.55 0.30 0.00 3.38 -1.04 0.11 115.31 119.58 2ksp h LEU 108 Ca 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ksp h LEU 108 Cb 0.57 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2ksp h LEU 108 CO 0.03 0.93 -0.30 0.00 0.09 0.00 0.00 178.44 179.19 2ksp h ALA 109 N 1.10 -0.63 0.00 1.53 0.00 -0.52 0.02 119.26 120.76 2ksp h ALA 109 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2ksp h ALA 109 Cb 0.96 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2ksp h ALA 109 CO 0.08 -0.89 -0.30 -0.91 0.00 0.00 0.00 179.25 177.23 2ksp h ASN 110 N -0.63 0.00 -0.24 0.00 2.35 -0.98 -1.85 115.58 114.23 2ksp h ASN 110 Ca -0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 2ksp h ASN 110 Cb 0.57 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 2ksp h ASN 110 CO -0.05 0.30 -0.24 -0.74 -1.65 0.00 0.00 177.43 175.05 2ksp h HIS 111 N 0.00 0.70 -0.68 1.19 2.76 -0.66 0.16 115.15 118.62 2ksp h HIS 111 Ca -0.00 -0.21 -0.05 0.00 -2.20 0.00 0.00 60.37 57.90 2ksp h HIS 111 Cb 0.77 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 2ksp h HIS 111 CO 0.00 0.92 0.23 -0.07 -1.30 0.00 0.00 177.93 177.70 2ksp h LEU 112 N 0.29 0.98 -0.64 0.26 3.38 -0.72 -0.40 115.31 118.45 2ksp h LEU 112 Ca 0.04 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2ksp h LEU 112 Cb 0.80 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2ksp h LEU 112 CO 0.06 0.92 0.42 0.40 0.09 0.00 0.00 178.44 180.33 2ksp h ILE 113 N 0.99 1.15 -0.35 1.22 2.04 -1.24 -1.02 117.51 120.31 2ksp h ILE 113 Ca 0.22 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2ksp h ILE 113 Cb 0.28 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2ksp h ILE 113 CO -0.01 0.16 0.22 0.50 0.00 0.00 0.00 178.15 179.02 2ksp h LYS 114 N 0.85 0.44 -0.71 2.37 3.64 -0.09 0.12 116.57 123.19 2ksp h LYS 114 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2ksp h LYS 114 Cb -0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2ksp h LYS 114 CO -0.06 0.29 0.45 0.28 -2.27 0.00 0.00 179.45 178.14 2ksp h VAL 115 N 0.45 1.19 -0.69 2.00 2.07 -0.84 0.29 116.25 120.71 2ksp h VAL 115 Ca 0.13 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2ksp h VAL 115 Cb -0.04 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 2ksp h VAL 115 CO -0.04 0.19 0.38 0.50 0.02 0.00 0.00 177.57 178.62 2ksp h LYS 116 N 0.96 0.66 0.00 1.57 1.63 -0.75 -1.49 116.57 119.15 2ksp h LYS 116 Ca 0.26 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2ksp h LYS 116 Cb -0.08 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 2ksp h LYS 116 CO -0.05 0.44 0.00 -0.07 -3.45 0.00 0.00 179.45 176.31 2ksp h LEU 117 N 0.68 0.00 0.00 5.20 3.38 0.55 -1.66 115.31 123.47 2ksp h LEU 117 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2ksp h LEU 117 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ksp h LEU 117 CO -0.21 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.70 2ksp n GLU 118 N -2.61 0.92 -0.49 1.13 1.02 0.88 -4.85 120.64 116.64 2ksp n GLU 118 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2ksp n GLU 118 Cb 0.35 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.81 0.93 3.68 0.62 0.00 -0.62 -5.02 105.19 105.58 2ksp n GLY 119 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 -2.58 -4.60 1.61 8.25 -0.70 -5.01 115.22 110.19 2ksp n HIS 120 Ca 0.00 -1.87 -0.24 0.00 -0.26 0.00 0.00 57.72 55.35 2ksp n HIS 120 Cb 0.00 -0.59 -0.14 0.00 1.12 0.00 0.00 29.99 30.38 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 -4.67 1.28 0.23 -0.41 1.03 -1.26 -3.92 118.70 110.99 2ksp s GLU 121 Ca 0.59 -0.86 -0.30 0.00 0.03 0.00 0.00 54.97 54.44 2ksp s GLU 121 Cb -0.04 -1.35 -0.09 0.00 -0.80 0.00 0.00 34.13 31.85 2ksp s GLU 121 CO 0.38 0.35 1.00 -0.48 -1.33 0.00 0.00 175.26 175.18 2ksp s LEU 122 N -1.07 4.59 0.00 1.83 0.05 -1.26 -4.94 118.68 117.88 2ksp s LEU 122 Ca 0.06 2.04 0.16 0.00 0.05 0.00 0.00 54.13 56.44 2ksp s LEU 122 Cb -0.08 -3.61 0.88 0.00 -2.05 0.00 0.00 46.19 41.32 2ksp s LEU 122 CO 0.01 0.01 1.43 -0.81 -0.55 0.00 0.00 176.35 176.45 2ksp n PRO 123 N 1.64 0.34 -1.64 1.48 -0.04 -1.26 -4.81 135.00 130.72 2ksp n PRO 123 Ca -0.01 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 2ksp n PRO 123 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.17 -0.31 -2.55 0.55 0.00 -1.26 -4.98 120.51 110.79 2ksp n ALA 124 Ca 0.09 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.57 2ksp n ALA 124 Cb 0.10 -1.84 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.72 1.90 -0.78 0.00 1.11 -1.26 -5.09 116.67 109.82 2ksp s ASP 125 Ca 0.00 -0.37 -0.16 0.00 0.18 0.00 0.00 52.55 52.21 2ksp s ASP 125 Cb 0.00 -0.18 0.18 0.00 1.07 0.00 0.00 42.92 43.99 2ksp s ASP 125 CO 0.00 0.15 0.80 -0.76 1.18 0.00 0.00 175.17 176.53 2ksp s LEU 126 N -0.69 6.20 0.46 1.23 1.43 -1.26 -5.04 118.68 121.00 2ksp s LEU 126 Ca 0.05 -2.30 0.02 0.00 -1.03 0.00 0.00 54.13 50.86 2ksp s LEU 126 Cb -0.07 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2ksp s LEU 126 CO 0.00 -0.77 0.66 -2.16 0.23 0.00 0.00 176.35 174.32 2ksp s PRO 127 N 1.13 2.95 0.60 1.29 0.05 -1.26 -4.82 135.00 134.94 2ksp s PRO 127 Ca 0.18 -0.65 0.29 0.00 0.05 0.00 0.00 61.00 60.87 2ksp s PRO 127 Cb -0.13 -2.58 1.50 0.00 0.05 0.00 0.00 34.50 33.33 2ksp s PRO 127 CO -0.06 -0.32 1.90 -1.35 0.05 0.00 0.00 177.00 177.22 2ksp h PRO 128 N 0.40 0.00 -0.15 0.56 0.11 -1.97 0.21 132.00 131.16 2ksp h PRO 128 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ksp h PRO 128 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ksp h PRO 128 CO 0.55 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.95 2ksp n HIS 129 N -3.60 0.19 0.00 0.65 1.44 -1.26 -4.02 115.22 108.62 2ksp n HIS 129 Ca 0.07 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 2ksp n HIS 129 Cb 0.61 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.72 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 0.04 0.90 -4.67 2.39 4.77 0.56 -4.09 117.00 116.90 2ksp n LEU 130 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 2ksp n LEU 130 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2ksp n LEU 130 CO 0.11 0.15 1.01 0.68 -1.33 0.00 0.00 177.39 178.01 2ksp s VAL 131 N -1.54 4.33 0.38 4.08 -7.23 -0.12 -4.98 120.40 115.32 2ksp s VAL 131 Ca 0.00 1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 61.52 2ksp s VAL 131 Cb 0.00 -4.05 -0.10 0.00 0.56 0.00 0.00 36.38 32.79 2ksp s VAL 131 CO 0.00 -0.09 1.39 -2.84 -0.31 0.00 0.00 175.10 173.25 2ksp s PRO 132 N 2.97 4.08 0.66 4.82 0.02 -1.26 -4.84 135.00 141.44 2ksp s PRO 132 Ca 0.54 2.37 0.42 0.00 0.02 0.00 0.00 61.00 64.35 2ksp s PRO 132 Cb -0.22 -2.90 2.29 0.00 0.02 0.00 0.00 34.50 33.69 2ksp s PRO 132 CO 0.16 -0.48 2.29 -1.35 -0.33 0.00 0.00 177.00 177.29 2ksp h PRO 133 N 2.93 0.00 0.00 5.54 0.11 -1.94 -1.39 132.00 137.25 2ksp h PRO 133 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2ksp h PRO 133 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2ksp h PRO 133 CO 0.64 0.00 -0.08 0.66 -0.21 0.00 0.00 178.00 179.01 2ksp h SER 134 N 0.00 0.00 0.01 -2.05 4.64 -2.03 -2.01 113.55 112.11 2ksp h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ksp h SER 134 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2ksp h SER 134 CO 0.00 0.08 -0.67 0.29 -0.87 0.00 0.00 176.83 175.66 2ksp n LYS 135 N -3.30 0.71 -2.62 4.77 4.01 -0.52 -4.95 118.16 116.26 2ksp n LYS 135 Ca -0.01 -0.58 -0.41 0.00 -0.51 0.00 0.00 58.31 56.80 2ksp n LYS 135 Cb 0.28 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.27 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 -2.69 4.59 -0.09 1.97 1.81 -0.76 -5.04 118.95 118.74 2ksp s ARG 136 Ca 0.15 1.56 0.03 0.00 -1.72 0.00 0.00 55.73 55.75 2ksp s ARG 136 Cb 0.17 -3.37 -0.01 0.00 -0.45 0.00 0.00 34.95 31.29 2ksp s ARG 136 CO 0.69 0.02 -0.20 -0.98 -0.68 0.00 0.00 175.30 174.15 2ksp s ARG 137 N 0.39 2.93 -0.07 3.54 1.70 -1.26 -5.03 118.95 121.14 2ksp s ARG 137 Ca 0.51 -0.81 -0.03 0.00 -0.47 0.00 0.00 55.73 54.93 2ksp s ARG 137 Cb -0.25 -2.36 -0.04 0.00 -0.57 0.00 0.00 34.95 31.73 2ksp s ARG 137 CO 0.30 0.30 0.08 -3.38 -1.08 0.00 0.00 175.30 171.52 2ksp s HIS 138 N 0.07 3.36 -2.94 5.89 -3.43 -1.26 -5.26 115.29 111.72 2ksp s HIS 138 Ca -0.09 0.32 0.24 0.00 -0.80 0.00 0.00 55.06 54.73 2ksp s HIS 138 Cb -0.15 -1.83 0.29 0.00 -1.43 0.00 0.00 32.58 29.46 2ksp s HIS 138 CO 0.06 0.59 1.32 -1.91 -2.00 0.00 0.00 174.74 172.79