#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k56 s ILE 22 N 0.00 5.24 0.26 -1.33 2.07 -1.26 -2.30 121.20 123.88 1k56 s ILE 22 Ca 0.00 0.12 0.11 0.00 -1.41 0.00 0.00 60.65 59.47 1k56 s ILE 22 Cb 0.00 -3.35 -0.05 0.00 0.13 0.00 0.00 42.46 39.20 1k56 s ILE 22 CO 0.00 0.51 -0.10 0.42 -1.91 0.00 0.00 174.94 173.85 1k56 s THR 23 N -0.11 2.98 -0.18 4.00 -4.23 -0.34 -4.98 115.64 112.79 1k56 s THR 23 Ca 0.09 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 1k56 s THR 23 Cb -0.12 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1k56 s THR 23 CO 0.00 -0.34 0.10 -0.70 -0.54 0.00 0.00 174.62 173.14 1k56 s GLU 24 N -3.46 3.97 -0.50 3.99 2.12 -1.26 -1.10 118.70 122.46 1k56 s GLU 24 Ca 0.29 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.39 1k56 s GLU 24 Cb -0.06 -3.28 0.14 0.00 0.26 0.00 0.00 34.13 31.18 1k56 s GLU 24 CO 0.17 0.36 0.27 1.21 -0.54 0.00 0.00 175.26 176.73 1k56 s ASN 25 N 0.15 4.06 0.42 -1.70 3.84 0.10 -4.91 114.94 116.90 1k56 s ASN 25 Ca 0.07 -2.93 0.30 0.00 0.21 0.00 0.00 52.86 50.50 1k56 s ASN 25 Cb -0.12 -1.40 1.28 0.00 -0.55 0.00 0.00 41.25 40.47 1k56 s ASN 25 CO -0.00 -0.23 1.88 0.71 -2.79 0.00 0.00 177.10 176.67 1k56 h THR 26 N 5.31 0.00 0.00 -5.21 1.35 -1.81 -2.63 112.91 109.92 1k56 h THR 26 Ca -0.03 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1k56 h THR 26 Cb 0.89 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1k56 h THR 26 CO 0.61 0.00 -0.01 0.77 -0.25 0.00 0.00 175.52 176.64 1k56 h SER 27 N 0.00 0.00 0.93 5.36 4.64 -1.93 -1.00 113.55 121.55 1k56 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k56 h SER 27 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1k56 h SER 27 CO 0.00 0.01 0.00 -0.50 -0.87 0.00 0.00 176.83 175.47 1k56 h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.83 -2.92 115.95 122.53 1k56 h TRP 28 Ca -0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1k56 h TRP 28 Cb 0.20 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1k56 h TRP 28 CO 0.00 0.00 -0.02 -0.91 -1.05 0.00 0.00 178.44 176.46 1k56 h ASN 29 N 0.00 0.00 -0.86 -3.49 2.35 -1.38 -2.15 115.58 110.05 1k56 h ASN 29 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1k56 h ASN 29 Cb 0.47 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 1k56 h ASN 29 CO 0.00 0.02 0.56 0.07 -1.65 0.00 0.00 177.43 176.42 1k56 h LYS 30 N 0.00 0.74 0.00 0.81 2.10 -1.71 -0.65 116.57 117.85 1k56 h LYS 30 Ca -0.00 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1k56 h LYS 30 Cb 0.06 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1k56 h LYS 30 CO 0.00 0.49 -0.09 0.93 -2.00 0.00 0.00 179.45 178.78 1k56 h GLU 31 N 0.76 0.00 0.05 0.07 4.39 -1.63 -0.69 114.58 117.52 1k56 h GLU 31 Ca 0.41 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.79 1k56 h GLU 31 Cb 0.54 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1k56 h GLU 31 CO -0.18 0.09 -1.80 0.74 -1.16 0.00 0.00 179.01 176.70 1k56 h PHE 32 N 0.00 0.19 0.24 4.33 -1.00 -1.31 -3.36 116.94 116.03 1k56 h PHE 32 Ca -0.00 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.63 1k56 h PHE 32 Cb 0.71 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1k56 h PHE 32 CO 0.00 1.30 -0.11 0.66 -1.61 0.00 0.00 178.31 178.54 1k56 h SER 33 N 0.03 -0.27 -0.85 2.17 4.64 -0.99 0.26 113.55 118.54 1k56 h SER 33 Ca -0.33 -0.26 0.08 0.00 -0.47 0.00 0.00 61.79 60.81 1k56 h SER 33 Cb 2.02 0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 64.07 1k56 h SER 33 CO 0.09 0.18 -0.48 0.00 -0.87 0.00 0.00 176.83 175.75 1k56 n ALA 34 N -2.51 -0.49 1.15 5.18 0.00 -0.28 0.64 120.51 124.18 1k56 n ALA 34 Ca -0.09 0.74 0.14 0.00 0.00 0.00 0.00 53.44 54.23 1k56 n ALA 34 Cb 0.26 -0.15 0.55 0.00 0.00 0.00 0.00 19.45 20.12 1k56 n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k56 n GLU 35 N -5.08 0.22 -2.19 0.00 -0.58 -1.22 -4.97 120.64 106.82 1k56 n GLU 35 Ca 0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1k56 n GLU 35 Cb 0.23 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1k56 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k56 n ALA 36 N -1.34 0.00 -2.39 0.62 0.00 0.21 -5.08 120.51 112.52 1k56 n ALA 36 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1k56 n ALA 36 Cb 0.31 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 1k56 n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k56 s VAL 37 N -2.90 0.58 -0.26 0.00 -7.23 0.62 -5.00 120.40 106.20 1k56 s VAL 37 Ca 0.00 -1.64 -0.10 0.00 -1.81 0.00 0.00 61.98 58.43 1k56 s VAL 37 Cb 0.00 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1k56 s VAL 37 CO 0.00 -0.73 0.16 0.20 -0.31 0.00 0.00 175.10 174.41 1k56 s ASN 38 N -2.55 5.83 0.08 4.85 0.01 -1.26 -4.52 114.94 117.38 1k56 s ASN 38 Ca 0.04 -0.03 -0.15 0.00 -0.71 0.00 0.00 52.86 52.01 1k56 s ASN 38 Cb 0.01 -2.07 0.05 0.00 0.41 0.00 0.00 41.25 39.65 1k56 s ASN 38 CO -0.04 -0.02 0.71 0.61 -1.51 0.00 0.00 177.10 176.85 1k56 n GLY 39 N 4.86 0.72 3.00 0.66 0.00 -1.26 -1.07 105.19 112.10 1k56 n GLY 39 Ca -0.15 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 1k56 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s VAL 40 N -2.19 0.07 -0.06 1.61 0.11 0.62 -4.88 120.40 115.68 1k56 s VAL 40 Ca 0.16 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1k56 s VAL 40 Cb -0.01 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1k56 s VAL 40 CO 0.02 -0.31 -0.15 0.12 -3.33 0.00 0.00 175.10 171.46 1k56 s PHE 41 N -0.96 1.65 -0.12 1.54 5.99 -1.26 -0.90 117.98 123.93 1k56 s PHE 41 Ca -0.11 -0.58 0.03 0.00 0.00 0.00 0.00 56.93 56.28 1k56 s PHE 41 Cb -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 43.02 41.80 1k56 s PHE 41 CO 0.00 -0.26 -0.23 0.08 -0.00 0.00 0.00 175.22 174.81 1k56 s VAL 42 N 0.42 2.04 -0.05 3.12 1.01 0.11 -3.04 120.40 124.02 1k56 s VAL 42 Ca -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1k56 s VAL 42 Cb -0.15 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1k56 s VAL 42 CO 0.04 0.55 -0.04 -0.22 0.00 0.00 0.00 175.10 175.43 1k56 s LEU 43 N 0.54 1.23 -0.09 3.92 2.96 -0.02 -1.37 118.68 125.84 1k56 s LEU 43 Ca -0.14 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1k56 s LEU 43 Cb -0.17 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1k56 s LEU 43 CO 0.05 -0.07 -0.14 0.00 -1.32 0.00 0.00 176.35 174.86 1k56 s LYS 45 N 0.81 4.19 0.00 0.00 2.20 -0.82 -1.01 119.74 125.11 1k56 s LYS 45 Ca -0.11 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1k56 s LYS 45 Cb -0.16 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1k56 s LYS 45 CO 0.02 0.14 0.00 0.45 -0.36 0.00 0.00 175.35 175.60 1k56 n SER 46 N 3.94 0.00 -3.71 1.43 2.88 0.44 -4.53 113.62 114.06 1k56 n SER 46 Ca -0.12 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.33 1k56 n SER 46 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1k56 n SER 46 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1k56 s SER 47 N 0.00 -0.06 0.00 -3.46 1.04 -1.26 -4.92 113.70 105.04 1k56 s SER 47 Ca 0.00 -0.88 0.10 0.00 0.48 0.00 0.00 55.95 55.65 1k56 s SER 47 Cb 0.00 0.69 0.61 0.00 0.10 0.00 0.00 66.02 67.42 1k56 s SER 47 CO 0.00 -1.32 1.19 -1.54 0.98 0.00 0.00 173.24 172.55 1k56 n SER 48 N -0.66 0.00 0.04 7.02 3.41 -1.26 -2.54 113.62 119.63 1k56 n SER 48 Ca -0.03 -1.17 0.12 0.00 -0.26 0.00 0.00 58.87 57.53 1k56 n SER 48 Cb 0.60 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.82 1k56 n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k56 n LYS 49 N -0.72 0.15 -3.53 4.33 4.76 -1.26 -4.22 118.16 117.68 1k56 n LYS 49 Ca 0.08 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.30 1k56 n LYS 49 Cb 0.04 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.52 1k56 n LYS 49 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1k56 n SER 50 N -1.84 2.20 -4.57 4.39 7.64 -1.05 0.28 113.62 120.67 1k56 n SER 50 Ca 0.05 -3.06 -0.26 0.00 1.01 0.00 0.00 58.87 56.60 1k56 n SER 50 Cb 0.39 -0.67 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 1k56 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k56 s ALA 52 N -1.85 0.66 0.02 0.00 0.00 0.42 -1.19 121.76 119.81 1k56 s ALA 52 Ca 0.26 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 1k56 s ALA 52 Cb -0.08 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1k56 s ALA 52 CO 0.16 -0.13 0.35 -0.08 0.00 0.00 0.00 175.76 176.05 1k56 s THR 53 N -2.31 0.06 0.15 0.00 -1.32 -0.26 -0.84 115.64 111.13 1k56 s THR 53 Ca -0.02 -0.54 0.24 0.00 -1.21 0.00 0.00 61.69 60.16 1k56 s THR 53 Cb -0.04 -0.84 0.23 0.00 -1.51 0.00 0.00 72.50 70.34 1k56 s THR 53 CO -0.02 -0.30 1.83 -0.55 -2.21 0.00 0.00 174.62 173.38 1k56 h ASN 54 N 3.36 0.00 -1.89 8.08 -1.07 -1.68 0.29 115.58 122.67 1k56 h ASN 54 Ca -0.31 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 55.85 1k56 h ASN 54 Cb 1.19 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 37.14 1k56 h ASN 54 CO 0.43 0.22 -0.55 -0.62 0.07 0.00 0.00 177.43 176.99 1k56 s ASP 55 N -6.19 0.69 0.27 6.14 3.68 -1.26 -4.32 116.67 115.67 1k56 s ASP 55 Ca 0.00 -0.29 -0.03 0.00 2.13 0.00 0.00 52.55 54.36 1k56 s ASP 55 Cb 0.10 0.94 0.37 0.00 -1.45 0.00 0.00 42.92 42.88 1k56 s ASP 55 CO 0.64 -0.35 1.87 -0.07 0.13 0.00 0.00 175.17 177.39 1k56 h LEU 56 N 8.20 0.90 0.23 -1.34 3.38 -1.93 -0.78 115.31 123.96 1k56 h LEU 56 Ca -0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1k56 h LEU 56 Cb 1.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1k56 h LEU 56 CO 0.28 0.78 -0.11 0.00 0.09 0.00 0.00 178.44 179.48 1k56 h ALA 57 N 1.36 -0.30 0.00 1.53 0.00 -2.00 -3.06 119.26 116.79 1k56 h ALA 57 Ca 0.24 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1k56 h ALA 57 Cb 0.13 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1k56 h ALA 57 CO -0.03 -0.60 -0.41 -0.09 0.00 0.00 0.00 179.25 178.12 1k56 h ARG 58 N -0.44 0.00 -0.42 0.00 2.43 -1.91 -2.82 114.38 111.22 1k56 h ARG 58 Ca -0.03 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1k56 h ARG 58 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1k56 h ARG 58 CO 0.05 0.41 0.30 0.00 -1.51 0.00 0.00 179.97 179.22 1k56 h ALA 59 N 1.59 2.32 -0.01 2.80 0.00 -1.04 -1.47 119.26 123.44 1k56 h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k56 h ALA 59 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1k56 h ALA 59 CO 0.05 -0.43 -0.54 -1.13 0.00 0.00 0.00 179.25 177.20 1k56 n SER 60 N -4.43 1.88 -4.75 0.00 3.41 -1.08 -2.14 113.62 106.53 1k56 n SER 60 Ca 0.07 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.84 1k56 n SER 60 Cb 0.46 0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 1k56 n SER 60 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k56 s LYS 61 N -2.54 4.61 -0.13 4.33 1.02 -0.55 -4.74 119.74 121.73 1k56 s LYS 61 Ca 0.17 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 57.82 1k56 s LYS 61 Cb 0.18 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1k56 s LYS 61 CO 0.61 0.13 0.25 -1.21 -0.92 0.00 0.00 175.35 174.21 1k56 s GLU 62 N -0.90 3.97 0.16 1.68 2.02 -1.26 -4.03 118.70 120.34 1k56 s GLU 62 Ca 0.47 0.05 0.08 0.00 0.02 0.00 0.00 54.97 55.59 1k56 s GLU 62 Cb -0.31 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1k56 s GLU 62 CO 0.38 0.47 -0.17 0.71 0.02 0.00 0.00 175.26 176.67 1k56 s TYR 63 N -0.23 1.72 0.02 1.61 1.51 -0.19 -4.60 117.35 117.19 1k56 s TYR 63 Ca 0.16 -0.50 -0.37 0.00 -1.01 0.00 0.00 57.07 55.35 1k56 s TYR 63 Cb -0.13 -0.86 -0.16 0.00 -0.11 0.00 0.00 41.96 40.70 1k56 s TYR 63 CO 0.05 0.29 1.43 1.28 -1.11 0.00 0.00 175.55 177.49 1k56 n LEU 64 N 0.28 1.84 0.21 -1.29 7.99 -1.25 -1.18 117.00 123.60 1k56 n LEU 64 Ca -0.13 1.11 0.10 0.00 -0.01 0.00 0.00 56.01 57.07 1k56 n LEU 64 Cb 0.57 -1.19 0.37 0.00 -0.11 0.00 0.00 43.42 43.07 1k56 n LEU 64 CO 0.29 -0.90 0.76 1.55 -1.51 0.00 0.00 177.39 177.58 1k56 h PRO 65 N 5.14 0.00 0.00 3.23 0.13 -1.76 -3.47 132.00 135.27 1k56 h PRO 65 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k56 h PRO 65 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1k56 h PRO 65 CO 0.82 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 1k56 n ALA 66 N -2.20 0.00 0.65 -0.56 0.00 -0.13 -2.28 120.51 116.00 1k56 n ALA 66 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1k56 n ALA 66 Cb 0.48 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.28 1k56 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k56 n SER 67 N 0.28 0.00 0.30 0.00 7.64 -1.26 -1.12 113.62 119.45 1k56 n SER 67 Ca 0.00 0.12 0.18 0.00 1.01 0.00 0.00 58.87 60.19 1k56 n SER 67 Cb 0.00 -0.31 0.87 0.00 -1.01 0.00 0.00 64.21 63.77 1k56 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k56 h THR 68 N 0.00 0.10 0.00 0.44 1.35 -1.51 -3.40 112.91 109.89 1k56 h THR 68 Ca 0.00 -0.36 -0.53 0.00 -0.55 0.00 0.00 66.41 64.97 1k56 h THR 68 Cb 0.14 1.32 0.10 0.00 -1.73 0.00 0.00 68.15 67.99 1k56 h THR 68 CO 0.00 0.02 1.62 0.33 -0.25 0.00 0.00 175.52 177.24 1k56 n PHE 69 N -3.18 0.54 0.00 4.73 7.35 -0.27 -2.54 117.46 124.09 1k56 n PHE 69 Ca -0.01 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 55.78 1k56 n PHE 69 Cb 0.22 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.03 1k56 n PHE 69 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1k56 n LYS 70 N 7.21 0.00 0.00 -4.13 4.81 -1.26 -1.58 118.16 123.21 1k56 n LYS 70 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1k56 n LYS 70 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 1k56 n LYS 70 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1k56 n ILE 71 N 0.00 0.00 -0.31 3.15 5.41 -1.05 -5.64 119.36 120.92 1k56 n ILE 71 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1k56 n ILE 71 Cb 0.00 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.07 1k56 n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k56 h PRO 72 N 0.00 1.20 -0.75 0.38 0.13 -1.76 -2.48 132.00 128.72 1k56 h PRO 72 Ca 0.00 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1k56 h PRO 72 Cb 0.00 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 30.83 1k56 h PRO 72 CO 0.00 0.83 0.48 -0.97 -0.23 0.00 0.00 178.00 178.11 1k56 h ASN 73 N 1.23 0.81 -0.63 1.44 -0.00 -1.66 0.97 115.58 117.75 1k56 h ASN 73 Ca 0.32 -0.01 -0.08 0.00 -0.00 0.00 0.00 56.30 56.54 1k56 h ASN 73 Cb -0.08 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.03 1k56 h ASN 73 CO -0.06 0.57 0.09 0.00 -0.00 0.00 0.00 177.43 178.03 1k56 h ALA 74 N 1.30 0.83 -0.50 1.57 0.00 -1.76 0.23 119.26 120.94 1k56 h ALA 74 Ca 0.29 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1k56 h ALA 74 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1k56 h ALA 74 CO -0.09 0.60 0.12 0.82 0.00 0.00 0.00 179.25 180.70 1k56 h ILE 75 N 0.96 1.24 -0.49 0.00 2.04 -0.92 -0.77 117.51 119.57 1k56 h ILE 75 Ca 0.19 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1k56 h ILE 75 Cb 0.45 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1k56 h ILE 75 CO 0.01 0.31 -0.07 0.40 0.00 0.00 0.00 178.15 178.80 1k56 h ILE 76 N 0.69 1.27 -0.65 -0.67 2.04 -0.64 -1.11 117.51 118.43 1k56 h ILE 76 Ca 0.16 -1.19 0.11 0.00 1.00 0.00 0.00 64.86 64.93 1k56 h ILE 76 Cb 0.33 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 1k56 h ILE 76 CO 0.00 0.41 0.25 1.23 0.00 0.00 0.00 178.15 180.04 1k56 h GLY 77 N 0.76 0.93 0.97 5.37 0.00 -0.29 -0.53 103.07 110.28 1k56 h GLY 77 Ca 0.13 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1k56 h GLY 77 CO 0.04 -0.03 -0.47 1.41 0.00 0.00 0.00 176.54 177.48 1k56 h LEU 78 N 0.43 0.73 -0.84 3.11 3.38 -0.81 -0.06 115.31 121.26 1k56 h LEU 78 Ca 0.34 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1k56 h LEU 78 Cb 0.44 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1k56 h LEU 78 CO -0.33 1.18 0.53 -0.33 0.09 0.00 0.00 178.44 179.58 1k56 h GLU 79 N 0.33 1.12 -0.00 1.13 4.39 -0.91 -2.72 114.58 117.91 1k56 h GLU 79 Ca -0.01 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1k56 h GLU 79 Cb 1.09 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1k56 h GLU 79 CO 0.10 0.77 -0.03 0.25 -1.16 0.00 0.00 179.01 178.94 1k56 n THR 80 N -4.47 0.00 -0.40 1.13 -2.24 -0.23 -4.92 114.28 103.14 1k56 n THR 80 Ca 0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1k56 n THR 80 Cb 0.04 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1k56 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k56 n GLY 81 N 1.37 1.47 0.36 3.38 0.00 -1.03 -4.92 105.19 105.83 1k56 n GLY 81 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1k56 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k56 h VAL 82 N 0.00 1.06 -3.57 1.61 2.07 -1.59 -3.35 116.25 112.48 1k56 h VAL 82 Ca 0.00 -0.32 -0.62 0.00 0.82 0.00 0.00 66.70 66.59 1k56 h VAL 82 Cb 0.00 0.06 -0.14 0.00 -1.52 0.00 0.00 31.29 29.68 1k56 h VAL 82 CO 0.00 0.17 -0.47 -0.63 0.02 0.00 0.00 177.57 176.66 1k56 s ILE 83 N -5.81 5.34 -0.03 4.57 1.01 -0.13 -4.99 121.20 121.17 1k56 s ILE 83 Ca -0.11 0.24 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 1k56 s ILE 83 Cb 0.19 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.96 1k56 s ILE 83 CO 0.79 0.34 1.15 0.50 0.00 0.00 0.00 174.94 177.71 1k56 h LYS 84 N 7.50 -0.13 0.00 2.79 3.64 -1.87 -3.39 116.57 125.10 1k56 h LYS 84 Ca -0.38 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1k56 h LYS 84 Cb 1.17 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1k56 h LYS 84 CO 0.66 0.33 0.27 0.27 -2.27 0.00 0.00 179.45 178.71 1k56 n ASN 85 N -4.92 -1.56 0.31 4.20 0.23 -1.26 -5.02 115.26 107.24 1k56 n ASN 85 Ca -0.08 -2.02 0.17 0.00 -0.53 0.00 0.00 54.58 52.12 1k56 n ASN 85 Cb 0.26 2.58 0.99 0.00 -2.08 0.00 0.00 39.78 41.54 1k56 n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k56 h GLU 86 N 0.00 0.00 -0.52 -3.83 4.11 -1.99 -2.56 114.58 109.79 1k56 h GLU 86 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1k56 h GLU 86 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1k56 h GLU 86 CO 0.30 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.10 1k56 n HIS 87 N -3.66 1.12 -1.86 2.06 8.25 -1.26 -4.51 115.22 115.36 1k56 n HIS 87 Ca -0.03 -0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 56.41 1k56 n HIS 87 Cb 0.08 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1k56 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k56 s GLN 88 N -1.74 3.97 -0.14 -0.41 0.74 -0.97 -4.95 119.66 116.16 1k56 s GLN 88 Ca 0.43 2.44 -0.03 0.00 0.05 0.00 0.00 55.36 58.25 1k56 s GLN 88 Cb 0.28 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 1k56 s GLN 88 CO 0.21 -0.59 -0.02 0.08 -0.55 0.00 0.00 175.29 174.42 1k56 s VAL 89 N -1.17 4.09 -0.46 1.34 1.01 -1.26 -3.67 120.40 120.29 1k56 s VAL 89 Ca 0.56 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1k56 s VAL 89 Cb -0.44 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1k56 s VAL 89 CO 0.58 0.52 0.41 -0.36 0.00 0.00 0.00 175.10 176.25 1k56 s PHE 90 N 0.00 3.21 0.09 5.22 0.40 0.16 -4.94 117.98 122.12 1k56 s PHE 90 Ca 0.02 -0.76 -0.16 0.00 -0.60 0.00 0.00 56.93 55.42 1k56 s PHE 90 Cb -0.13 -3.08 -0.07 0.00 0.51 0.00 0.00 43.02 40.26 1k56 s PHE 90 CO 0.02 -0.78 0.54 0.15 0.70 0.00 0.00 175.22 175.85 1k56 s LYS 91 N 1.82 4.06 0.00 0.44 1.02 -1.26 -0.81 119.74 125.01 1k56 s LYS 91 Ca 0.06 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1k56 s LYS 91 Cb -0.22 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1k56 s LYS 91 CO 0.09 0.58 0.00 1.87 -0.92 0.00 0.00 175.35 176.96 1k56 n TRP 92 N 1.33 -2.12 1.18 3.18 -0.00 -1.26 -4.95 117.44 114.79 1k56 n TRP 92 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1k56 n TRP 92 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 1k56 n TRP 92 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1k56 n GLU 103 N -0.88 0.83 -3.80 5.87 4.07 -1.26 -4.98 120.64 120.49 1k56 n GLU 103 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1k56 n GLU 103 Cb 0.00 -1.24 -0.07 0.00 -0.06 0.00 0.00 31.44 30.07 1k56 n GLU 103 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1k56 s ARG 104 N -1.41 0.88 0.39 5.31 1.70 -1.26 -5.13 118.95 119.42 1k56 s ARG 104 Ca 0.00 -0.85 -0.25 0.00 -0.47 0.00 0.00 55.73 54.17 1k56 s ARG 104 Cb 0.00 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 1k56 s ARG 104 CO 0.00 -0.29 1.07 -0.51 -1.08 0.00 0.00 175.30 174.49 1k56 s ASP 105 N -2.73 6.73 0.05 -2.89 -0.00 -1.26 -4.87 116.67 111.69 1k56 s ASP 105 Ca 0.03 2.11 0.02 0.00 -0.00 0.00 0.00 52.55 54.71 1k56 s ASP 105 Cb 0.03 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.33 1k56 s ASP 105 CO -0.10 -0.51 -0.08 -0.76 -0.00 0.00 0.00 175.17 173.72 1k56 s LEU 106 N -2.55 2.28 0.76 1.23 1.43 0.01 -4.96 118.68 116.88 1k56 s LEU 106 Ca 0.57 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1k56 s LEU 106 Cb -0.24 -0.15 0.12 0.00 0.03 0.00 0.00 46.19 45.95 1k56 s LEU 106 CO 0.30 -0.23 1.06 0.42 0.23 0.00 0.00 176.35 178.13 1k56 s THR 107 N -1.56 2.18 0.10 5.49 -4.23 -1.26 0.35 115.64 116.71 1k56 s THR 107 Ca -0.08 -0.40 -0.21 0.00 -1.18 0.00 0.00 61.69 59.82 1k56 s THR 107 Cb -0.09 -2.78 -0.10 0.00 1.34 0.00 0.00 72.50 70.87 1k56 s THR 107 CO -0.00 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.04 1k56 h LEU 108 N -0.75 0.17 -0.18 4.79 5.85 -1.79 -0.00 115.31 123.40 1k56 h LEU 108 Ca -0.40 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1k56 h LEU 108 Cb 1.27 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1k56 h LEU 108 CO 0.45 0.18 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.56 1k56 h ARG 109 N 0.14 -0.06 -0.92 1.25 2.43 -1.88 -1.84 114.38 113.50 1k56 h ARG 109 Ca 0.05 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1k56 h ARG 109 Cb 0.05 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1k56 h ARG 109 CO -0.01 -0.04 0.60 0.78 -1.51 0.00 0.00 179.97 179.80 1k56 h GLY 110 N -0.06 1.31 1.44 2.80 0.00 -1.85 -1.02 103.07 105.69 1k56 h GLY 110 Ca 0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1k56 h GLY 110 CO -0.22 0.41 -0.05 0.00 0.00 0.00 0.00 176.54 176.68 1k56 h ALA 111 N 1.46 1.15 -0.25 3.60 0.00 -0.62 -1.10 119.26 123.50 1k56 h ALA 111 Ca 0.36 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1k56 h ALA 111 Cb -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1k56 h ALA 111 CO -0.10 0.54 -0.21 0.82 0.00 0.00 0.00 179.25 180.30 1k56 h ILE 112 N 0.63 1.31 0.00 0.00 2.04 -0.97 -3.36 117.51 117.16 1k56 h ILE 112 Ca 0.12 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1k56 h ILE 112 Cb 0.47 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1k56 h ILE 112 CO 0.02 0.43 -0.34 1.56 0.00 0.00 0.00 178.15 179.82 1k56 h GLN 113 N 0.31 0.00 -6.08 2.37 1.08 -1.03 -3.46 115.11 108.29 1k56 h GLN 113 Ca 0.05 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.72 1k56 h GLN 113 Cb 0.76 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1k56 h GLN 113 CO 0.05 0.08 -0.38 0.08 -0.95 0.00 0.00 178.83 177.72 1k56 s VAL 114 N -3.20 2.37 -0.17 -0.54 1.01 -0.43 -5.08 120.40 114.36 1k56 s VAL 114 Ca 0.05 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1k56 s VAL 114 Cb 0.06 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1k56 s VAL 114 CO 0.71 0.00 1.28 -0.55 0.00 0.00 0.00 175.10 176.54 1k56 s SER 115 N -4.13 6.92 -0.42 3.32 0.15 -1.26 -4.82 113.70 113.46 1k56 s SER 115 Ca 0.44 1.68 0.09 0.00 0.70 0.00 0.00 55.95 58.86 1k56 s SER 115 Cb -0.02 -2.54 0.30 0.00 -1.71 0.00 0.00 66.02 62.06 1k56 s SER 115 CO 0.26 -0.78 0.81 0.00 1.20 0.00 0.00 173.24 174.73 1k56 n ALA 116 N 6.68 0.85 0.01 5.45 0.00 -1.26 -4.99 120.51 127.26 1k56 n ALA 116 Ca 0.14 -2.59 -0.12 0.00 0.00 0.00 0.00 53.44 50.87 1k56 n ALA 116 Cb 0.45 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 1k56 n ALA 116 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1k56 h VAL 117 N 2.03 0.00 -0.44 0.00 -1.51 -1.93 -2.41 116.25 112.00 1k56 h VAL 117 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.53 1k56 h VAL 117 Cb 0.99 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 1k56 h VAL 117 CO 0.37 0.00 0.30 -0.65 -1.23 0.00 0.00 177.57 176.35 1k56 h PRO 118 N -0.47 0.36 0.08 5.19 0.11 -1.99 -1.85 132.00 133.42 1k56 h PRO 118 Ca 0.02 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1k56 h PRO 118 Cb 0.53 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1k56 h PRO 118 CO -0.31 0.24 -0.16 0.28 -0.21 0.00 0.00 178.00 177.84 1k56 h VAL 119 N 0.37 0.64 0.00 3.15 2.07 -1.86 -0.64 116.25 119.97 1k56 h VAL 119 Ca 0.19 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.60 1k56 h VAL 119 Cb 0.29 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1k56 h VAL 119 CO -0.04 0.00 -0.55 -0.26 0.02 0.00 0.00 177.57 176.74 1k56 h PHE 120 N -0.30 0.00 -0.50 1.57 -1.00 -1.38 -1.02 116.94 114.30 1k56 h PHE 120 Ca 0.03 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1k56 h PHE 120 Cb 0.32 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1k56 h PHE 120 CO -0.17 0.55 0.24 1.96 -1.61 0.00 0.00 178.31 179.28 1k56 h GLN 121 N 0.00 0.73 -0.52 1.51 4.20 -1.23 -1.31 115.11 118.49 1k56 h GLN 121 Ca -0.01 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1k56 h GLN 121 Cb 1.30 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1k56 h GLN 121 CO 0.07 0.61 0.04 0.37 -0.67 0.00 0.00 178.83 179.25 1k56 h GLN 122 N 0.67 0.89 -0.22 1.46 5.75 -0.82 -1.66 115.11 121.18 1k56 h GLN 122 Ca 0.17 -0.26 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1k56 h GLN 122 Cb 0.12 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1k56 h GLN 122 CO -0.02 0.90 0.07 0.82 -2.65 0.00 0.00 178.83 177.95 1k56 h ILE 123 N 0.77 0.94 -0.74 2.39 2.04 -1.07 -1.86 117.51 119.97 1k56 h ILE 123 Ca 0.15 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1k56 h ILE 123 Cb 0.47 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1k56 h ILE 123 CO 0.02 0.03 0.49 0.00 0.00 0.00 0.00 178.15 178.69 1k56 h ALA 124 N 1.14 0.94 -0.53 1.87 0.00 -1.02 -0.68 119.26 120.99 1k56 h ALA 124 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1k56 h ALA 124 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1k56 h ALA 124 CO -0.11 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.55 1k56 h ARG 125 N 0.99 0.84 -0.21 0.00 3.08 -1.11 -1.48 114.38 116.49 1k56 h ARG 125 Ca 0.28 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1k56 h ARG 125 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1k56 h ARG 125 CO -0.07 0.80 -0.48 0.93 -1.07 0.00 0.00 179.97 180.08 1k56 h GLU 126 N 0.80 0.57 -0.08 0.04 5.08 -0.79 -3.01 114.58 117.18 1k56 h GLU 126 Ca 0.16 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1k56 h GLU 126 Cb 0.38 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1k56 h GLU 126 CO 0.01 0.93 0.03 0.28 -1.00 0.00 0.00 179.01 179.26 1k56 h VAL 127 N 0.45 1.14 0.00 3.13 2.07 -0.90 -3.50 116.25 118.64 1k56 h VAL 127 Ca 0.02 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1k56 h VAL 127 Cb 1.01 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1k56 h VAL 127 CO 0.09 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1k56 n GLY 128 N -0.68 -0.80 0.24 2.17 0.00 -0.58 -4.43 105.19 101.11 1k56 n GLY 128 Ca -0.06 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 1k56 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k56 h GLU 129 N 0.00 0.80 -0.19 1.61 4.81 -1.89 -0.54 114.58 119.19 1k56 h GLU 129 Ca 0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1k56 h GLU 129 Cb 0.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1k56 h GLU 129 CO 0.00 0.68 0.08 0.28 -0.73 0.00 0.00 179.01 179.33 1k56 h VAL 130 N 0.74 1.15 -0.43 0.32 2.07 -2.00 0.39 116.25 118.49 1k56 h VAL 130 Ca 0.19 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1k56 h VAL 130 Cb 0.16 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1k56 h VAL 130 CO -0.02 0.14 -0.19 0.03 0.02 0.00 0.00 177.57 177.55 1k56 h ARG 131 N 0.17 0.89 -0.38 1.57 3.08 -1.76 -2.01 114.38 115.94 1k56 h ARG 131 Ca 0.06 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.74 1k56 h ARG 131 Cb 0.15 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1k56 h ARG 131 CO -0.01 1.03 0.23 1.98 -1.07 0.00 0.00 179.97 182.14 1k56 h MET 132 N 0.71 0.46 -0.86 0.04 4.05 -0.80 -1.07 114.93 117.46 1k56 h MET 132 Ca 0.10 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1k56 h MET 132 Cb 0.76 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.41 1k56 h MET 132 CO 0.06 0.31 0.49 0.37 0.23 0.00 0.00 176.91 178.37 1k56 h GLN 133 N 0.48 1.19 -0.32 0.39 5.75 -0.82 -1.59 115.11 120.18 1k56 h GLN 133 Ca 0.14 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1k56 h GLN 133 Cb -0.02 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 1k56 h GLN 133 CO -0.05 0.85 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.68 1k56 h LYS 134 N 1.20 0.62 -0.52 1.69 3.64 -0.79 -1.96 116.57 120.46 1k56 h LYS 134 Ca 0.31 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1k56 h LYS 134 Cb -0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1k56 h LYS 134 CO -0.05 0.80 -0.01 1.88 -2.27 0.00 0.00 179.45 179.79 1k56 h TYR 135 N 0.39 0.95 -0.02 1.91 0.05 -0.94 -1.70 116.97 117.62 1k56 h TYR 135 Ca 0.08 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 1k56 h TYR 135 Cb 0.57 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1k56 h TYR 135 CO 0.05 0.87 -0.33 -0.07 -1.05 0.00 0.00 178.16 177.63 1k56 h LEU 136 N 0.82 0.04 0.15 3.88 3.38 -1.13 0.33 115.31 122.77 1k56 h LEU 136 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1k56 h LEU 136 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1k56 h LEU 136 CO 0.03 0.38 -0.07 0.50 0.09 0.00 0.00 178.44 179.36 1k56 h LYS 137 N 0.04 -0.19 -0.75 1.13 3.64 -0.99 -1.15 116.57 118.30 1k56 h LYS 137 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1k56 h LYS 137 Cb 0.61 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1k56 h LYS 137 CO 0.04 0.02 0.49 0.87 -2.27 0.00 0.00 179.45 178.61 1k56 h LYS 138 N -0.38 0.78 -0.00 1.90 1.57 -0.92 -1.57 116.57 117.94 1k56 h LYS 138 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1k56 h LYS 138 Cb 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1k56 h LYS 138 CO 0.03 0.52 -0.12 1.19 -0.57 0.00 0.00 179.45 180.50 1k56 n PHE 139 N -4.48 0.00 -4.00 -1.35 0.99 0.07 -4.75 117.46 103.94 1k56 n PHE 139 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.27 1k56 n PHE 139 Cb 0.21 -0.18 -0.03 0.00 -1.00 0.00 0.00 39.48 38.48 1k56 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k56 n SER 140 N -0.92 -0.84 -4.43 4.37 7.64 -0.58 -4.88 113.62 113.98 1k56 n SER 140 Ca 0.14 -1.08 -0.44 0.00 1.01 0.00 0.00 58.87 58.50 1k56 n SER 140 Cb 0.28 -2.71 -0.03 0.00 -1.01 0.00 0.00 64.21 60.74 1k56 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k56 s TYR 141 N -3.97 2.97 0.00 1.43 5.04 -0.54 -4.97 117.35 117.32 1k56 s TYR 141 Ca 0.09 -1.04 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1k56 s TYR 141 Cb -0.04 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1k56 s TYR 141 CO 0.91 -1.47 0.00 0.41 -1.34 0.00 0.00 175.55 174.06 1k56 n GLY 142 N 5.31 2.67 0.00 8.97 0.00 -1.26 -2.54 105.19 118.33 1k56 n GLY 142 Ca 0.06 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1k56 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k56 n ASN 143 N 0.48 0.00 -2.18 1.61 0.23 0.21 -4.89 115.26 110.71 1k56 n ASN 143 Ca 0.00 0.01 -0.18 0.00 -0.53 0.00 0.00 54.58 53.88 1k56 n ASN 143 Cb 0.00 -0.33 -0.03 0.00 -2.08 0.00 0.00 39.78 37.35 1k56 n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k56 n GLN 144 N -1.33 -1.74 -3.31 -3.83 6.02 -1.05 -4.92 117.38 107.21 1k56 n GLN 144 Ca 0.12 0.92 -0.44 0.00 -0.01 0.00 0.00 57.00 57.59 1k56 n GLN 144 Cb 0.24 -5.49 -0.07 0.00 1.02 0.00 0.00 30.24 25.94 1k56 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k56 s ASN 145 N -2.17 6.17 -0.18 1.08 3.04 -1.26 -4.92 114.94 116.70 1k56 s ASN 145 Ca 0.00 -1.25 0.16 0.00 0.04 0.00 0.00 52.86 51.81 1k56 s ASN 145 Cb 0.00 -2.22 0.66 0.00 -1.54 0.00 0.00 41.25 38.15 1k56 s ASN 145 CO 0.00 -0.75 1.57 2.30 -3.04 0.00 0.00 177.10 177.19 1k56 n ILE 146 N 5.33 2.35 -1.64 -5.21 -5.35 -1.26 -1.64 119.36 111.94 1k56 n ILE 146 Ca -0.11 -1.55 -0.32 0.00 -0.27 0.00 0.00 62.75 60.49 1k56 n ILE 146 Cb 0.44 -0.17 0.06 0.00 -1.74 0.00 0.00 39.64 38.23 1k56 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k56 s SER 147 N -1.29 5.01 0.00 7.28 1.04 -1.26 -4.33 113.70 120.15 1k56 s SER 147 Ca 0.47 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1k56 s SER 147 Cb 0.36 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1k56 s SER 147 CO 0.14 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.28 1k56 n GLY 148 N -0.80 1.08 0.00 7.32 0.00 -1.26 -2.08 105.19 109.45 1k56 n GLY 148 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1k56 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k56 n GLY 149 N -0.72 2.76 0.33 -0.02 0.00 -1.26 -4.54 105.19 101.75 1k56 n GLY 149 Ca 0.00 -1.28 0.21 0.00 0.00 0.00 0.00 46.02 44.94 1k56 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k56 h ILE 150 N 0.00 0.13 -0.38 -0.61 6.09 -1.95 -1.66 117.51 119.13 1k56 h ILE 150 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1k56 h ILE 150 Cb 0.00 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1k56 h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 1k56 n ASP 151 N -3.25 3.45 0.00 2.19 5.68 -1.26 -4.54 116.55 118.81 1k56 n ASP 151 Ca -0.03 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 1k56 n ASP 151 Cb 0.11 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 1k56 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k56 n LYS 152 N 0.36 0.00 0.26 0.11 2.85 -0.69 -4.77 118.16 116.28 1k56 n LYS 152 Ca 0.16 -0.27 0.11 0.00 -1.05 0.00 0.00 58.31 57.26 1k56 n LYS 152 Cb 0.62 -0.28 0.70 0.00 -0.65 0.00 0.00 35.03 35.41 1k56 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k56 h PHE 153 N 0.00 0.00 -0.00 5.58 -0.00 -1.62 0.11 116.94 121.01 1k56 h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k56 h PHE 153 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.93 1k56 h PHE 153 CO 0.00 0.10 -0.23 -2.67 -0.00 0.00 0.00 178.31 175.51 1k56 n TRP 154 N -3.99 0.00 -0.02 6.09 2.14 -1.26 -2.39 117.44 118.02 1k56 n TRP 154 Ca -0.02 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.52 1k56 n TRP 154 Cb 0.19 -0.18 -0.01 0.00 -0.81 0.00 0.00 31.31 30.50 1k56 n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k56 n LEU 155 N -0.91 1.78 0.00 5.67 4.77 -0.59 -0.95 117.00 126.76 1k56 n LEU 155 Ca 0.12 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1k56 n LEU 155 Cb 0.32 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1k56 n LEU 155 CO 0.26 0.34 0.22 -0.62 -1.33 0.00 0.00 177.39 176.27 1k56 n GLU 156 N -2.85 -0.15 0.00 3.23 1.02 0.28 -4.91 120.64 117.26 1k56 n GLU 156 Ca -0.06 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 1k56 n GLU 156 Cb 0.56 -0.84 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1k56 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k56 n GLY 157 N -0.07 1.65 0.51 0.62 0.00 -1.00 -4.98 105.19 101.93 1k56 n GLY 157 Ca 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.35 1k56 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k56 n GLN 158 N 0.00 1.25 -2.38 1.61 1.13 -0.89 -4.94 117.38 113.18 1k56 n GLN 158 Ca 0.00 -1.03 -0.41 0.00 -1.94 0.00 0.00 57.00 53.62 1k56 n GLN 158 Cb 0.00 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1k56 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k56 s LEU 159 N -2.45 4.45 -0.01 1.08 2.96 -0.65 -4.70 118.68 119.36 1k56 s LEU 159 Ca 0.19 2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 56.31 1k56 s LEU 159 Cb 0.18 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.26 1k56 s LEU 159 CO 0.55 -0.37 0.06 -0.13 -1.32 0.00 0.00 176.35 175.15 1k56 s ARG 160 N -0.29 0.24 -0.14 1.98 1.81 -1.26 -3.92 118.95 117.36 1k56 s ARG 160 Ca 0.52 -0.21 -0.13 0.00 -1.72 0.00 0.00 55.73 54.19 1k56 s ARG 160 Cb -0.33 0.10 0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1k56 s ARG 160 CO 0.37 -0.04 0.38 -1.50 -0.68 0.00 0.00 175.30 173.83 1k56 s ILE 161 N -0.70 0.00 0.43 1.52 2.07 -0.32 -0.62 121.20 123.58 1k56 s ILE 161 Ca -0.08 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.15 1k56 s ILE 161 Cb -0.05 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 1k56 s ILE 161 CO 0.00 -0.00 0.67 -0.94 -1.91 0.00 0.00 174.94 172.75 1k56 s SER 162 N 0.18 6.03 0.24 4.50 1.04 -1.26 -1.02 113.70 123.42 1k56 s SER 162 Ca -0.00 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.84 1k56 s SER 162 Cb -0.03 -1.81 0.29 0.00 0.10 0.00 0.00 66.02 64.57 1k56 s SER 162 CO 0.01 -0.58 1.89 0.00 0.98 0.00 0.00 173.24 175.54 1k56 h ALA 163 N 0.44 1.23 -0.49 5.32 0.00 -1.72 0.71 119.26 124.75 1k56 h ALA 163 Ca -0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1k56 h ALA 163 Cb 1.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1k56 h ALA 163 CO 0.59 0.47 0.30 0.28 0.00 0.00 0.00 179.25 180.90 1k56 h VAL 164 N 1.17 1.15 -0.39 0.00 2.07 -1.80 -1.40 116.25 117.05 1k56 h VAL 164 Ca 0.37 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1k56 h VAL 164 Cb 0.00 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1k56 h VAL 164 CO -0.12 0.15 -0.14 -1.13 0.02 0.00 0.00 177.57 176.34 1k56 h ASN 165 N 0.66 0.69 -0.54 0.57 -0.00 -1.71 -1.43 115.58 113.82 1k56 h ASN 165 Ca 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1k56 h ASN 165 Cb -0.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 38.08 1k56 h ASN 165 CO -0.03 0.85 0.36 1.56 -0.00 0.00 0.00 177.43 180.17 1k56 h GLN 166 N 0.63 0.71 -0.71 6.67 1.08 -0.43 -0.92 115.11 122.14 1k56 h GLN 166 Ca 0.10 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1k56 h GLN 166 Cb 0.60 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1k56 h GLN 166 CO 0.04 0.48 0.40 0.28 -0.95 0.00 0.00 178.83 179.07 1k56 h VAL 167 N 0.73 1.22 -0.42 -0.54 2.07 -0.75 -0.98 116.25 117.58 1k56 h VAL 167 Ca 0.20 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1k56 h VAL 167 Cb -0.08 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1k56 h VAL 167 CO -0.04 0.23 0.20 -0.33 0.02 0.00 0.00 177.57 177.66 1k56 h GLU 168 N 0.98 0.61 -0.18 1.57 5.08 -0.94 -0.42 114.58 121.28 1k56 h GLU 168 Ca 0.25 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1k56 h GLU 168 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1k56 h GLU 168 CO -0.04 0.53 0.12 0.35 -1.00 0.00 0.00 179.01 178.96 1k56 h PHE 169 N 0.54 0.22 -0.38 4.33 3.04 -0.95 -2.20 116.94 121.55 1k56 h PHE 169 Ca 0.15 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.04 1k56 h PHE 169 Cb 0.12 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1k56 h PHE 169 CO -0.01 0.15 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.33 1k56 h LEU 170 N 0.24 0.58 -0.32 0.59 3.38 -0.97 -1.60 115.31 117.20 1k56 h LEU 170 Ca 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1k56 h LEU 170 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1k56 h LEU 170 CO -0.01 0.67 0.10 -0.08 0.09 0.00 0.00 178.44 179.21 1k56 h GLU 171 N 0.57 0.50 -0.57 1.13 4.81 -0.98 0.02 114.58 120.07 1k56 h GLU 171 Ca 0.12 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1k56 h GLU 171 Cb 0.41 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1k56 h GLU 171 CO 0.02 0.54 0.33 0.77 -0.73 0.00 0.00 179.01 179.93 1k56 h SER 172 N 0.36 0.51 -0.31 1.04 0.02 -1.03 -1.64 113.55 112.51 1k56 h SER 172 Ca 0.10 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1k56 h SER 172 Cb 0.24 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1k56 h SER 172 CO -0.00 0.36 0.18 0.25 -1.14 0.00 0.00 176.83 176.47 1k56 h LEU 173 N 0.64 0.37 -0.85 5.07 5.85 -0.85 -0.04 115.31 125.50 1k56 h LEU 173 Ca 0.24 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.05 1k56 h LEU 173 Cb 0.07 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 1k56 h LEU 173 CO -0.12 0.32 0.44 0.22 -0.34 0.00 0.00 178.44 178.96 1k56 h TYR 174 N 0.39 0.78 -0.07 1.25 3.20 -0.51 -1.25 116.97 120.76 1k56 h TYR 174 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1k56 h TYR 174 Cb 0.02 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1k56 h TYR 174 CO -0.04 0.18 0.00 1.28 -1.64 0.00 0.00 178.16 177.94 1k56 n LEU 175 N -4.87 1.48 -1.82 2.82 4.77 -0.66 -4.92 117.00 113.80 1k56 n LEU 175 Ca 0.17 -0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 55.43 1k56 n LEU 175 Cb 0.44 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1k56 n LEU 175 CO 0.21 0.27 -0.21 0.59 -1.33 0.00 0.00 177.39 176.93 1k56 n ASN 176 N 0.17 -5.01 -0.31 -1.43 3.02 -0.47 -4.91 115.26 106.32 1k56 n ASN 176 Ca 0.18 0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.91 1k56 n ASN 176 Cb 0.33 -4.09 0.20 0.00 -0.61 0.00 0.00 39.78 35.61 1k56 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k56 n LYS 177 N -2.61 0.86 -1.19 3.52 5.02 -0.12 -4.82 118.16 118.82 1k56 n LYS 177 Ca -0.20 -0.61 -0.31 0.00 -2.02 0.00 0.00 58.31 55.17 1k56 n LYS 177 Cb 0.64 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 34.26 1k56 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k56 s LEU 178 N -2.56 3.05 -1.38 -0.35 1.43 -1.24 -4.87 118.68 112.76 1k56 s LEU 178 Ca 0.20 1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 1k56 s LEU 178 Cb 0.18 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.92 1k56 s LEU 178 CO 0.57 -2.27 1.97 -1.20 0.23 0.00 0.00 176.35 175.66 1k56 n SER 179 N -3.52 4.43 -3.45 2.29 7.64 -1.26 -4.75 113.62 115.00 1k56 n SER 179 Ca 0.10 -2.88 -0.11 0.00 1.01 0.00 0.00 58.87 56.99 1k56 n SER 179 Cb 0.52 -1.71 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 1k56 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k56 s ALA 180 N 3.73 -1.66 0.69 -0.43 0.00 -1.26 -5.02 121.76 117.80 1k56 s ALA 180 Ca 0.51 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1k56 s ALA 180 Cb 0.09 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1k56 s ALA 180 CO -0.00 -0.75 1.26 -1.54 0.00 0.00 0.00 175.76 174.72 1k56 s SER 181 N -2.68 4.39 0.22 0.00 1.04 -1.26 -4.87 113.70 110.54 1k56 s SER 181 Ca 0.02 2.52 -0.08 0.00 0.48 0.00 0.00 55.95 58.90 1k56 s SER 181 Cb -0.01 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.69 1k56 s SER 181 CO -0.11 -2.14 1.84 0.50 0.98 0.00 0.00 173.24 174.30 1k56 h LYS 182 N 0.17 1.21 -0.48 4.02 3.64 -1.93 -2.23 116.57 120.97 1k56 h LYS 182 Ca -0.50 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1k56 h LYS 182 Cb 1.32 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1k56 h LYS 182 CO 0.51 0.90 0.12 1.49 -2.27 0.00 0.00 179.45 180.21 1k56 h GLU 183 N 1.21 0.25 -0.10 1.90 4.81 -1.99 0.76 114.58 121.42 1k56 h GLU 183 Ca 0.30 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1k56 h GLU 183 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1k56 h GLU 183 CO -0.04 0.17 -0.55 -0.91 -0.73 0.00 0.00 179.01 176.95 1k56 h ASN 184 N 0.26 0.34 -0.43 1.04 2.35 -1.85 -1.24 115.58 116.05 1k56 h ASN 184 Ca 0.24 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1k56 h ASN 184 Cb 0.30 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1k56 h ASN 184 CO -0.29 0.82 0.04 1.56 -1.65 0.00 0.00 177.43 177.91 1k56 h GLN 185 N 0.23 0.73 -0.67 0.81 4.20 -0.88 -2.10 115.11 117.43 1k56 h GLN 185 Ca 0.00 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.53 1k56 h GLN 185 Cb 1.04 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1k56 h GLN 185 CO 0.09 0.78 0.41 -0.07 -0.67 0.00 0.00 178.83 179.36 1k56 h LEU 186 N 0.58 0.67 -0.28 1.46 3.38 -0.68 -0.14 115.31 120.30 1k56 h LEU 186 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1k56 h LEU 186 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1k56 h LEU 186 CO 0.01 0.46 0.17 0.40 0.09 0.00 0.00 178.44 179.58 1k56 h ILE 187 N 0.80 1.09 -0.47 1.22 2.04 -0.96 -1.75 117.51 119.48 1k56 h ILE 187 Ca 0.27 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.82 1k56 h ILE 187 Cb 0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1k56 h ILE 187 CO -0.11 0.09 -0.19 0.58 0.00 0.00 0.00 178.15 178.52 1k56 h VAL 188 N 0.36 1.27 -0.71 1.67 2.07 -1.18 -2.72 116.25 117.01 1k56 h VAL 188 Ca 0.10 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1k56 h VAL 188 Cb -0.01 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1k56 h VAL 188 CO -0.02 0.46 0.46 0.11 0.02 0.00 0.00 177.57 178.60 1k56 h LYS 189 N 0.82 0.89 -0.28 1.57 1.57 -0.63 -1.90 116.57 118.62 1k56 h LYS 189 Ca 0.11 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1k56 h LYS 189 Cb 0.74 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1k56 h LYS 189 CO 0.06 0.59 -0.10 1.49 -0.57 0.00 0.00 179.45 180.92 1k56 h GLU 190 N 0.92 0.46 0.00 3.15 4.81 -1.06 -1.00 114.58 121.85 1k56 h GLU 190 Ca 0.27 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1k56 h GLU 190 Cb -0.05 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1k56 h GLU 190 CO -0.08 0.57 -0.04 0.00 -0.73 0.00 0.00 179.01 178.73 1k56 h ALA 191 N 1.47 1.19 -0.01 2.92 0.00 -1.07 -2.63 119.26 121.12 1k56 h ALA 191 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k56 h ALA 191 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1k56 h ALA 191 CO 0.02 0.05 -0.20 1.28 0.00 0.00 0.00 179.25 180.41 1k56 n LEU 192 N -3.40 1.52 -4.70 0.00 4.77 -0.39 -4.76 117.00 110.05 1k56 n LEU 192 Ca -0.02 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.05 1k56 n LEU 192 Cb 0.16 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1k56 n LEU 192 CO 0.26 0.27 1.39 -0.69 -1.33 0.00 0.00 177.39 177.29 1k56 s VAL 193 N -2.31 2.64 0.00 4.08 1.01 -0.99 -1.11 120.40 123.72 1k56 s VAL 193 Ca 0.28 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1k56 s VAL 193 Cb 0.20 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1k56 s VAL 193 CO 0.45 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.91 1k56 n THR 194 N 4.58 0.00 -3.81 3.92 -2.24 -0.17 -4.91 114.28 111.65 1k56 n THR 194 Ca 0.17 -0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1k56 n THR 194 Cb 0.39 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.07 1k56 n THR 194 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1k56 s GLU 195 N -1.64 0.24 -0.12 -0.78 2.02 -1.21 -5.00 118.70 112.22 1k56 s GLU 195 Ca 0.00 0.20 -0.05 0.00 0.02 0.00 0.00 54.97 55.14 1k56 s GLU 195 Cb 0.00 0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.40 1k56 s GLU 195 CO 0.00 -0.03 0.26 0.00 0.02 0.00 0.00 175.26 175.50 1k56 s ALA 196 N -0.03 -0.57 0.12 5.21 0.00 -1.26 -1.27 121.76 123.97 1k56 s ALA 196 Ca -0.01 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1k56 s ALA 196 Cb -0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1k56 s ALA 196 CO 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 175.76 175.45 1k56 s ALA 197 N 1.80 0.65 0.30 0.00 0.00 0.04 -5.03 121.76 119.52 1k56 s ALA 197 Ca -0.04 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.65 1k56 s ALA 197 Cb -0.11 0.78 0.74 0.00 0.00 0.00 0.00 23.12 24.54 1k56 s ALA 197 CO -0.09 -0.50 1.75 -1.35 0.00 0.00 0.00 175.76 175.57 1k56 h PRO 198 N 2.85 0.62 0.00 0.00 0.11 -2.01 -2.80 132.00 130.77 1k56 h PRO 198 Ca -0.34 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1k56 h PRO 198 Cb 1.20 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1k56 h PRO 198 CO 0.58 0.41 -0.36 0.39 -0.21 0.00 0.00 178.00 178.81 1k56 n GLU 199 N -4.86 1.22 -3.63 1.05 1.02 -1.26 -4.97 120.64 109.21 1k56 n GLU 199 Ca 0.23 -2.75 -0.11 0.00 -0.02 0.00 0.00 57.16 54.51 1k56 n GLU 199 Cb 0.61 -1.35 -0.11 0.00 -0.02 0.00 0.00 31.44 30.57 1k56 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k56 s TYR 200 N -2.59 -0.59 -0.02 -0.32 6.14 -1.06 -0.79 117.35 118.13 1k56 s TYR 200 Ca 0.33 1.14 0.01 0.00 0.64 0.00 0.00 57.07 59.18 1k56 s TYR 200 Cb 0.31 0.08 0.02 0.00 0.42 0.00 0.00 41.96 42.79 1k56 s TYR 200 CO -0.04 -0.44 -0.01 -1.17 0.64 0.00 0.00 175.55 174.53 1k56 s LEU 201 N 2.50 1.45 -0.09 6.97 2.96 0.12 -0.78 118.68 131.81 1k56 s LEU 201 Ca 0.01 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1k56 s LEU 201 Cb -0.12 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.37 1k56 s LEU 201 CO -0.11 -0.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.95 1k56 s VAL 202 N 0.65 1.97 -0.17 1.68 1.01 -0.39 -0.84 120.40 124.32 1k56 s VAL 202 Ca -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1k56 s VAL 202 Cb -0.10 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1k56 s VAL 202 CO -0.01 0.54 -0.05 -1.00 0.00 0.00 0.00 175.10 174.58 1k56 s HIS 203 N 0.34 2.98 0.23 5.22 3.76 -0.36 -1.00 115.29 126.46 1k56 s HIS 203 Ca -0.18 -0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 54.06 1k56 s HIS 203 Cb -0.18 -1.98 0.03 0.00 1.11 0.00 0.00 32.58 31.56 1k56 s HIS 203 CO 0.08 -0.18 0.61 -1.54 -0.85 0.00 0.00 174.74 172.86 1k56 s SER 204 N 0.64 -0.28 -0.17 1.40 1.04 -0.27 -0.84 113.70 115.22 1k56 s SER 204 Ca -0.03 -0.52 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 1k56 s SER 204 Cb -0.15 0.65 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1k56 s SER 204 CO 0.02 -1.18 0.41 -0.75 0.98 0.00 0.00 173.24 172.72 1k56 s LYS 205 N -3.89 0.40 0.46 4.02 2.47 0.35 -4.80 119.74 118.75 1k56 s LYS 205 Ca 0.10 0.75 0.00 0.00 -1.56 0.00 0.00 55.97 55.27 1k56 s LYS 205 Cb -0.03 0.01 -0.00 0.00 -1.46 0.00 0.00 37.83 36.35 1k56 s LYS 205 CO 0.01 -0.14 0.68 0.95 0.16 0.00 0.00 175.35 177.01 1k56 s THR 206 N 1.21 3.90 0.07 3.43 -4.23 -1.26 -1.85 115.64 116.90 1k56 s THR 206 Ca -0.08 -0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 1k56 s THR 206 Cb -0.08 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.36 1k56 s THR 206 CO -0.11 -0.31 0.45 -0.83 -0.54 0.00 0.00 174.62 173.28 1k56 s GLY 207 N -4.23 -0.33 -0.30 3.99 0.00 -0.94 -3.57 107.32 101.93 1k56 s GLY 207 Ca 0.49 0.31 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 1k56 s GLY 207 CO 0.38 0.03 0.79 -0.12 0.00 0.00 0.00 173.10 174.18 1k56 s PHE 208 N -2.86 -1.05 -0.57 1.90 5.36 -1.26 -0.70 117.98 118.79 1k56 s PHE 208 Ca -0.03 1.86 0.24 0.00 -0.96 0.00 0.00 56.93 58.05 1k56 s PHE 208 Cb -0.00 0.63 0.49 0.00 -0.34 0.00 0.00 43.02 43.80 1k56 s PHE 208 CO -0.05 -0.52 1.57 0.66 -1.46 0.00 0.00 175.22 175.41 1k56 h SER 209 N 7.61 0.00 -4.38 6.13 4.64 -1.27 -3.43 113.55 122.85 1k56 h SER 209 Ca -0.19 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1k56 h SER 209 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1k56 h SER 209 CO 0.11 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1k56 n GLY 210 N 1.23 3.65 3.65 -0.77 0.00 -1.26 -4.93 105.19 106.75 1k56 n GLY 210 Ca 0.04 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1k56 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k56 s VAL 211 N -2.26 4.63 0.00 1.61 1.01 -1.26 -3.83 120.40 120.30 1k56 s VAL 211 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1k56 s VAL 211 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1k56 s VAL 211 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1k56 n GLY 212 N 3.61 2.38 3.92 4.51 0.00 -0.94 -4.81 105.19 113.86 1k56 n GLY 212 Ca 0.11 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 1k56 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k56 s THR 213 N 1.41 2.93 0.39 2.61 -4.23 -0.60 -4.36 115.64 113.79 1k56 s THR 213 Ca 0.00 -1.21 0.14 0.00 -1.18 0.00 0.00 61.69 59.44 1k56 s THR 213 Cb 0.00 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 71.16 1k56 s THR 213 CO 0.00 -0.02 1.84 -0.08 -0.54 0.00 0.00 174.62 175.81 1k56 h GLU 214 N 0.91 0.49 0.00 3.99 4.81 -1.93 -1.12 114.58 121.73 1k56 h GLU 214 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1k56 h GLU 214 Cb 1.27 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1k56 h GLU 214 CO 0.53 0.32 -1.06 -1.13 -0.73 0.00 0.00 179.01 176.95 1k56 n SER 215 N -4.56 0.64 -3.28 1.04 3.41 -1.26 -4.49 113.62 105.12 1k56 n SER 215 Ca 0.20 0.05 -0.25 0.00 -0.26 0.00 0.00 58.87 58.61 1k56 n SER 215 Cb 0.66 0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 65.23 1k56 n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k56 n ASN 216 N -2.26 0.42 -4.81 4.04 5.03 -0.70 -5.12 115.26 111.85 1k56 n ASN 216 Ca 0.01 -2.70 -0.32 0.00 0.87 0.00 0.00 54.58 52.44 1k56 n ASN 216 Cb 0.49 -0.63 0.03 0.00 -1.02 0.00 0.00 39.78 38.65 1k56 n ASN 216 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1k56 s PRO 217 N -1.03 3.14 0.75 3.52 0.04 -0.51 -1.55 135.00 139.36 1k56 s PRO 217 Ca 0.35 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1k56 s PRO 217 Cb 0.13 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1k56 s PRO 217 CO -0.12 -0.94 1.02 0.41 0.04 0.00 0.00 177.00 177.40 1k56 n GLY 218 N -1.57 -0.49 3.25 0.56 0.00 -0.59 -4.78 105.19 101.58 1k56 n GLY 218 Ca 0.08 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 1k56 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s VAL 219 N -3.11 1.67 0.02 1.61 0.11 -1.26 -0.94 120.40 118.49 1k56 s VAL 219 Ca 0.61 -1.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 1k56 s VAL 219 Cb -0.02 -1.45 -0.02 0.00 -1.53 0.00 0.00 36.38 33.35 1k56 s VAL 219 CO 0.42 0.21 -0.20 0.00 -3.33 0.00 0.00 175.10 172.21 1k56 s ALA 220 N -0.79 1.67 0.10 1.54 0.00 -0.18 -0.68 121.76 123.42 1k56 s ALA 220 Ca 0.07 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1k56 s ALA 220 Cb -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1k56 s ALA 220 CO 0.02 0.39 -0.14 -1.58 0.00 0.00 0.00 175.76 174.44 1k56 s TRP 221 N -0.66 1.31 -0.08 0.00 0.52 0.12 -0.81 118.94 119.34 1k56 s TRP 221 Ca 0.07 -0.53 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 1k56 s TRP 221 Cb -0.08 -0.71 0.04 0.00 -1.15 0.00 0.00 33.47 31.58 1k56 s TRP 221 CO 0.01 0.10 0.15 -0.46 0.02 0.00 0.00 176.95 176.77 1k56 s TRP 222 N -1.88 -0.15 0.14 -1.98 -0.00 -0.58 -2.22 118.94 112.29 1k56 s TRP 222 Ca 0.05 0.56 0.06 0.00 -0.00 0.00 0.00 56.10 56.77 1k56 s TRP 222 Cb -0.06 -0.29 -0.04 0.00 -0.00 0.00 0.00 33.47 33.07 1k56 s TRP 222 CO 0.02 -0.26 -0.13 0.14 -0.00 0.00 0.00 176.95 176.72 1k56 s VAL 223 N 2.28 1.38 -4.75 5.86 -7.23 -0.77 -0.28 120.40 116.89 1k56 s VAL 223 Ca 0.03 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1k56 s VAL 223 Cb -0.12 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1k56 s VAL 223 CO -0.05 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 1k56 n GLY 224 N 0.21 -0.50 3.32 2.32 0.00 -0.68 -0.49 105.19 109.36 1k56 n GLY 224 Ca -0.13 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1k56 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k56 s TRP 225 N -3.61 -0.30 -0.16 1.61 -2.14 -0.02 -1.12 118.94 113.20 1k56 s TRP 225 Ca 0.00 0.40 0.01 0.00 2.66 0.00 0.00 56.10 59.18 1k56 s TRP 225 Cb 0.00 0.20 0.01 0.00 -3.10 0.00 0.00 33.47 30.58 1k56 s TRP 225 CO 0.00 -0.50 -0.19 0.08 -2.66 0.00 0.00 176.95 173.68 1k56 s VAL 226 N -1.74 2.31 -0.37 -0.66 1.01 0.58 -1.22 120.40 120.30 1k56 s VAL 226 Ca -0.10 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1k56 s VAL 226 Cb -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1k56 s VAL 226 CO 0.03 0.53 0.26 -1.61 0.00 0.00 0.00 175.10 174.31 1k56 s GLU 227 N 0.94 3.21 -0.20 2.72 2.02 -0.02 -0.57 118.70 126.79 1k56 s GLU 227 Ca -0.04 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1k56 s GLU 227 Cb -0.15 -3.86 0.04 0.00 0.10 0.00 0.00 34.13 30.26 1k56 s GLU 227 CO -0.04 -0.59 -0.14 0.21 0.02 0.00 0.00 175.26 174.72 1k56 s LYS 228 N 1.69 2.38 5.66 1.61 2.20 -0.48 -0.70 119.74 132.10 1k56 s LYS 228 Ca 0.05 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1k56 s LYS 228 Cb -0.18 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1k56 s LYS 228 CO 0.10 -0.38 0.00 0.39 -0.36 0.00 0.00 175.35 175.10 1k56 n GLU 229 N 4.62 0.00 -0.42 4.03 1.02 0.03 -1.24 120.64 128.68 1k56 n GLU 229 Ca -0.17 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1k56 n GLU 229 Cb 0.47 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.17 1k56 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k56 n THR 230 N 0.00 1.45 -4.07 2.62 -2.24 -1.26 -4.95 114.28 105.83 1k56 n THR 230 Ca 0.00 -1.17 -0.24 0.00 -2.27 0.00 0.00 64.05 60.37 1k56 n THR 230 Cb 0.00 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 1k56 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k56 s GLU 231 N -1.51 3.03 -0.00 -0.78 2.56 -0.38 -5.13 118.70 116.50 1k56 s GLU 231 Ca 0.42 -0.90 0.03 0.00 0.00 0.00 0.00 54.97 54.53 1k56 s GLU 231 Cb 0.26 -2.68 -0.01 0.00 2.00 0.00 0.00 34.13 33.70 1k56 s GLU 231 CO 0.23 0.45 -0.11 0.54 -0.56 0.00 0.00 175.26 175.81 1k56 s VAL 232 N -1.91 0.84 -0.09 3.70 0.11 -1.26 -1.38 120.40 120.41 1k56 s VAL 232 Ca 0.32 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1k56 s VAL 232 Cb -0.09 -0.72 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1k56 s VAL 232 CO 0.25 0.20 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.82 1k56 s TYR 233 N -0.33 1.41 -0.02 1.54 1.51 0.26 -0.42 117.35 121.30 1k56 s TYR 233 Ca 0.03 -0.63 -0.14 0.00 -1.01 0.00 0.00 57.07 55.33 1k56 s TYR 233 Cb -0.05 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1k56 s TYR 233 CO -0.00 -0.41 0.37 -0.06 -1.11 0.00 0.00 175.55 174.34 1k56 s PHE 234 N 1.33 3.70 0.02 2.71 0.40 -0.18 -0.30 117.98 125.66 1k56 s PHE 234 Ca -0.02 0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 57.18 1k56 s PHE 234 Cb -0.14 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 1k56 s PHE 234 CO -0.04 0.64 0.09 -0.59 0.70 0.00 0.00 175.22 176.02 1k56 s PHE 235 N -1.01 0.14 -0.12 0.36 -0.12 -0.28 -0.85 117.98 116.10 1k56 s PHE 235 Ca 0.22 -0.34 -0.05 0.00 -0.05 0.00 0.00 56.93 56.71 1k56 s PHE 235 Cb -0.16 -0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.18 1k56 s PHE 235 CO 0.12 -0.30 0.27 0.00 -0.05 0.00 0.00 175.22 175.26 1k56 s ALA 236 N -1.83 -0.61 -0.01 1.99 0.00 -0.47 -1.69 121.76 119.14 1k56 s ALA 236 Ca -0.12 1.04 0.07 0.00 0.00 0.00 0.00 51.96 52.95 1k56 s ALA 236 Cb -0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1k56 s ALA 236 CO -0.01 -0.36 -0.21 0.12 0.00 0.00 0.00 175.76 175.30 1k56 s PHE 237 N 1.69 1.89 0.04 0.00 2.19 0.62 -0.71 117.98 123.70 1k56 s PHE 237 Ca -0.06 -0.36 -0.04 0.00 0.33 0.00 0.00 56.93 56.80 1k56 s PHE 237 Cb -0.11 -1.20 -0.02 0.00 -1.31 0.00 0.00 43.02 40.38 1k56 s PHE 237 CO -0.09 -0.02 0.06 0.54 1.83 0.00 0.00 175.22 177.54 1k56 s ASN 238 N -0.58 0.26 0.06 6.13 2.20 -0.07 -1.52 114.94 121.41 1k56 s ASN 238 Ca 0.08 -0.66 -0.14 0.00 -0.94 0.00 0.00 52.86 51.21 1k56 s ASN 238 Cb -0.08 0.21 0.02 0.00 -2.00 0.00 0.00 41.25 39.40 1k56 s ASN 238 CO -0.00 -0.52 0.31 0.00 -2.94 0.00 0.00 177.10 173.94 1k56 s MET 239 N -2.90 0.85 0.23 3.55 0.23 0.01 -0.27 119.30 120.99 1k56 s MET 239 Ca -0.02 -0.56 -0.30 0.00 -1.03 0.00 0.00 55.69 53.78 1k56 s MET 239 Cb 0.01 0.37 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 1k56 s MET 239 CO -0.06 -0.28 1.02 -0.51 -2.03 0.00 0.00 175.02 173.16 1k56 s ASP 240 N -2.21 7.44 -0.11 -1.18 1.01 -0.23 -1.01 116.67 120.38 1k56 s ASP 240 Ca -0.03 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.30 1k56 s ASP 240 Cb -0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.34 1k56 s ASP 240 CO -0.05 -0.03 -0.10 -0.51 0.21 0.00 0.00 175.17 174.69 1k56 s ILE 241 N -0.92 1.16 -0.03 0.77 2.07 -0.12 -4.70 121.20 119.43 1k56 s ILE 241 Ca 0.44 -0.40 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 1k56 s ILE 241 Cb -0.28 -1.13 0.06 0.00 0.13 0.00 0.00 42.46 41.24 1k56 s ILE 241 CO 0.35 0.38 0.90 -0.90 -1.91 0.00 0.00 174.94 173.77 1k56 n ASP 242 N 4.61 0.78 -3.66 4.50 3.85 -1.26 -1.54 116.55 123.83 1k56 n ASP 242 Ca -0.16 -1.96 -0.07 0.00 -0.71 0.00 0.00 54.79 51.89 1k56 n ASP 242 Cb 0.50 -0.17 -0.09 0.00 -1.35 0.00 0.00 41.12 40.02 1k56 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k56 s ASN 243 N -1.12 -0.54 0.44 -1.12 3.84 -1.26 -4.62 114.94 110.55 1k56 s ASN 243 Ca 0.07 1.13 0.13 0.00 0.21 0.00 0.00 52.86 54.40 1k56 s ASN 243 Cb 0.06 1.41 1.02 0.00 -0.55 0.00 0.00 41.25 43.19 1k56 s ASN 243 CO 0.01 -0.22 2.00 -0.08 -2.79 0.00 0.00 177.10 176.02 1k56 h GLU 244 N 7.82 0.39 0.00 0.43 4.81 -1.95 -1.01 114.58 125.07 1k56 h GLU 244 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1k56 h GLU 244 Cb 1.13 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1k56 h GLU 244 CO 0.16 0.26 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 1k56 n SER 245 N -4.47 0.30 -0.20 1.04 3.41 -1.26 -2.93 113.62 109.51 1k56 n SER 245 Ca 0.08 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1k56 n SER 245 Cb 0.30 -0.64 0.33 0.00 -0.26 0.00 0.00 64.21 63.95 1k56 n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k56 n LYS 246 N -1.83 0.66 -0.30 4.33 5.02 -0.38 -4.43 118.16 121.22 1k56 n LYS 246 Ca 0.03 -0.40 0.06 0.00 -2.02 0.00 0.00 58.31 55.98 1k56 n LYS 246 Cb 0.19 -1.49 0.21 0.00 -0.02 0.00 0.00 35.03 33.91 1k56 n LYS 246 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1k56 h LEU 247 N 0.97 0.63 -2.48 -0.35 5.85 -1.67 -0.82 115.31 117.45 1k56 h LEU 247 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1k56 h LEU 247 Cb 0.51 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1k56 h LEU 247 CO 0.00 0.31 0.00 -0.65 -0.34 0.00 0.00 178.44 177.76 1k56 h PRO 248 N 0.72 0.00 0.00 5.25 0.11 -1.86 -1.90 132.00 134.32 1k56 h PRO 248 Ca 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 1k56 h PRO 248 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1k56 h PRO 248 CO -0.31 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.40 1k56 h LEU 249 N 0.00 0.00 -2.11 2.35 3.38 -1.46 -2.11 115.31 115.35 1k56 h LEU 249 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1k56 h LEU 249 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1k56 h LEU 249 CO 0.00 0.01 0.10 0.08 0.09 0.00 0.00 178.44 178.72 1k56 h ARG 250 N 0.00 0.00 0.01 1.13 0.11 -1.53 -1.62 114.38 112.48 1k56 h ARG 250 Ca -0.00 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.70 1k56 h ARG 250 Cb 0.05 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.06 1k56 h ARG 250 CO 0.00 0.00 -2.42 1.63 0.10 0.00 0.00 179.97 179.28 1k56 n LYS 251 N -4.28 0.66 -0.02 0.08 5.02 -0.84 -4.50 118.16 114.28 1k56 n LYS 251 Ca 0.00 0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 1k56 n LYS 251 Cb 0.22 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1k56 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k56 h SER 252 N 0.01 0.84 0.31 4.39 4.64 -1.19 -1.63 113.55 120.92 1k56 h SER 252 Ca -0.56 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.23 1k56 h SER 252 Cb 1.96 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1k56 h SER 252 CO -0.06 1.29 -0.15 0.40 -0.87 0.00 0.00 176.83 177.45 1k56 h ILE 253 N 0.52 0.72 -0.85 0.95 2.04 -1.58 -1.02 117.51 118.30 1k56 h ILE 253 Ca -0.03 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.52 1k56 h ILE 253 Cb 1.29 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 1k56 h ILE 253 CO 0.14 0.08 0.50 -0.65 0.00 0.00 0.00 178.15 178.22 1k56 h PRO 254 N -0.63 0.82 -0.69 2.37 0.11 -1.76 -1.34 132.00 130.87 1k56 h PRO 254 Ca -0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1k56 h PRO 254 Cb 0.45 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1k56 h PRO 254 CO 0.07 0.54 0.44 1.15 -0.21 0.00 0.00 178.00 179.99 1k56 h THR 255 N 0.84 1.12 -0.54 -1.15 2.02 -1.02 0.40 112.91 114.58 1k56 h THR 255 Ca 0.40 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1k56 h THR 255 Cb 0.34 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1k56 h THR 255 CO -0.24 0.16 0.09 0.11 0.37 0.00 0.00 175.52 176.01 1k56 h LYS 256 N 0.87 0.90 -0.33 6.66 1.57 -0.77 0.23 116.57 125.71 1k56 h LYS 256 Ca 0.27 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1k56 h LYS 256 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1k56 h LYS 256 CO -0.09 0.87 0.07 0.82 -0.57 0.00 0.00 179.45 180.55 1k56 h ILE 257 N 0.79 1.23 -0.59 1.86 2.04 -0.90 -1.18 117.51 120.75 1k56 h ILE 257 Ca 0.16 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1k56 h ILE 257 Cb 0.41 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1k56 h ILE 257 CO 0.01 0.26 0.23 0.24 0.00 0.00 0.00 178.15 178.89 1k56 h MET 258 N 0.37 0.87 -0.42 2.37 2.86 -0.62 -1.77 114.93 118.59 1k56 h MET 258 Ca 0.10 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1k56 h MET 258 Cb 0.32 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1k56 h MET 258 CO 0.00 0.72 0.22 1.49 1.06 0.00 0.00 176.91 180.40 1k56 h GLU 259 N 0.85 0.59 0.00 1.72 4.81 -0.30 -1.53 114.58 120.72 1k56 h GLU 259 Ca 0.20 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1k56 h GLU 259 Cb 0.18 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1k56 h GLU 259 CO -0.02 0.49 -0.09 0.66 -0.73 0.00 0.00 179.01 179.32 1k56 h SER 260 N 0.53 0.00 0.15 1.04 4.64 -0.50 -0.07 113.55 119.35 1k56 h SER 260 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1k56 h SER 260 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1k56 h SER 260 CO -0.02 0.09 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.36 1k56 n GLU 261 N -3.83 1.04 -0.70 4.77 -0.58 -0.73 -4.93 120.64 115.67 1k56 n GLU 261 Ca -0.02 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 1k56 n GLU 261 Cb 0.19 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1k56 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k56 n GLY 262 N 1.17 0.73 0.20 0.62 0.00 -0.04 -4.94 105.19 102.93 1k56 n GLY 262 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1k56 n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k56 h ILE 263 N 0.00 1.31 -3.24 -0.61 2.04 -1.49 -3.43 117.51 112.10 1k56 h ILE 263 Ca 0.00 -2.08 -0.57 0.00 1.00 0.00 0.00 64.86 63.21 1k56 h ILE 263 Cb 0.00 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1k56 h ILE 263 CO 0.00 0.65 0.55 -0.63 0.00 0.00 0.00 178.15 178.72 1k56 s ILE 264 N -3.63 4.80 0.00 -0.67 1.01 -1.25 -4.87 121.20 116.58 1k56 s ILE 264 Ca -0.09 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.47 1k56 s ILE 264 Cb 0.09 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1k56 s ILE 264 CO 0.89 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.41 1k56 n GLY 265 N 3.26 0.82 0.53 6.18 0.00 -1.26 -4.92 105.19 109.79 1k56 n GLY 265 Ca 0.08 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.43 1k56 n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93