#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k57 s THR 23 N 0.00 4.14 -0.19 9.51 -4.23 -0.42 -4.98 115.64 119.47 1k57 s THR 23 Ca 0.00 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 1k57 s THR 23 Cb 0.00 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 1k57 s THR 23 CO 0.00 -0.32 0.22 -0.70 -0.54 0.00 0.00 174.62 173.28 1k57 s GLU 24 N -3.85 4.21 -0.50 3.99 2.12 -1.26 -1.80 118.70 121.61 1k57 s GLU 24 Ca 0.34 -0.07 -0.05 0.00 0.36 0.00 0.00 54.97 55.55 1k57 s GLU 24 Cb -0.07 -3.44 0.13 0.00 0.26 0.00 0.00 34.13 31.01 1k57 s GLU 24 CO 0.24 0.23 0.33 1.21 -0.54 0.00 0.00 175.26 176.73 1k57 s ASN 25 N 0.53 5.44 0.49 -1.70 3.84 0.18 -4.92 114.94 118.81 1k57 s ASN 25 Ca 0.12 -2.24 0.26 0.00 0.21 0.00 0.00 52.86 51.21 1k57 s ASN 25 Cb -0.12 -1.90 1.26 0.00 -0.55 0.00 0.00 41.25 39.94 1k57 s ASN 25 CO 0.02 -0.54 1.98 0.71 -2.79 0.00 0.00 177.10 176.48 1k57 h THR 26 N 5.95 0.56 0.00 -5.21 1.35 -1.85 -2.60 112.91 111.12 1k57 h THR 26 Ca -0.11 -0.75 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1k57 h THR 26 Cb 1.03 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1k57 h THR 26 CO 0.75 0.16 -0.16 0.77 -0.25 0.00 0.00 175.52 176.79 1k57 h SER 27 N 0.00 0.00 0.42 5.36 4.64 -1.95 -2.26 113.55 119.76 1k57 h SER 27 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1k57 h SER 27 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1k57 h SER 27 CO 0.02 0.16 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.61 1k57 h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.85 -2.20 115.95 123.22 1k57 h TRP 28 Ca -0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1k57 h TRP 28 Cb 0.52 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.81 1k57 h TRP 28 CO 0.00 0.03 -0.03 -0.91 -1.05 0.00 0.00 178.44 176.48 1k57 h ASN 29 N 0.00 0.00 -0.64 -3.49 2.35 -1.58 -2.06 115.58 110.16 1k57 h ASN 29 Ca -0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 1k57 h ASN 29 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1k57 h ASN 29 CO 0.00 0.03 0.44 0.11 -1.65 0.00 0.00 177.43 176.37 1k57 h LYS 30 N 0.00 0.26 0.00 0.81 1.57 -1.59 0.59 116.57 118.20 1k57 h LYS 30 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1k57 h LYS 30 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1k57 h LYS 30 CO 0.00 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.45 1k57 n GLU 31 N -4.44 0.24 -0.03 3.15 -0.58 -0.77 -3.04 120.64 115.17 1k57 n GLU 31 Ca 0.12 0.32 0.05 0.00 -0.42 0.00 0.00 57.16 57.22 1k57 n GLU 31 Cb 0.52 -1.85 -0.16 0.00 -0.57 0.00 0.00 31.44 29.38 1k57 n GLU 31 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1k57 n PHE 32 N -2.29 0.04 -0.09 -0.32 3.01 0.13 -4.58 117.46 113.35 1k57 n PHE 32 Ca 0.04 0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.38 1k57 n PHE 32 Cb 0.35 -0.66 -0.04 0.00 -0.01 0.00 0.00 39.48 39.11 1k57 n PHE 32 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1k57 h SER 33 N 0.00 0.76 0.05 4.37 4.64 -1.29 -0.10 113.55 121.99 1k57 h SER 33 Ca -0.16 -0.48 0.02 0.00 -0.47 0.00 0.00 61.79 60.71 1k57 h SER 33 Cb 1.37 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 1k57 h SER 33 CO 0.01 1.08 -0.46 0.00 -0.87 0.00 0.00 176.83 176.59 1k57 h ALA 34 N 0.70 -0.78 -0.05 5.18 0.00 -1.81 -1.27 119.26 121.23 1k57 h ALA 34 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k57 h ALA 34 Cb 0.87 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1k57 h ALA 34 CO 0.07 -1.02 0.00 0.39 0.00 0.00 0.00 179.25 178.70 1k57 n GLU 35 N -5.46 1.14 -3.82 0.00 -0.58 -1.21 -4.90 120.64 105.80 1k57 n GLU 35 Ca -0.07 -0.21 -0.29 0.00 -0.42 0.00 0.00 57.16 56.17 1k57 n GLU 35 Cb 0.39 -1.15 0.03 0.00 -0.57 0.00 0.00 31.44 30.14 1k57 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k57 n ALA 36 N -0.43 -1.25 -2.33 0.62 0.00 -0.48 -4.93 120.51 111.71 1k57 n ALA 36 Ca 0.07 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 1k57 n ALA 36 Cb 0.07 -4.45 -0.06 0.00 0.00 0.00 0.00 19.45 15.01 1k57 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k57 s VAL 37 N -3.27 4.74 -0.45 0.00 1.01 -0.14 -5.01 120.40 117.29 1k57 s VAL 37 Ca 0.63 1.38 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 1k57 s VAL 37 Cb -0.31 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1k57 s VAL 37 CO 0.78 0.46 0.42 0.20 0.00 0.00 0.00 175.10 176.96 1k57 s ASN 38 N -0.58 6.16 0.07 3.32 0.02 -1.26 -4.76 114.94 117.91 1k57 s ASN 38 Ca 0.32 -0.97 -0.12 0.00 -1.02 0.00 0.00 52.86 51.08 1k57 s ASN 38 Cb -0.20 -2.20 0.04 0.00 0.02 0.00 0.00 41.25 38.91 1k57 s ASN 38 CO 0.20 -0.61 0.55 0.61 0.02 0.00 0.00 177.10 177.87 1k57 n GLY 39 N 5.16 0.82 3.11 0.66 0.00 -1.26 -0.82 105.19 112.86 1k57 n GLY 39 Ca -0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1k57 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s VAL 40 N -2.26 0.06 -0.06 1.61 0.11 0.89 -4.85 120.40 115.90 1k57 s VAL 40 Ca 0.12 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.74 1k57 s VAL 40 Cb -0.01 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1k57 s VAL 40 CO 0.02 -0.27 -0.21 0.12 -3.33 0.00 0.00 175.10 171.43 1k57 s PHE 41 N -0.98 2.12 -0.13 1.54 5.99 -1.26 -1.66 117.98 123.60 1k57 s PHE 41 Ca -0.11 -0.69 0.02 0.00 0.00 0.00 0.00 56.93 56.16 1k57 s PHE 41 Cb -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 43.02 41.55 1k57 s PHE 41 CO 0.02 -0.24 -0.21 0.08 -0.00 0.00 0.00 175.22 174.87 1k57 s VAL 42 N 0.07 2.25 -0.07 3.12 1.01 0.22 -3.03 120.40 123.97 1k57 s VAL 42 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1k57 s VAL 42 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1k57 s VAL 42 CO 0.04 0.55 -0.11 -0.22 0.00 0.00 0.00 175.10 175.35 1k57 s LEU 43 N 0.59 1.59 -0.08 3.92 2.96 0.26 -1.34 118.68 126.58 1k57 s LEU 43 Ca -0.12 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1k57 s LEU 43 Cb -0.16 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1k57 s LEU 43 CO 0.03 0.02 -0.16 0.00 -1.32 0.00 0.00 176.35 174.92 1k57 s LYS 45 N 0.60 4.01 0.00 0.00 2.20 -1.07 -0.64 119.74 124.83 1k57 s LYS 45 Ca -0.15 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1k57 s LYS 45 Cb -0.16 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1k57 s LYS 45 CO 0.05 -0.08 0.00 0.43 -0.36 0.00 0.00 175.35 175.39 1k57 n SER 46 N 4.74 0.00 -3.63 1.43 7.64 0.61 -4.69 113.62 119.73 1k57 n SER 46 Ca -0.14 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.66 1k57 n SER 46 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1k57 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k57 s SER 47 N 0.00 -0.14 0.00 6.43 1.04 -1.26 -4.91 113.70 114.85 1k57 s SER 47 Ca 0.00 -0.80 0.13 0.00 0.48 0.00 0.00 55.95 55.76 1k57 s SER 47 Cb 0.00 0.74 0.80 0.00 0.10 0.00 0.00 66.02 67.66 1k57 s SER 47 CO 0.00 -1.41 1.39 -1.54 0.98 0.00 0.00 173.24 172.66 1k57 n SER 48 N -0.71 0.00 -0.44 7.02 3.41 -1.26 -3.10 113.62 118.53 1k57 n SER 48 Ca -0.05 -1.25 0.06 0.00 -0.26 0.00 0.00 58.87 57.37 1k57 n SER 48 Cb 0.60 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.76 1k57 n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k57 n LYS 49 N -0.75 1.56 -3.29 4.33 5.02 -1.26 -4.56 118.16 119.20 1k57 n LYS 49 Ca 0.10 -0.86 -0.22 0.00 -2.02 0.00 0.00 58.31 55.31 1k57 n LYS 49 Cb 0.05 -1.25 -0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1k57 n LYS 49 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1k57 s SER 50 N -1.19 1.10 0.10 4.39 0.01 -1.18 -4.83 113.70 112.10 1k57 s SER 50 Ca 0.22 -2.48 0.08 0.00 1.31 0.00 0.00 55.95 55.08 1k57 s SER 50 Cb 0.11 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1k57 s SER 50 CO 0.16 -0.18 -0.20 0.00 0.41 0.00 0.00 173.24 173.42 1k57 s ALA 52 N -1.21 0.81 0.16 0.00 0.00 -0.12 -1.31 121.76 120.10 1k57 s ALA 52 Ca 0.06 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1k57 s ALA 52 Cb -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1k57 s ALA 52 CO 0.04 0.09 0.40 -0.08 0.00 0.00 0.00 175.76 176.20 1k57 s THR 53 N -1.09 0.06 -0.38 0.00 -1.32 -0.74 -0.58 115.64 111.59 1k57 s THR 53 Ca -0.04 -0.91 0.23 0.00 -1.21 0.00 0.00 61.69 59.76 1k57 s THR 53 Cb -0.09 -1.50 0.10 0.00 -1.51 0.00 0.00 72.50 69.50 1k57 s THR 53 CO 0.01 -0.27 1.26 -0.55 -2.21 0.00 0.00 174.62 172.86 1k57 h ASN 54 N 2.39 0.00 -1.96 8.08 -1.07 -1.73 0.52 115.58 121.81 1k57 h ASN 54 Ca -0.31 -0.04 -0.28 0.00 0.07 0.00 0.00 56.30 55.74 1k57 h ASN 54 Cb 1.25 0.00 -0.31 0.00 -2.07 0.00 0.00 38.32 37.18 1k57 h ASN 54 CO 0.45 0.02 -0.60 -0.62 0.07 0.00 0.00 177.43 176.74 1k57 s ASP 55 N -5.33 1.14 0.17 6.14 3.68 -1.26 -4.70 116.67 116.51 1k57 s ASP 55 Ca 0.03 -0.68 -0.14 0.00 2.13 0.00 0.00 52.55 53.89 1k57 s ASP 55 Cb 0.09 0.74 0.06 0.00 -1.45 0.00 0.00 42.92 42.37 1k57 s ASP 55 CO 0.74 -0.37 1.81 -0.07 0.13 0.00 0.00 175.17 177.41 1k57 h LEU 56 N 8.13 0.65 0.14 -1.34 3.38 -1.95 -0.62 115.31 123.69 1k57 h LEU 56 Ca -0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1k57 h LEU 56 Cb 1.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1k57 h LEU 56 CO 0.30 0.51 -0.25 0.00 0.09 0.00 0.00 178.44 179.09 1k57 h ALA 57 N 1.16 -0.84 -0.49 1.53 0.00 -2.01 -3.08 119.26 115.52 1k57 h ALA 57 Ca 0.19 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1k57 h ALA 57 Cb -0.02 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1k57 h ALA 57 CO -0.04 -0.89 0.34 -0.09 0.00 0.00 0.00 179.25 178.57 1k57 h ARG 58 N -0.42 0.20 -0.44 0.00 2.43 -1.80 -2.77 114.38 111.59 1k57 h ARG 58 Ca -0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1k57 h ARG 58 Cb 0.39 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1k57 h ARG 58 CO -0.09 0.13 0.29 0.00 -1.51 0.00 0.00 179.97 178.79 1k57 h ALA 59 N 1.75 1.97 -0.09 2.80 0.00 -1.04 -1.39 119.26 123.26 1k57 h ALA 59 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1k57 h ALA 59 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1k57 h ALA 59 CO -0.04 -0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.59 1k57 n SER 60 N -4.47 3.04 -4.77 0.00 7.64 -1.04 -1.88 113.62 112.13 1k57 n SER 60 Ca 0.06 -1.97 -0.38 0.00 1.01 0.00 0.00 58.87 57.58 1k57 n SER 60 Cb 0.26 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1k57 n SER 60 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k57 s LYS 61 N -1.86 4.26 -0.19 1.43 2.20 -0.53 -4.75 119.74 120.30 1k57 s LYS 61 Ca 0.29 1.68 -0.07 0.00 -0.36 0.00 0.00 55.97 57.51 1k57 s LYS 61 Cb 0.20 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 1k57 s LYS 61 CO 0.30 -0.09 0.06 -1.21 -0.36 0.00 0.00 175.35 174.04 1k57 s GLU 62 N -2.15 3.90 0.25 4.03 2.02 -1.26 -3.98 118.70 121.51 1k57 s GLU 62 Ca 0.54 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 55.22 1k57 s GLU 62 Cb -0.27 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1k57 s GLU 62 CO 0.34 0.18 -0.08 0.71 0.02 0.00 0.00 175.26 176.43 1k57 s TYR 63 N 0.63 1.80 0.22 1.61 1.51 0.40 -4.68 117.35 118.84 1k57 s TYR 63 Ca 0.03 -0.69 -0.32 0.00 -1.01 0.00 0.00 57.07 55.08 1k57 s TYR 63 Cb -0.13 -0.97 -0.13 0.00 -0.11 0.00 0.00 41.96 40.62 1k57 s TYR 63 CO 0.02 0.25 1.56 1.28 -1.11 0.00 0.00 175.55 177.55 1k57 n LEU 64 N -0.49 3.53 0.19 -1.29 4.77 -1.26 -0.55 117.00 121.90 1k57 n LEU 64 Ca -0.06 1.11 0.13 0.00 -0.03 0.00 0.00 56.01 57.16 1k57 n LEU 64 Cb 0.62 -1.49 0.36 0.00 -2.33 0.00 0.00 43.42 40.59 1k57 n LEU 64 CO 0.38 -0.16 0.87 1.55 -1.33 0.00 0.00 177.39 178.69 1k57 h PRO 65 N 5.41 0.00 0.00 3.23 0.13 -1.77 -3.46 132.00 135.54 1k57 h PRO 65 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k57 h PRO 65 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1k57 h PRO 65 CO 0.85 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.62 1k57 n ALA 66 N -1.98 0.00 0.27 -0.56 0.00 -0.81 -1.61 120.51 115.82 1k57 n ALA 66 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1k57 n ALA 66 Cb 0.43 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.04 1k57 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k57 n SER 67 N 1.59 0.00 0.30 0.00 7.64 -1.26 -1.52 113.62 120.36 1k57 n SER 67 Ca 0.00 0.44 0.19 0.00 1.01 0.00 0.00 58.87 60.51 1k57 n SER 67 Cb 0.00 -0.46 0.86 0.00 -1.01 0.00 0.00 64.21 63.60 1k57 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k57 h THR 68 N 0.00 0.07 0.00 0.44 1.35 -1.34 -3.40 112.91 110.02 1k57 h THR 68 Ca 0.00 -0.37 -0.30 0.00 -0.55 0.00 0.00 66.41 65.19 1k57 h THR 68 Cb 0.12 1.34 0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1k57 h THR 68 CO 0.00 0.02 1.87 0.33 -0.25 0.00 0.00 175.52 177.49 1k57 n PHE 69 N -3.14 0.81 0.00 4.73 7.35 -0.58 -4.45 117.46 122.17 1k57 n PHE 69 Ca -0.01 -1.27 0.00 0.00 -0.76 0.00 0.00 57.45 55.41 1k57 n PHE 69 Cb 0.23 -1.20 0.00 0.00 0.35 0.00 0.00 39.48 38.86 1k57 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1k57 n ILE 71 N 5.00 0.00 -0.04 -2.13 5.41 -1.26 -1.54 119.36 124.79 1k57 n ILE 71 Ca 0.29 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 64.03 1k57 n ILE 71 Cb 0.15 0.00 0.26 0.00 -0.71 0.00 0.00 39.64 39.33 1k57 n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k57 h PRO 72 N 0.00 0.62 -0.81 0.38 0.13 -1.98 -2.24 132.00 128.11 1k57 h PRO 72 Ca 0.00 -0.13 0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1k57 h PRO 72 Cb 0.00 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 30.99 1k57 h PRO 72 CO 0.00 0.62 0.52 -0.97 -0.23 0.00 0.00 178.00 177.95 1k57 h ASN 73 N 0.60 0.88 -0.48 1.44 -0.00 -1.64 0.12 115.58 116.50 1k57 h ASN 73 Ca 0.13 -0.01 -0.09 0.00 -0.00 0.00 0.00 56.30 56.33 1k57 h ASN 73 Cb 0.33 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 1k57 h ASN 73 CO 0.01 0.62 -0.05 0.00 -0.00 0.00 0.00 177.43 178.01 1k57 h ALA 74 N 1.32 0.66 -0.45 1.57 0.00 -1.71 0.08 119.26 120.72 1k57 h ALA 74 Ca 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1k57 h ALA 74 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1k57 h ALA 74 CO -0.09 0.50 0.18 0.82 0.00 0.00 0.00 179.25 180.65 1k57 h ILE 75 N 0.74 1.21 -0.70 0.00 2.04 -0.80 -1.72 117.51 118.27 1k57 h ILE 75 Ca 0.13 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1k57 h ILE 75 Cb 0.58 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1k57 h ILE 75 CO 0.03 0.24 0.22 0.40 0.00 0.00 0.00 178.15 179.04 1k57 h ILE 76 N 0.59 1.25 -0.56 -0.67 2.04 -0.58 -0.80 117.51 118.78 1k57 h ILE 76 Ca 0.15 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.21 1k57 h ILE 76 Cb 0.20 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1k57 h ILE 76 CO -0.01 0.34 0.24 1.23 0.00 0.00 0.00 178.15 179.95 1k57 h GLY 77 N 1.09 0.78 1.05 5.37 0.00 -0.69 -0.03 103.07 110.64 1k57 h GLY 77 Ca 0.23 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1k57 h GLY 77 CO -0.01 0.04 -0.35 1.41 0.00 0.00 0.00 176.54 177.63 1k57 h LEU 78 N 0.45 0.87 -1.07 3.11 3.38 -0.97 0.09 115.31 121.16 1k57 h LEU 78 Ca 0.27 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1k57 h LEU 78 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1k57 h LEU 78 CO -0.24 1.17 0.06 -0.33 0.09 0.00 0.00 178.44 179.19 1k57 h GLU 79 N 0.59 0.72 -0.00 1.13 4.39 -0.60 -2.60 114.58 118.21 1k57 h GLU 79 Ca 0.05 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1k57 h GLU 79 Cb 0.93 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1k57 h GLU 79 CO 0.09 0.69 -0.23 0.25 -1.16 0.00 0.00 179.01 178.65 1k57 n THR 80 N -4.26 0.00 -0.87 1.13 -2.24 -0.08 -4.92 114.28 103.04 1k57 n THR 80 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1k57 n THR 80 Cb 0.25 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1k57 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k57 n GLY 81 N 1.48 0.83 0.32 3.38 0.00 -0.98 -4.90 105.19 105.33 1k57 n GLY 81 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1k57 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k57 h VAL 82 N 0.00 1.24 -3.57 1.61 2.07 -1.50 -3.37 116.25 112.73 1k57 h VAL 82 Ca 0.00 -0.79 -0.62 0.00 0.82 0.00 0.00 66.70 66.11 1k57 h VAL 82 Cb 0.00 0.46 -0.14 0.00 -1.52 0.00 0.00 31.29 30.09 1k57 h VAL 82 CO 0.00 0.31 -0.50 -0.63 0.02 0.00 0.00 177.57 176.77 1k57 s ILE 83 N -5.41 5.36 -0.00 4.57 1.01 -0.10 -4.99 121.20 121.64 1k57 s ILE 83 Ca -0.11 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 1k57 s ILE 83 Cb 0.16 -3.50 -0.19 0.00 0.01 0.00 0.00 42.46 38.93 1k57 s ILE 83 CO 0.82 0.35 1.33 0.50 0.00 0.00 0.00 174.94 177.94 1k57 h LYS 84 N 7.48 0.03 0.00 2.79 3.64 -1.87 -3.39 116.57 125.25 1k57 h LYS 84 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1k57 h LYS 84 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1k57 h LYS 84 CO 0.66 0.45 0.00 0.27 -2.27 0.00 0.00 179.45 178.56 1k57 n ASN 85 N -4.86 0.00 0.28 4.20 0.23 -1.26 -5.00 115.26 108.85 1k57 n ASN 85 Ca -0.08 -0.98 0.16 0.00 -0.53 0.00 0.00 54.58 53.15 1k57 n ASN 85 Cb 0.23 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 38.75 1k57 n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k57 h GLU 86 N 0.00 0.00 -0.52 -3.83 4.11 -1.99 -2.83 114.58 109.52 1k57 h GLU 86 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1k57 h GLU 86 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k57 h GLU 86 CO 0.00 0.06 0.00 0.72 0.07 0.00 0.00 179.01 179.86 1k57 n HIS 87 N -3.35 0.68 -1.78 2.06 8.25 -1.26 -4.58 115.22 115.25 1k57 n HIS 87 Ca -0.01 -0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1k57 n HIS 87 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1k57 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k57 s GLN 88 N -1.32 4.14 -0.18 -0.41 0.74 -1.07 -4.96 119.66 116.61 1k57 s GLN 88 Ca 0.42 2.55 -0.07 0.00 0.05 0.00 0.00 55.36 58.31 1k57 s GLN 88 Cb 0.23 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 1k57 s GLN 88 CO 0.31 -0.70 0.07 0.08 -0.55 0.00 0.00 175.29 174.51 1k57 s VAL 89 N 0.89 4.86 -0.44 1.34 1.01 -1.26 -3.68 120.40 123.12 1k57 s VAL 89 Ca 0.71 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1k57 s VAL 89 Cb -0.48 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1k57 s VAL 89 CO 0.35 0.48 0.42 -0.36 0.00 0.00 0.00 175.10 175.99 1k57 s PHE 90 N 0.22 3.19 0.17 5.22 0.40 0.11 -4.96 117.98 122.34 1k57 s PHE 90 Ca 0.05 -0.61 -0.27 0.00 -0.60 0.00 0.00 56.93 55.50 1k57 s PHE 90 Cb -0.12 -2.98 -0.08 0.00 0.51 0.00 0.00 43.02 40.35 1k57 s PHE 90 CO 0.00 -0.75 0.83 0.15 0.70 0.00 0.00 175.22 176.15 1k57 s LYS 91 N 1.94 4.64 -0.09 0.44 1.02 -1.26 -1.52 119.74 124.91 1k57 s LYS 91 Ca 0.08 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 57.04 1k57 s LYS 91 Cb -0.20 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1k57 s LYS 91 CO 0.10 0.51 0.95 -0.46 -0.92 0.00 0.00 175.35 175.53 1k57 s TRP 92 N -0.98 3.53 -2.00 3.18 -0.00 -1.26 -4.92 118.94 116.49 1k57 s TRP 92 Ca 0.38 1.54 0.26 0.00 -0.00 0.00 0.00 56.10 58.28 1k57 s TRP 92 Cb -0.24 -3.12 1.55 0.00 -0.00 0.00 0.00 33.47 31.66 1k57 s TRP 92 CO 0.28 -0.16 1.99 -0.40 -0.00 0.00 0.00 176.95 178.65 1k57 n ASP 93 N 4.73 0.00 0.00 5.86 5.68 -1.26 -4.90 116.55 126.66 1k57 n ASP 93 Ca 0.07 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 1k57 n ASP 93 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1k57 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k57 n GLY 94 N 0.88 0.94 3.90 6.12 0.00 -1.26 -5.04 105.19 110.74 1k57 n GLY 94 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1k57 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s LYS 95 N -0.31 3.54 0.31 1.61 -0.14 -1.26 -5.03 119.74 118.47 1k57 s LYS 95 Ca 0.00 -0.23 -0.29 0.00 -1.36 0.00 0.00 55.97 54.09 1k57 s LYS 95 Cb 0.00 -2.97 -0.12 0.00 -1.68 0.00 0.00 37.83 33.06 1k57 s LYS 95 CO 0.00 0.56 1.36 -2.30 -0.76 0.00 0.00 175.35 174.21 1k57 n PRO 96 N 0.37 2.19 -4.52 -1.68 -0.02 -1.26 -5.01 135.00 125.07 1k57 n PRO 96 Ca -0.05 0.77 -0.25 0.00 -2.02 0.00 0.00 63.50 61.95 1k57 n PRO 96 Cb 0.52 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1k57 n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k57 s ARG 97 N -1.41 1.77 0.43 -0.52 0.52 -1.26 -5.04 118.95 113.43 1k57 s ARG 97 Ca 0.59 -1.89 0.13 0.00 -0.52 0.00 0.00 55.73 54.04 1k57 s ARG 97 Cb -0.58 -1.68 0.94 0.00 0.52 0.00 0.00 34.95 34.15 1k57 s ARG 97 CO 0.58 0.18 1.96 0.00 0.02 0.00 0.00 175.30 178.04 1k57 h ALA 98 N 2.10 1.64 -4.25 2.13 0.00 -1.98 -3.41 119.26 115.47 1k57 h ALA 98 Ca -0.41 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 53.70 1k57 h ALA 98 Cb 1.25 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.70 1k57 h ALA 98 CO 0.68 0.27 -0.86 -1.64 0.00 0.00 0.00 179.25 177.71 1k57 s MET 99 N -4.62 1.82 0.45 0.00 -1.94 -1.26 -5.02 119.30 108.74 1k57 s MET 99 Ca -0.04 -0.73 0.11 0.00 -1.71 0.00 0.00 55.69 53.31 1k57 s MET 99 Cb 0.16 -1.68 1.00 0.00 2.01 0.00 0.00 34.83 36.31 1k57 s MET 99 CO 0.71 0.39 2.07 -0.22 -0.01 0.00 0.00 175.02 177.96 1k57 h LYS 100 N 5.83 0.31 0.00 2.03 1.63 -1.99 -1.02 116.57 123.36 1k57 h LYS 100 Ca -0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1k57 h LYS 100 Cb 1.15 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1k57 h LYS 100 CO 0.48 0.23 0.00 1.96 -3.45 0.00 0.00 179.45 178.67 1k57 h GLN 101 N 0.31 0.00 -0.00 1.90 4.20 -1.96 -1.23 115.11 118.33 1k57 h GLN 101 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1k57 h GLN 101 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1k57 h GLN 101 CO -0.01 0.00 -0.51 0.91 -0.67 0.00 0.00 178.83 178.54 1k57 n TRP 102 N -2.77 0.00 -1.98 2.96 8.01 -0.39 -4.68 117.44 118.60 1k57 n TRP 102 Ca -0.01 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.77 1k57 n TRP 102 Cb 0.17 -0.21 -0.00 0.00 -2.01 0.00 0.00 31.31 29.26 1k57 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k57 n GLU 103 N -1.39 3.35 -3.60 -0.99 1.02 -0.47 -4.81 120.64 113.75 1k57 n GLU 103 Ca 0.06 -3.02 -0.04 0.00 -0.02 0.00 0.00 57.16 54.14 1k57 n GLU 103 Cb 0.34 -3.06 -0.02 0.00 -0.02 0.00 0.00 31.44 28.68 1k57 n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k57 s ARG 104 N 1.64 0.56 0.40 3.49 1.70 -1.26 -5.07 118.95 120.41 1k57 s ARG 104 Ca 0.46 -0.25 -0.26 0.00 -0.47 0.00 0.00 55.73 55.20 1k57 s ARG 104 Cb 0.13 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 1k57 s ARG 104 CO -0.05 -0.25 1.26 -0.51 -1.08 0.00 0.00 175.30 174.67 1k57 s ASP 105 N -2.55 6.40 0.03 -2.89 -0.00 -1.26 -4.26 116.67 112.15 1k57 s ASP 105 Ca 0.10 2.56 0.02 0.00 -0.00 0.00 0.00 52.55 55.23 1k57 s ASP 105 Cb 0.00 -2.63 -0.02 0.00 -0.00 0.00 0.00 42.92 40.27 1k57 s ASP 105 CO -0.04 -0.78 -0.07 -0.76 -0.00 0.00 0.00 175.17 173.52 1k57 s LEU 106 N -2.41 2.22 0.86 1.23 1.43 -0.58 -4.96 118.68 116.47 1k57 s LEU 106 Ca 0.56 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1k57 s LEU 106 Cb -0.36 -0.13 0.16 0.00 0.03 0.00 0.00 46.19 45.89 1k57 s LEU 106 CO 0.46 -0.18 1.19 0.42 0.23 0.00 0.00 176.35 178.47 1k57 s THR 107 N -1.21 2.06 0.16 5.49 -4.23 -1.26 0.10 115.64 116.75 1k57 s THR 107 Ca -0.09 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 1k57 s THR 107 Cb -0.09 -2.86 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1k57 s THR 107 CO 0.00 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.04 1k57 h LEU 108 N -1.20 0.78 -0.44 4.79 5.85 -1.81 -0.39 115.31 122.91 1k57 h LEU 108 Ca -0.42 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 1k57 h LEU 108 Cb 1.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1k57 h LEU 108 CO 0.42 0.76 0.15 -0.09 -0.34 0.00 0.00 178.44 179.34 1k57 h ARG 109 N 0.77 0.66 -0.33 1.25 2.43 -1.88 -1.58 114.38 115.70 1k57 h ARG 109 Ca 0.18 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1k57 h ARG 109 Cb 0.23 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1k57 h ARG 109 CO -0.01 0.63 0.10 0.78 -1.51 0.00 0.00 179.97 179.96 1k57 h GLY 110 N 0.56 0.40 1.01 2.80 0.00 -1.86 0.19 103.07 106.17 1k57 h GLY 110 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1k57 h GLY 110 CO -0.01 0.02 0.47 0.00 0.00 0.00 0.00 176.54 177.02 1k57 h ALA 111 N 1.22 0.95 -0.23 3.60 0.00 -0.83 0.30 119.26 124.26 1k57 h ALA 111 Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1k57 h ALA 111 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1k57 h ALA 111 CO -0.16 0.39 -0.09 0.82 0.00 0.00 0.00 179.25 180.21 1k57 h ILE 112 N 1.01 1.29 -0.07 0.00 2.04 -1.09 -0.67 117.51 120.02 1k57 h ILE 112 Ca 0.27 -1.12 -0.15 0.00 1.00 0.00 0.00 64.86 64.85 1k57 h ILE 112 Cb -0.07 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1k57 h ILE 112 CO -0.05 0.35 -0.62 1.56 0.00 0.00 0.00 178.15 179.39 1k57 h GLN 113 N 0.19 0.27 -0.25 2.37 1.08 -0.38 -1.02 115.11 117.37 1k57 h GLN 113 Ca 0.06 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1k57 h GLN 113 Cb 0.57 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1k57 h GLN 113 CO 0.03 0.80 0.00 1.33 -0.95 0.00 0.00 178.83 180.04 1k57 n VAL 114 N -3.87 0.32 -3.72 -0.54 0.24 1.00 -4.97 118.33 106.78 1k57 n VAL 114 Ca -0.03 -0.49 -0.26 0.00 -2.04 0.00 0.00 64.34 61.53 1k57 n VAL 114 Cb 0.63 0.57 0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1k57 n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1k57 n SER 115 N 0.73 -3.07 -4.57 -1.34 2.88 -0.39 -4.85 113.62 103.01 1k57 n SER 115 Ca 0.17 -0.94 -0.35 0.00 -1.33 0.00 0.00 58.87 56.42 1k57 n SER 115 Cb 0.42 -3.60 -0.03 0.00 -0.75 0.00 0.00 64.21 60.25 1k57 n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k57 s ALA 116 N -3.64 2.43 0.22 -1.46 0.00 -0.34 -4.89 121.76 114.09 1k57 s ALA 116 Ca 0.23 -2.31 -0.13 0.00 0.00 0.00 0.00 51.96 49.75 1k57 s ALA 116 Cb -0.08 -4.62 0.26 0.00 0.00 0.00 0.00 23.12 18.68 1k57 s ALA 116 CO 0.85 -4.24 1.61 0.28 0.00 0.00 0.00 175.76 174.26 1k57 h VAL 117 N 6.29 0.29 -0.89 0.00 2.07 -1.88 -2.08 116.25 120.04 1k57 h VAL 117 Ca 0.27 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.90 1k57 h VAL 117 Cb 0.94 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1k57 h VAL 117 CO 1.34 0.00 0.58 1.55 0.02 0.00 0.00 177.57 181.05 1k57 h PRO 118 N -0.02 0.81 -0.37 1.57 0.13 -1.99 -0.74 132.00 131.38 1k57 h PRO 118 Ca 0.32 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.42 1k57 h PRO 118 Cb 0.51 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 1k57 h PRO 118 CO -0.71 0.53 0.21 0.28 -0.23 0.00 0.00 178.00 178.09 1k57 h VAL 119 N 0.83 1.03 0.00 1.56 2.07 -1.80 -2.44 116.25 117.51 1k57 h VAL 119 Ca 0.43 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.70 1k57 h VAL 119 Cb 0.50 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1k57 h VAL 119 CO -0.19 0.08 -0.45 -0.26 0.02 0.00 0.00 177.57 176.77 1k57 h PHE 120 N 0.44 0.00 -0.57 1.57 -1.00 -1.33 -2.01 116.94 114.03 1k57 h PHE 120 Ca 0.15 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 1k57 h PHE 120 Cb 0.01 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 1k57 h PHE 120 CO -0.08 0.45 0.24 1.96 -1.61 0.00 0.00 178.31 179.27 1k57 h GLN 121 N 0.00 0.84 -0.70 1.51 4.20 -1.03 -1.89 115.11 118.04 1k57 h GLN 121 Ca -0.00 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1k57 h GLN 121 Cb 1.04 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 1k57 h GLN 121 CO 0.06 0.71 0.19 0.37 -0.67 0.00 0.00 178.83 179.49 1k57 h GLN 122 N 0.77 1.10 -0.35 1.46 5.75 -1.23 -1.97 115.11 120.65 1k57 h GLN 122 Ca 0.19 -0.26 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1k57 h GLN 122 Cb 0.17 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1k57 h GLN 122 CO -0.02 0.97 0.09 0.82 -2.65 0.00 0.00 178.83 178.03 1k57 h ILE 123 N 1.04 0.85 -0.38 2.39 2.04 -1.22 -1.92 117.51 120.31 1k57 h ILE 123 Ca 0.22 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1k57 h ILE 123 Cb 0.35 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1k57 h ILE 123 CO -0.00 0.04 0.11 0.00 0.00 0.00 0.00 178.15 178.30 1k57 h ALA 124 N 1.25 0.44 -0.70 1.87 0.00 -1.08 0.26 119.26 121.30 1k57 h ALA 124 Ca 0.16 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1k57 h ALA 124 Cb 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1k57 h ALA 124 CO -0.20 -0.28 0.44 0.00 0.00 0.00 0.00 179.25 179.20 1k57 h ARG 125 N 0.26 0.83 -0.20 0.00 3.08 -1.12 0.15 114.38 117.38 1k57 h ARG 125 Ca 0.18 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 1k57 h ARG 125 Cb 0.18 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1k57 h ARG 125 CO -0.20 0.55 -0.55 0.93 -1.07 0.00 0.00 179.97 179.63 1k57 h GLU 126 N 0.85 0.61 -0.05 0.04 5.08 -0.84 -3.03 114.58 117.24 1k57 h GLU 126 Ca 0.29 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1k57 h GLU 126 Cb 0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1k57 h GLU 126 CO -0.11 0.99 0.01 0.28 -1.00 0.00 0.00 179.01 179.18 1k57 h VAL 127 N 0.47 0.98 -0.08 3.13 2.07 -0.56 -3.50 116.25 118.77 1k57 h VAL 127 Ca 0.01 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1k57 h VAL 127 Cb 1.10 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1k57 h VAL 127 CO 0.11 0.01 -0.03 0.61 0.02 0.00 0.00 177.57 178.28 1k57 n GLY 128 N -1.11 -2.68 0.33 2.17 0.00 0.49 -4.34 105.19 100.05 1k57 n GLY 128 Ca -0.06 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.59 1k57 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k57 h GLU 129 N -0.02 0.87 -0.22 1.61 4.81 -1.89 -1.45 114.58 118.28 1k57 h GLU 129 Ca -0.00 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1k57 h GLU 129 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1k57 h GLU 129 CO 0.00 0.57 -0.09 0.28 -0.73 0.00 0.00 179.01 179.05 1k57 h VAL 130 N 0.89 1.30 -0.49 0.32 2.07 -2.00 -1.27 116.25 117.07 1k57 h VAL 130 Ca 0.42 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 1k57 h VAL 130 Cb 0.35 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1k57 h VAL 130 CO -0.23 0.34 -0.14 0.03 0.02 0.00 0.00 177.57 177.59 1k57 h ARG 131 N 0.16 0.93 0.03 1.57 3.08 -1.73 -2.66 114.38 115.75 1k57 h ARG 131 Ca 0.05 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1k57 h ARG 131 Cb 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1k57 h ARG 131 CO 0.03 1.00 -0.01 1.98 -1.07 0.00 0.00 179.97 181.90 1k57 h MET 132 N 0.83 -0.03 -0.84 0.04 4.05 -1.04 -1.78 114.93 116.14 1k57 h MET 132 Ca 0.13 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.67 1k57 h MET 132 Cb 0.68 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.40 1k57 h MET 132 CO 0.05 0.05 0.47 0.37 0.23 0.00 0.00 176.91 178.08 1k57 h GLN 133 N -0.11 0.71 -0.33 0.39 5.75 -1.20 -0.29 115.11 120.02 1k57 h GLN 133 Ca -0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1k57 h GLN 133 Cb 0.10 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1k57 h GLN 133 CO 0.01 0.47 0.14 -0.22 -2.65 0.00 0.00 178.83 176.58 1k57 h LYS 134 N 0.73 0.49 -0.21 1.69 3.64 -1.12 -1.51 116.57 120.28 1k57 h LYS 134 Ca 0.43 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.56 1k57 h LYS 134 Cb 0.50 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1k57 h LYS 134 CO -0.30 0.48 -0.56 1.88 -2.27 0.00 0.00 179.45 178.68 1k57 h TYR 135 N 0.39 0.82 -0.08 1.91 -1.99 -0.83 -1.28 116.97 115.91 1k57 h TYR 135 Ca 0.11 -0.29 -0.10 0.00 2.00 0.00 0.00 58.73 60.45 1k57 h TYR 135 Cb 0.16 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1k57 h TYR 135 CO -0.01 1.06 -0.40 -0.07 -0.00 0.00 0.00 178.16 178.74 1k57 h LEU 136 N 0.49 0.17 -0.05 3.88 3.38 -0.91 0.11 115.31 122.39 1k57 h LEU 136 Ca 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1k57 h LEU 136 Cb 1.13 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1k57 h LEU 136 CO 0.11 0.56 0.01 0.50 0.09 0.00 0.00 178.44 179.71 1k57 h LYS 137 N 0.14 0.08 -0.84 1.13 3.64 -1.15 -1.24 116.57 118.34 1k57 h LYS 137 Ca 0.01 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1k57 h LYS 137 Cb 0.77 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1k57 h LYS 137 CO 0.06 0.30 0.55 0.87 -2.27 0.00 0.00 179.45 178.96 1k57 h LYS 138 N -0.14 1.05 0.00 1.90 1.57 -0.62 -1.95 116.57 118.39 1k57 h LYS 138 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1k57 h LYS 138 Cb 0.25 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1k57 h LYS 138 CO 0.00 0.70 0.00 1.19 -0.57 0.00 0.00 179.45 180.77 1k57 n PHE 139 N -4.43 0.00 -3.75 -1.35 0.99 0.34 -4.80 117.46 104.46 1k57 n PHE 139 Ca 0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.29 1k57 n PHE 139 Cb 0.07 -0.25 0.02 0.00 -1.00 0.00 0.00 39.48 38.32 1k57 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k57 n SER 140 N -1.25 -2.83 -4.39 4.37 7.64 -0.57 -4.88 113.62 111.71 1k57 n SER 140 Ca 0.15 -0.96 -0.45 0.00 1.01 0.00 0.00 58.87 58.63 1k57 n SER 140 Cb 0.22 -3.51 -0.03 0.00 -1.01 0.00 0.00 64.21 59.87 1k57 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k57 s TYR 141 N -3.66 3.16 0.00 1.43 5.04 -0.60 -4.97 117.35 117.75 1k57 s TYR 141 Ca 0.22 -1.25 0.00 0.00 -2.44 0.00 0.00 57.07 53.59 1k57 s TYR 141 Cb -0.07 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.18 1k57 s TYR 141 CO 0.85 -1.31 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 1k57 n GLY 142 N 5.08 1.06 0.04 8.97 0.00 -1.26 -1.89 105.19 117.19 1k57 n GLY 142 Ca 0.04 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1k57 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k57 n ASN 143 N -0.81 0.11 -2.08 1.61 6.94 -0.44 -4.90 115.26 115.69 1k57 n ASN 143 Ca 0.00 -1.33 -0.11 0.00 -0.02 0.00 0.00 54.58 53.12 1k57 n ASN 143 Cb 0.00 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1k57 n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k57 n GLN 144 N -0.77 -1.94 -3.38 -3.83 6.02 -0.79 -4.91 117.38 107.78 1k57 n GLN 144 Ca 0.17 0.59 -0.44 0.00 -0.01 0.00 0.00 57.00 57.31 1k57 n GLN 144 Cb 0.09 -5.06 -0.08 0.00 1.02 0.00 0.00 30.24 26.21 1k57 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k57 s ASN 145 N -2.01 6.15 -0.24 1.08 3.84 -1.26 -4.94 114.94 117.56 1k57 s ASN 145 Ca 0.00 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.03 1k57 s ASN 145 Cb 0.00 -2.19 0.72 0.00 -0.55 0.00 0.00 41.25 39.23 1k57 s ASN 145 CO 0.00 -0.62 1.68 2.30 -2.79 0.00 0.00 177.10 177.66 1k57 n ILE 146 N 5.24 2.69 -1.98 -5.21 -5.35 -1.26 -2.36 119.36 111.13 1k57 n ILE 146 Ca -0.11 -1.63 -0.32 0.00 -0.27 0.00 0.00 62.75 60.41 1k57 n ILE 146 Cb 0.45 -0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.07 1k57 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k57 s SER 147 N -1.20 5.72 0.00 7.28 1.04 -1.26 -4.32 113.70 120.96 1k57 s SER 147 Ca 0.51 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1k57 s SER 147 Cb 0.40 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1k57 s SER 147 CO 0.13 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1k57 n GLY 148 N -1.09 1.23 0.00 7.32 0.00 -1.26 -2.74 105.19 108.65 1k57 n GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1k57 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k57 n GLY 149 N -0.10 2.19 0.29 -0.02 0.00 -1.26 -4.48 105.19 101.81 1k57 n GLY 149 Ca 0.00 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.68 1k57 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k57 h ILE 150 N 0.00 0.17 -0.34 -0.61 6.09 -1.95 -1.46 117.51 119.41 1k57 h ILE 150 Ca 0.00 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1k57 h ILE 150 Cb 0.00 1.30 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1k57 h ILE 150 CO 0.00 0.04 0.00 -0.90 -3.07 0.00 0.00 178.15 174.22 1k57 n ASP 151 N -3.25 3.86 0.00 2.19 5.68 -1.26 -4.54 116.55 119.24 1k57 n ASP 151 Ca -0.01 -2.70 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 1k57 n ASP 151 Cb 0.21 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1k57 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k57 n LYS 152 N -0.01 0.00 0.23 0.11 2.85 -0.63 -4.84 118.16 115.86 1k57 n LYS 152 Ca 0.20 -0.13 0.09 0.00 -1.05 0.00 0.00 58.31 57.42 1k57 n LYS 152 Cb 0.80 -0.20 0.64 0.00 -0.65 0.00 0.00 35.03 35.62 1k57 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k57 h PHE 153 N 0.00 0.01 0.00 5.58 -0.00 -1.55 -0.70 116.94 120.28 1k57 h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k57 h PHE 153 Cb 0.82 -0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.76 1k57 h PHE 153 CO 0.00 0.01 -0.56 -2.67 -0.00 0.00 0.00 178.31 175.09 1k57 n TRP 154 N -4.52 0.09 -0.09 6.09 2.14 -1.26 -2.23 117.44 117.66 1k57 n TRP 154 Ca -0.02 0.03 -0.12 0.00 2.07 0.00 0.00 57.50 59.46 1k57 n TRP 154 Cb 0.14 -0.31 -0.08 0.00 -0.81 0.00 0.00 31.31 30.24 1k57 n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k57 n LEU 155 N -1.61 2.73 0.00 5.67 4.77 -0.74 -1.93 117.00 125.89 1k57 n LEU 155 Ca 0.05 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1k57 n LEU 155 Cb 0.36 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1k57 n LEU 155 CO 0.36 0.76 0.13 -0.62 -1.33 0.00 0.00 177.39 176.69 1k57 n GLU 156 N -2.97 0.00 0.00 3.23 1.02 -0.35 -4.91 120.64 116.65 1k57 n GLU 156 Ca -0.31 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 1k57 n GLU 156 Cb 0.84 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1k57 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k57 n GLY 157 N 0.00 2.34 1.00 0.62 0.00 -0.95 -4.97 105.19 103.23 1k57 n GLY 157 Ca 0.00 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.30 1k57 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k57 n GLN 158 N 0.00 2.28 -2.41 1.61 1.13 -1.11 -4.92 117.38 113.97 1k57 n GLN 158 Ca 0.00 -2.09 -0.40 0.00 -1.94 0.00 0.00 57.00 52.57 1k57 n GLN 158 Cb 0.00 -1.45 -0.04 0.00 0.11 0.00 0.00 30.24 28.86 1k57 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k57 s LEU 159 N -1.46 4.46 -0.10 1.08 2.96 -1.00 -4.69 118.68 119.94 1k57 s LEU 159 Ca 0.33 2.32 -0.09 0.00 -0.22 0.00 0.00 54.13 56.47 1k57 s LEU 159 Cb 0.20 -3.72 0.03 0.00 0.50 0.00 0.00 46.19 43.20 1k57 s LEU 159 CO 0.28 -0.29 0.26 -0.13 -1.32 0.00 0.00 176.35 175.16 1k57 s ARG 160 N -1.67 0.30 0.00 1.98 1.81 -1.26 -4.02 118.95 116.09 1k57 s ARG 160 Ca 0.47 0.39 -0.05 0.00 -1.72 0.00 0.00 55.73 54.83 1k57 s ARG 160 Cb -0.32 0.12 -0.00 0.00 -0.45 0.00 0.00 34.95 34.29 1k57 s ARG 160 CO 0.42 -0.05 0.09 -1.50 -0.68 0.00 0.00 175.30 173.57 1k57 s ILE 161 N 0.28 0.08 0.39 1.52 2.07 0.29 -1.33 121.20 124.50 1k57 s ILE 161 Ca -0.01 -0.69 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1k57 s ILE 161 Cb -0.03 -0.36 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1k57 s ILE 161 CO -0.01 -0.38 0.59 -0.94 -1.91 0.00 0.00 174.94 172.29 1k57 s SER 162 N -1.27 6.09 0.23 4.50 1.04 -1.26 -0.45 113.70 122.58 1k57 s SER 162 Ca -0.14 0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 1k57 s SER 162 Cb -0.08 -1.77 0.23 0.00 0.10 0.00 0.00 66.02 64.50 1k57 s SER 162 CO 0.01 -0.46 1.89 0.00 0.98 0.00 0.00 173.24 175.66 1k57 h ALA 163 N 0.63 1.11 -0.28 5.32 0.00 -1.69 -1.20 119.26 123.15 1k57 h ALA 163 Ca -0.48 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1k57 h ALA 163 Cb 1.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1k57 h ALA 163 CO 0.59 0.46 -0.16 0.28 0.00 0.00 0.00 179.25 180.42 1k57 h VAL 164 N 1.13 1.24 -0.27 0.00 2.07 -1.74 -2.05 116.25 116.62 1k57 h VAL 164 Ca 0.33 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 1k57 h VAL 164 Cb -0.07 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1k57 h VAL 164 CO -0.09 0.35 -0.28 -1.13 0.02 0.00 0.00 177.57 176.44 1k57 h ASN 165 N 0.45 0.56 -0.67 0.57 -0.73 -1.69 -2.06 115.58 112.01 1k57 h ASN 165 Ca 0.08 -0.20 -0.07 0.00 1.87 0.00 0.00 56.30 57.98 1k57 h ASN 165 Cb 0.54 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 1k57 h ASN 165 CO 0.03 0.82 0.16 1.56 -0.37 0.00 0.00 177.43 179.63 1k57 h GLN 166 N 0.48 1.07 -0.83 6.67 1.08 -0.66 -1.80 115.11 121.12 1k57 h GLN 166 Ca 0.06 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 1k57 h GLN 166 Cb 0.73 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 1k57 h GLN 166 CO 0.06 0.96 0.38 0.28 -0.95 0.00 0.00 178.83 179.56 1k57 h VAL 167 N 1.00 1.26 -0.35 -0.54 2.07 -1.17 0.73 116.25 119.26 1k57 h VAL 167 Ca 0.21 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1k57 h VAL 167 Cb 0.37 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1k57 h VAL 167 CO 0.00 0.32 0.14 -0.33 0.02 0.00 0.00 177.57 177.72 1k57 h GLU 168 N 1.19 0.52 -0.29 1.57 5.08 -0.87 -2.18 114.58 119.60 1k57 h GLU 168 Ca 0.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1k57 h GLU 168 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1k57 h GLU 168 CO -0.03 0.51 0.15 0.35 -1.00 0.00 0.00 179.01 178.99 1k57 h PHE 169 N 0.41 0.40 -0.26 4.33 3.04 -1.10 -2.15 116.94 121.61 1k57 h PHE 169 Ca 0.12 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1k57 h PHE 169 Cb 0.18 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1k57 h PHE 169 CO -0.00 0.34 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.43 1k57 h LEU 170 N 0.34 0.42 -0.21 0.59 3.38 -0.80 -1.81 115.31 117.22 1k57 h LEU 170 Ca 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1k57 h LEU 170 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1k57 h LEU 170 CO -0.01 0.59 0.04 -0.08 0.09 0.00 0.00 178.44 179.06 1k57 h GLU 171 N 0.41 0.35 -0.85 1.13 4.81 -1.30 0.67 114.58 119.79 1k57 h GLU 171 Ca 0.08 -0.09 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1k57 h GLU 171 Cb 0.48 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 1k57 h GLU 171 CO 0.03 0.49 0.46 0.77 -0.73 0.00 0.00 179.01 180.02 1k57 h SER 172 N 0.15 0.59 -0.26 1.04 0.02 -0.95 0.29 113.55 114.43 1k57 h SER 172 Ca 0.06 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1k57 h SER 172 Cb 0.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1k57 h SER 172 CO 0.00 0.28 -0.00 0.25 -1.14 0.00 0.00 176.83 176.23 1k57 h LEU 173 N 0.69 0.44 -0.46 5.07 5.85 -1.03 0.39 115.31 126.28 1k57 h LEU 173 Ca 0.44 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1k57 h LEU 173 Cb 0.56 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1k57 h LEU 173 CO -0.32 0.64 -0.01 0.22 -0.34 0.00 0.00 178.44 178.63 1k57 h TYR 174 N 0.23 -0.05 0.00 1.25 3.20 0.12 -1.05 116.97 120.67 1k57 h TYR 174 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1k57 h TYR 174 Cb 0.42 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1k57 h TYR 174 CO 0.04 -0.11 0.00 1.28 -1.64 0.00 0.00 178.16 177.73 1k57 n LEU 175 N -5.23 0.00 -2.36 2.82 4.77 -0.01 -4.90 117.00 112.10 1k57 n LEU 175 Ca 0.04 0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 1k57 n LEU 175 Cb 0.24 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1k57 n LEU 175 CO 0.17 -0.01 -0.03 0.59 -1.33 0.00 0.00 177.39 176.78 1k57 n ASN 176 N -1.13 -5.17 -1.11 -1.43 3.02 -0.36 -4.92 115.26 104.15 1k57 n ASN 176 Ca 0.18 -0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.65 1k57 n ASN 176 Cb 0.16 -4.05 0.21 0.00 -0.61 0.00 0.00 39.78 35.49 1k57 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k57 n LYS 177 N -3.25 2.45 -1.77 3.52 5.02 0.12 -4.88 118.16 119.38 1k57 n LYS 177 Ca -0.11 -2.25 -0.32 0.00 -2.02 0.00 0.00 58.31 53.62 1k57 n LYS 177 Cb 0.60 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1k57 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k57 s LEU 178 N -1.44 3.30 -1.34 -0.35 1.43 -1.23 -4.91 118.68 114.14 1k57 s LEU 178 Ca 0.37 1.73 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1k57 s LEU 178 Cb 0.22 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 42.00 1k57 s LEU 178 CO 0.30 -1.36 1.88 -1.54 0.23 0.00 0.00 176.35 175.86 1k57 n SER 179 N -2.65 4.64 -3.52 2.29 3.41 -1.26 -4.77 113.62 111.76 1k57 n SER 179 Ca 0.08 -2.92 -0.11 0.00 -0.26 0.00 0.00 58.87 55.66 1k57 n SER 179 Cb 0.53 -1.68 -0.02 0.00 -0.26 0.00 0.00 64.21 62.78 1k57 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k57 s ALA 180 N 3.27 -1.42 0.67 7.33 0.00 -1.26 -5.01 121.76 125.33 1k57 s ALA 180 Ca 0.49 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 1k57 s ALA 180 Cb 0.07 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.05 1k57 s ALA 180 CO 0.01 -0.79 1.23 -1.54 0.00 0.00 0.00 175.76 174.67 1k57 s SER 181 N -2.78 4.58 0.28 0.00 1.04 -1.26 -4.88 113.70 110.67 1k57 s SER 181 Ca 0.03 2.43 -0.02 0.00 0.48 0.00 0.00 55.95 58.87 1k57 s SER 181 Cb -0.01 -2.60 0.38 0.00 0.10 0.00 0.00 66.02 63.89 1k57 s SER 181 CO -0.10 -2.01 1.85 0.50 0.98 0.00 0.00 173.24 174.46 1k57 h LYS 182 N 0.25 0.93 -0.22 4.02 3.64 -1.92 -2.10 116.57 121.15 1k57 h LYS 182 Ca -0.49 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1k57 h LYS 182 Cb 1.31 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1k57 h LYS 182 CO 0.52 0.77 -0.05 0.93 -2.27 0.00 0.00 179.45 179.35 1k57 h GLU 183 N 0.91 0.00 -0.55 1.90 5.08 -1.99 -1.25 114.58 118.68 1k57 h GLU 183 Ca 0.21 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1k57 h GLU 183 Cb 0.20 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1k57 h GLU 183 CO -0.02 0.00 0.08 -0.91 -1.00 0.00 0.00 179.01 177.16 1k57 h ASN 184 N 0.00 0.84 -0.34 1.42 2.35 -1.85 -0.64 115.58 117.36 1k57 h ASN 184 Ca 0.11 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1k57 h ASN 184 Cb 0.16 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1k57 h ASN 184 CO -0.23 0.86 -0.03 1.56 -1.65 0.00 0.00 177.43 177.95 1k57 h GLN 185 N 0.84 0.72 -0.28 0.81 4.20 -1.01 -1.96 115.11 118.43 1k57 h GLN 185 Ca 0.17 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 1k57 h GLN 185 Cb 0.39 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1k57 h GLN 185 CO 0.01 0.75 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.31 1k57 h LEU 186 N 0.67 0.92 -0.29 1.46 3.38 -0.72 -1.04 115.31 119.68 1k57 h LEU 186 Ca 0.13 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1k57 h LEU 186 Cb 0.46 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1k57 h LEU 186 CO 0.02 1.28 -0.02 0.40 0.09 0.00 0.00 178.44 180.21 1k57 h ILE 187 N 0.64 0.77 -0.39 1.22 2.04 -0.85 -1.44 117.51 119.50 1k57 h ILE 187 Ca 0.01 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1k57 h ILE 187 Cb 1.14 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1k57 h ILE 187 CO 0.12 0.01 -0.14 0.58 0.00 0.00 0.00 178.15 178.72 1k57 h VAL 188 N 0.07 1.26 -0.24 1.67 2.07 -1.26 -2.32 116.25 117.49 1k57 h VAL 188 Ca 0.14 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1k57 h VAL 188 Cb 0.19 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1k57 h VAL 188 CO -0.25 0.40 -0.04 0.11 0.02 0.00 0.00 177.57 177.81 1k57 h LYS 189 N 0.64 0.02 -0.55 1.57 1.57 -0.88 -2.23 116.57 116.72 1k57 h LYS 189 Ca 0.11 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1k57 h LYS 189 Cb 0.61 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1k57 h LYS 189 CO 0.04 0.01 0.23 1.49 -0.57 0.00 0.00 179.45 180.65 1k57 h GLU 190 N 0.02 0.79 0.00 3.15 4.81 -1.03 -1.86 114.58 120.47 1k57 h GLU 190 Ca 0.11 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k57 h GLU 190 Cb 0.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1k57 h GLU 190 CO -0.23 0.64 0.00 0.00 -0.73 0.00 0.00 179.01 178.69 1k57 h ALA 191 N 1.47 1.00 -0.02 2.92 0.00 -0.94 -2.51 119.26 121.18 1k57 h ALA 191 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1k57 h ALA 191 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1k57 h ALA 191 CO -0.02 0.00 -0.18 1.28 0.00 0.00 0.00 179.25 180.33 1k57 n LEU 192 N -2.87 2.19 -4.71 0.00 4.77 -0.70 -4.76 117.00 110.93 1k57 n LEU 192 Ca -0.01 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1k57 n LEU 192 Cb 0.14 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1k57 n LEU 192 CO 0.20 0.38 1.42 -0.69 -1.33 0.00 0.00 177.39 177.37 1k57 s VAL 193 N -2.21 2.22 0.00 4.08 1.01 -0.95 -1.20 120.40 123.36 1k57 s VAL 193 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1k57 s VAL 193 Cb 0.19 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1k57 s VAL 193 CO 0.42 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.87 1k57 n THR 194 N 4.31 0.00 -3.70 3.92 -2.24 0.16 -4.88 114.28 111.85 1k57 n THR 194 Ca 0.17 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1k57 n THR 194 Cb 0.36 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 1k57 n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k57 s GLU 195 N -0.94 0.40 -0.01 -0.78 2.12 -1.18 -4.97 118.70 113.34 1k57 s GLU 195 Ca 0.00 0.78 0.01 0.00 0.36 0.00 0.00 54.97 56.12 1k57 s GLU 195 Cb 0.00 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1k57 s GLU 195 CO 0.00 -0.15 -0.04 0.00 -0.54 0.00 0.00 175.26 174.53 1k57 s ALA 196 N 1.31 0.43 0.18 6.30 0.00 -1.26 -1.07 121.76 127.64 1k57 s ALA 196 Ca -0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 1k57 s ALA 196 Cb -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1k57 s ALA 196 CO -0.12 0.07 0.43 0.00 0.00 0.00 0.00 175.76 176.14 1k57 s ALA 197 N 0.12 -0.59 0.37 0.00 0.00 0.57 -5.00 121.76 117.23 1k57 s ALA 197 Ca -0.01 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.57 1k57 s ALA 197 Cb -0.05 0.84 0.82 0.00 0.00 0.00 0.00 23.12 24.74 1k57 s ALA 197 CO -0.00 -0.74 1.91 -1.35 0.00 0.00 0.00 175.76 175.58 1k57 h PRO 198 N 2.33 0.66 -0.23 0.00 0.11 -2.02 -2.64 132.00 130.21 1k57 h PRO 198 Ca -0.30 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 1k57 h PRO 198 Cb 1.25 -0.15 -0.20 0.00 0.11 0.00 0.00 31.00 32.01 1k57 h PRO 198 CO 0.42 0.44 -0.71 0.39 -0.21 0.00 0.00 178.00 178.32 1k57 n GLU 199 N -4.51 1.91 -3.66 1.05 1.02 -1.26 -4.99 120.64 110.19 1k57 n GLU 199 Ca 0.14 -3.36 -0.07 0.00 -0.02 0.00 0.00 57.16 53.85 1k57 n GLU 199 Cb 0.38 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 1k57 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k57 s TYR 200 N -2.90 -0.93 -0.10 -0.32 6.14 -1.00 -1.46 117.35 116.79 1k57 s TYR 200 Ca 0.40 1.78 -0.04 0.00 0.64 0.00 0.00 57.07 59.85 1k57 s TYR 200 Cb 0.38 0.48 0.05 0.00 0.42 0.00 0.00 41.96 43.29 1k57 s TYR 200 CO -0.05 -0.50 0.21 -1.17 0.64 0.00 0.00 175.55 174.68 1k57 s LEU 201 N 2.15 0.32 -0.08 6.97 2.96 -0.13 -0.32 118.68 130.55 1k57 s LEU 201 Ca -0.07 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1k57 s LEU 201 Cb -0.10 0.57 -0.02 0.00 0.50 0.00 0.00 46.19 47.15 1k57 s LEU 201 CO -0.16 -0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.84 1k57 s VAL 202 N 1.55 2.85 -0.11 1.68 1.01 -0.24 -0.43 120.40 126.71 1k57 s VAL 202 Ca -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1k57 s VAL 202 Cb -0.11 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1k57 s VAL 202 CO -0.08 0.56 -0.18 -1.00 0.00 0.00 0.00 175.10 174.40 1k57 s HIS 203 N -0.18 2.69 0.23 5.22 3.76 -0.15 -0.67 115.29 126.18 1k57 s HIS 203 Ca -0.01 -0.81 -0.21 0.00 -0.15 0.00 0.00 55.06 53.88 1k57 s HIS 203 Cb -0.13 -1.78 0.04 0.00 1.11 0.00 0.00 32.58 31.82 1k57 s HIS 203 CO 0.03 -0.29 0.65 -1.54 -0.85 0.00 0.00 174.74 172.73 1k57 s SER 204 N 0.31 -0.35 -0.18 1.40 1.04 -0.34 -1.05 113.70 114.53 1k57 s SER 204 Ca -0.14 -0.41 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 1k57 s SER 204 Cb -0.17 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1k57 s SER 204 CO 0.07 -1.18 0.44 -0.75 0.98 0.00 0.00 173.24 172.80 1k57 s LYS 205 N -3.86 0.43 0.54 4.02 2.47 -0.49 -4.81 119.74 118.03 1k57 s LYS 205 Ca 0.08 0.84 -0.03 0.00 -1.56 0.00 0.00 55.97 55.30 1k57 s LYS 205 Cb -0.04 -0.00 0.01 0.00 -1.46 0.00 0.00 37.83 36.34 1k57 s LYS 205 CO -0.00 -0.16 0.80 0.95 0.16 0.00 0.00 175.35 177.10 1k57 s THR 206 N 1.44 3.54 0.04 3.43 -4.23 -1.26 -1.39 115.64 117.21 1k57 s THR 206 Ca -0.10 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 59.94 1k57 s THR 206 Cb -0.08 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.43 1k57 s THR 206 CO -0.14 -0.31 0.39 -0.83 -0.54 0.00 0.00 174.62 173.19 1k57 s GLY 207 N -4.30 -0.24 -0.27 3.99 0.00 -0.72 -3.52 107.32 102.25 1k57 s GLY 207 Ca 0.53 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 45.44 1k57 s GLY 207 CO 0.41 0.01 0.55 -0.12 0.00 0.00 0.00 173.10 173.95 1k57 s PHE 208 N -2.42 -1.22 0.11 1.90 5.36 -1.26 0.32 117.98 120.78 1k57 s PHE 208 Ca -0.06 1.79 0.08 0.00 -0.96 0.00 0.00 56.93 57.78 1k57 s PHE 208 Cb -0.01 0.53 -0.14 0.00 -0.34 0.00 0.00 43.02 43.06 1k57 s PHE 208 CO -0.02 -0.69 1.32 0.66 -1.46 0.00 0.00 175.22 175.03 1k57 h SER 209 N 8.06 0.00 -4.11 6.13 4.64 -1.52 -3.43 113.55 123.32 1k57 h SER 209 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1k57 h SER 209 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1k57 h SER 209 CO 0.17 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.67 1k57 n GLY 210 N 1.24 0.95 0.49 -0.77 0.00 -1.26 -4.91 105.19 100.93 1k57 n GLY 210 Ca 0.00 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.17 1k57 n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k57 n VAL 211 N 4.01 0.00 -2.18 1.61 0.24 -1.26 -3.51 118.33 117.25 1k57 n VAL 211 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1k57 n VAL 211 Cb 0.00 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1k57 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k57 n GLY 212 N 1.36 2.04 3.62 7.63 0.00 -1.26 -3.48 105.19 115.09 1k57 n GLY 212 Ca 0.12 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1k57 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k57 s THR 213 N 0.00 1.46 0.39 2.61 -4.23 0.91 -4.86 115.64 111.91 1k57 s THR 213 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1k57 s THR 213 Cb 0.00 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.51 1k57 s THR 213 CO 0.00 0.00 1.94 -0.33 -0.54 0.00 0.00 174.62 175.69 1k57 h GLU 214 N 1.72 0.58 0.06 3.99 5.08 -1.92 -2.12 114.58 121.97 1k57 h GLU 214 Ca -0.42 -0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 57.60 1k57 h GLU 214 Cb 1.27 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1k57 h GLU 214 CO 0.74 0.38 -1.60 0.77 -1.00 0.00 0.00 179.01 178.30 1k57 h SER 215 N 0.60 0.21 -2.73 1.42 0.02 -1.96 -3.39 113.55 107.71 1k57 h SER 215 Ca 0.34 -0.35 -0.61 0.00 -0.84 0.00 0.00 61.79 60.33 1k57 h SER 215 Cb 0.54 -0.07 -0.41 0.00 0.14 0.00 0.00 62.40 62.60 1k57 h SER 215 CO -0.12 1.30 -0.70 0.59 -1.14 0.00 0.00 176.83 176.76 1k57 n ASN 216 N -3.30 2.14 -4.71 3.07 5.03 -1.12 -5.11 115.26 111.25 1k57 n ASN 216 Ca -0.17 -3.02 -0.29 0.00 0.87 0.00 0.00 54.58 51.97 1k57 n ASN 216 Cb 1.03 -0.69 0.15 0.00 -1.02 0.00 0.00 39.78 39.26 1k57 n ASN 216 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1k57 s PRO 217 N -1.23 0.90 0.00 3.52 0.04 -0.81 -0.07 135.00 137.35 1k57 s PRO 217 Ca 0.29 0.60 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 1k57 s PRO 217 Cb 0.01 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1k57 s PRO 217 CO -0.15 -2.43 0.01 0.41 0.04 0.00 0.00 177.00 174.87 1k57 n GLY 218 N -1.29 0.41 3.17 0.56 0.00 0.07 -4.70 105.19 103.40 1k57 n GLY 218 Ca 0.06 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 1k57 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s VAL 219 N -0.01 1.14 -0.01 1.61 0.11 -1.26 -1.23 120.40 120.75 1k57 s VAL 219 Ca 0.00 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 57.91 1k57 s VAL 219 Cb -0.00 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1k57 s VAL 219 CO 0.00 -0.13 -0.16 0.00 -3.33 0.00 0.00 175.10 171.49 1k57 s ALA 220 N -1.10 1.31 0.20 1.54 0.00 -0.55 -1.19 121.76 121.97 1k57 s ALA 220 Ca -0.00 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1k57 s ALA 220 Cb -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1k57 s ALA 220 CO 0.02 0.32 -0.11 -1.58 0.00 0.00 0.00 175.76 174.41 1k57 s TRP 221 N -0.42 1.59 -0.16 0.00 0.52 0.15 -1.62 118.94 118.99 1k57 s TRP 221 Ca 0.06 -0.68 -0.06 0.00 0.02 0.00 0.00 56.10 55.44 1k57 s TRP 221 Cb -0.06 -0.80 0.08 0.00 -1.15 0.00 0.00 33.47 31.53 1k57 s TRP 221 CO -0.00 0.23 0.34 -0.46 0.02 0.00 0.00 176.95 177.08 1k57 s TRP 222 N -3.13 -0.61 0.17 -1.98 -0.00 -0.58 -1.76 118.94 111.05 1k57 s TRP 222 Ca 0.22 1.24 0.06 0.00 -0.00 0.00 0.00 56.10 57.63 1k57 s TRP 222 Cb 0.01 0.14 -0.04 0.00 -0.00 0.00 0.00 33.47 33.58 1k57 s TRP 222 CO 0.06 -0.41 -0.13 0.14 -0.00 0.00 0.00 176.95 176.60 1k57 s VAL 223 N 2.45 1.49 -4.83 5.86 -7.23 -0.49 -0.79 120.40 116.87 1k57 s VAL 223 Ca -0.01 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1k57 s VAL 223 Cb -0.12 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1k57 s VAL 223 CO -0.11 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 1k57 n GLY 224 N -0.10 -0.67 3.28 2.32 0.00 -0.25 -1.40 105.19 108.38 1k57 n GLY 224 Ca -0.10 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1k57 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k57 s TRP 225 N -3.00 -0.21 -0.08 1.61 -2.14 -0.22 -0.89 118.94 114.01 1k57 s TRP 225 Ca 0.00 0.22 0.03 0.00 2.66 0.00 0.00 56.10 59.02 1k57 s TRP 225 Cb 0.00 0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.52 1k57 s TRP 225 CO 0.00 -0.49 -0.19 0.08 -2.66 0.00 0.00 176.95 173.69 1k57 s VAL 226 N -1.99 1.69 -0.31 -0.66 1.01 0.35 -0.98 120.40 119.51 1k57 s VAL 226 Ca -0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1k57 s VAL 226 Cb -0.02 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1k57 s VAL 226 CO 0.01 0.48 0.11 -1.61 0.00 0.00 0.00 175.10 174.08 1k57 s GLU 227 N 0.44 3.05 -0.18 2.72 2.02 0.43 -0.22 118.70 126.96 1k57 s GLU 227 Ca -0.16 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 53.94 1k57 s GLU 227 Cb -0.17 -3.45 0.03 0.00 0.10 0.00 0.00 34.13 30.64 1k57 s GLU 227 CO 0.07 -0.49 -0.15 0.21 0.02 0.00 0.00 175.26 174.91 1k57 s LYS 228 N 1.51 2.49 5.30 1.61 2.20 -0.67 -0.95 119.74 131.23 1k57 s LYS 228 Ca 0.02 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1k57 s LYS 228 Cb -0.18 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1k57 s LYS 228 CO 0.04 -0.28 0.00 0.39 -0.36 0.00 0.00 175.35 175.13 1k57 n GLU 229 N 4.68 0.00 -0.58 4.03 1.02 -0.53 -1.16 120.64 128.11 1k57 n GLU 229 Ca -0.18 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1k57 n GLU 229 Cb 0.49 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.25 1k57 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k57 n THR 230 N 0.00 1.84 -3.95 2.62 -2.24 -1.26 -4.95 114.28 106.35 1k57 n THR 230 Ca 0.00 -1.25 -0.21 0.00 -2.27 0.00 0.00 64.05 60.32 1k57 n THR 230 Cb 0.00 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1k57 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k57 s GLU 231 N -1.90 3.38 -0.02 -0.78 2.56 -0.30 -5.12 118.70 116.52 1k57 s GLU 231 Ca 0.48 -0.80 0.03 0.00 0.00 0.00 0.00 54.97 54.69 1k57 s GLU 231 Cb 0.32 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.58 1k57 s GLU 231 CO 0.22 0.40 -0.10 0.54 -0.56 0.00 0.00 175.26 175.76 1k57 s VAL 232 N -2.00 0.89 -0.08 3.70 0.11 -1.26 -1.68 120.40 120.08 1k57 s VAL 232 Ca 0.35 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1k57 s VAL 232 Cb -0.09 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1k57 s VAL 232 CO 0.29 0.27 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.80 1k57 s TYR 233 N 0.09 2.27 -0.04 1.54 1.51 0.69 -0.28 117.35 123.12 1k57 s TYR 233 Ca -0.02 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1k57 s TYR 233 Cb -0.08 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1k57 s TYR 233 CO 0.00 -0.33 0.03 -0.06 -1.11 0.00 0.00 175.55 174.08 1k57 s PHE 234 N 0.26 3.19 0.00 2.71 0.40 0.18 -0.50 117.98 124.23 1k57 s PHE 234 Ca -0.14 0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 56.22 1k57 s PHE 234 Cb -0.16 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1k57 s PHE 234 CO 0.06 0.50 0.34 -0.59 0.70 0.00 0.00 175.22 176.24 1k57 s PHE 235 N -1.03 -0.20 -0.07 0.36 -0.12 -0.07 -0.47 117.98 116.39 1k57 s PHE 235 Ca 0.17 0.25 -0.13 0.00 -0.05 0.00 0.00 56.93 57.17 1k57 s PHE 235 Cb -0.12 0.13 0.03 0.00 -0.63 0.00 0.00 43.02 42.43 1k57 s PHE 235 CO 0.07 -0.45 0.32 0.00 -0.05 0.00 0.00 175.22 175.11 1k57 s ALA 236 N -1.70 -0.79 -0.04 1.99 0.00 -0.45 -1.09 121.76 119.67 1k57 s ALA 236 Ca -0.11 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 1k57 s ALA 236 Cb -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1k57 s ALA 236 CO 0.02 -0.21 0.11 0.12 0.00 0.00 0.00 175.76 175.81 1k57 s PHE 237 N -0.58 -0.12 0.03 0.00 2.19 0.03 -0.61 117.98 118.93 1k57 s PHE 237 Ca -0.07 0.32 -0.02 0.00 0.33 0.00 0.00 56.93 57.49 1k57 s PHE 237 Cb -0.04 -0.01 -0.02 0.00 -1.31 0.00 0.00 43.02 41.64 1k57 s PHE 237 CO 0.02 -0.09 0.01 0.54 1.83 0.00 0.00 175.22 177.54 1k57 s ASN 238 N 0.42 0.29 0.00 6.13 2.20 -0.66 -1.53 114.94 121.80 1k57 s ASN 238 Ca -0.03 -0.66 -0.18 0.00 -0.94 0.00 0.00 52.86 51.05 1k57 s ASN 238 Cb -0.04 0.17 0.03 0.00 -2.00 0.00 0.00 41.25 39.41 1k57 s ASN 238 CO -0.02 -0.46 0.40 0.00 -2.94 0.00 0.00 177.10 174.08 1k57 s MET 239 N -2.56 0.82 0.34 3.55 0.23 -0.64 -0.07 119.30 120.95 1k57 s MET 239 Ca -0.06 -0.21 -0.27 0.00 -1.03 0.00 0.00 55.69 54.13 1k57 s MET 239 Cb -0.02 0.37 -0.09 0.00 -1.53 0.00 0.00 34.83 33.56 1k57 s MET 239 CO -0.05 -0.25 1.09 -0.51 -2.03 0.00 0.00 175.02 173.27 1k57 s ASP 240 N -1.59 6.99 -0.08 -1.18 1.01 0.00 -1.49 116.67 120.33 1k57 s ASP 240 Ca -0.10 2.20 -0.04 0.00 0.71 0.00 0.00 52.55 55.32 1k57 s ASP 240 Cb -0.03 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1k57 s ASP 240 CO 0.02 -0.33 0.19 -0.51 0.21 0.00 0.00 175.17 174.75 1k57 s ILE 241 N -1.37 -0.04 0.00 0.77 2.07 -0.37 -4.69 121.20 117.57 1k57 s ILE 241 Ca 0.51 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.89 1k57 s ILE 241 Cb -0.28 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.01 1k57 s ILE 241 CO 0.36 0.06 0.56 -0.90 -1.91 0.00 0.00 174.94 173.11 1k57 n ASP 242 N 4.06 0.83 -3.62 4.50 3.85 -1.26 -0.75 116.55 124.16 1k57 n ASP 242 Ca -0.24 -1.32 -0.19 0.00 -0.71 0.00 0.00 54.79 52.34 1k57 n ASP 242 Cb 0.53 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.15 1k57 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k57 s ASN 243 N -0.32 1.15 0.61 -1.12 3.84 -1.26 -4.89 114.94 112.96 1k57 s ASN 243 Ca 0.00 0.05 0.30 0.00 0.21 0.00 0.00 52.86 53.42 1k57 s ASN 243 Cb 0.00 0.21 1.64 0.00 -0.55 0.00 0.00 41.25 42.54 1k57 s ASN 243 CO 0.00 -0.28 2.01 -0.08 -2.79 0.00 0.00 177.10 175.96 1k57 h GLU 244 N 8.36 0.00 0.00 0.43 4.81 -1.97 -1.57 114.58 124.65 1k57 h GLU 244 Ca -0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1k57 h GLU 244 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1k57 h GLU 244 CO 0.20 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.35 1k57 n SER 245 N -3.50 0.61 -0.70 1.04 3.41 -1.26 -1.65 113.62 111.57 1k57 n SER 245 Ca 0.03 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1k57 n SER 245 Cb 0.43 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 63.89 1k57 n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k57 n LYS 246 N -2.22 1.94 -0.26 4.33 4.76 -0.59 -4.48 118.16 121.64 1k57 n LYS 246 Ca 0.01 -1.40 0.08 0.00 -2.87 0.00 0.00 58.31 54.13 1k57 n LYS 246 Cb 0.17 -1.47 0.21 0.00 -1.84 0.00 0.00 35.03 32.10 1k57 n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k57 h LEU 247 N 3.42 0.03 -2.55 -0.35 5.85 -1.47 -1.96 115.31 118.27 1k57 h LEU 247 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1k57 h LEU 247 Cb 0.74 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1k57 h LEU 247 CO 0.00 -0.06 0.00 -0.65 -0.34 0.00 0.00 178.44 177.39 1k57 h PRO 248 N 0.27 0.00 0.00 5.25 0.11 -1.84 -1.38 132.00 134.42 1k57 h PRO 248 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1k57 h PRO 248 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1k57 h PRO 248 CO -0.54 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.18 1k57 h LEU 249 N 0.00 0.00 -1.84 2.35 3.38 -1.70 -1.19 115.31 116.31 1k57 h LEU 249 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1k57 h LEU 249 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1k57 h LEU 249 CO 0.00 0.00 -0.12 0.08 0.09 0.00 0.00 178.44 178.49 1k57 h ARG 250 N 0.00 0.00 0.01 1.13 0.11 -1.43 -1.64 114.38 112.55 1k57 h ARG 250 Ca 0.00 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.69 1k57 h ARG 250 Cb 0.05 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.06 1k57 h ARG 250 CO 0.00 0.12 -2.45 1.63 0.10 0.00 0.00 179.97 179.37 1k57 n LYS 251 N -3.57 0.66 -0.17 0.08 5.02 -0.57 -4.46 118.16 115.15 1k57 n LYS 251 Ca -0.01 0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 1k57 n LYS 251 Cb 0.26 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1k57 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k57 h SER 252 N 0.00 0.95 0.37 4.39 4.64 -1.21 0.00 113.55 122.69 1k57 h SER 252 Ca -0.57 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 60.39 1k57 h SER 252 Cb 1.93 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1k57 h SER 252 CO -0.07 1.07 -0.18 0.40 -0.87 0.00 0.00 176.83 177.18 1k57 h ILE 253 N 0.81 0.65 -0.89 0.95 2.04 -1.56 0.20 117.51 119.72 1k57 h ILE 253 Ca 0.13 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1k57 h ILE 253 Cb 0.63 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1k57 h ILE 253 CO 0.04 0.04 0.58 -0.65 0.00 0.00 0.00 178.15 178.16 1k57 h PRO 254 N -0.60 1.18 -0.69 2.37 0.11 -1.75 -2.32 132.00 130.30 1k57 h PRO 254 Ca -0.05 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1k57 h PRO 254 Cb 0.44 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1k57 h PRO 254 CO 0.08 0.79 0.43 1.15 -0.21 0.00 0.00 178.00 180.24 1k57 h THR 255 N 1.21 1.19 -0.66 -1.15 2.02 -0.90 0.05 112.91 114.68 1k57 h THR 255 Ca 0.32 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1k57 h THR 255 Cb -0.12 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1k57 h THR 255 CO -0.07 0.20 0.22 0.11 0.37 0.00 0.00 175.52 176.34 1k57 h LYS 256 N 0.94 0.99 -0.28 6.66 1.57 -0.43 -0.41 116.57 125.61 1k57 h LYS 256 Ca 0.25 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1k57 h LYS 256 Cb -0.05 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1k57 h LYS 256 CO -0.05 0.84 -0.26 0.82 -0.57 0.00 0.00 179.45 180.23 1k57 h ILE 257 N 0.96 1.30 -0.68 1.86 2.04 -1.15 -1.65 117.51 120.21 1k57 h ILE 257 Ca 0.22 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 1k57 h ILE 257 Cb 0.26 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1k57 h ILE 257 CO -0.01 0.45 0.13 0.24 0.00 0.00 0.00 178.15 178.96 1k57 h MET 258 N 0.40 1.11 -0.62 2.37 2.86 -0.68 -2.43 114.93 117.95 1k57 h MET 258 Ca 0.05 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 1k57 h MET 258 Cb 0.83 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1k57 h MET 258 CO 0.07 1.00 0.07 0.93 1.06 0.00 0.00 176.91 180.04 1k57 h GLU 259 N 1.04 1.05 0.00 1.72 5.08 -0.98 0.22 114.58 122.70 1k57 h GLU 259 Ca 0.21 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1k57 h GLU 259 Cb 0.42 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1k57 h GLU 259 CO 0.01 0.99 0.00 -1.13 -1.00 0.00 0.00 179.01 177.88 1k57 n SER 260 N -4.24 0.46 -0.94 1.42 3.41 -0.63 -0.11 113.62 112.99 1k57 n SER 260 Ca 0.03 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 1k57 n SER 260 Cb 0.30 -0.75 0.12 0.00 -0.26 0.00 0.00 64.21 63.62 1k57 n SER 260 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k57 n GLU 261 N -2.08 2.18 -0.44 4.33 -0.58 -0.49 -4.94 120.64 118.62 1k57 n GLU 261 Ca 0.00 -1.93 0.00 0.00 -0.42 0.00 0.00 57.16 54.82 1k57 n GLU 261 Cb 0.10 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1k57 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k57 n GLY 262 N 1.29 0.76 3.40 0.62 0.00 0.84 -5.01 105.19 107.10 1k57 n GLY 262 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 1k57 n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k57 s ILE 263 N -2.27 4.83 0.00 -0.61 1.01 0.66 -4.98 121.20 119.85 1k57 s ILE 263 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1k57 s ILE 263 Cb 0.00 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.87 1k57 s ILE 263 CO 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 174.94 173.67