#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 2.21 -0.17 2.89 3.76 -1.26 -4.97 115.29 117.75 2k2r s HIS 2 Ca 0.00 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 2k2r s HIS 2 Cb 0.00 -4.33 0.03 0.00 1.11 0.00 0.00 32.58 29.39 2k2r s HIS 2 CO 0.00 -2.08 -0.16 -1.83 -0.85 0.00 0.00 174.74 169.82 2k2r s GLU 3 N 5.55 2.51 -0.16 1.40 -1.05 -1.26 -5.09 118.70 120.60 2k2r s GLU 3 Ca 0.57 -0.74 -0.06 0.00 -0.15 0.00 0.00 54.97 54.59 2k2r s GLU 3 Cb -0.12 -2.37 0.08 0.00 -0.44 0.00 0.00 34.13 31.28 2k2r s GLU 3 CO 0.27 -0.27 0.33 0.50 0.95 0.00 0.00 175.26 177.04 2k2r s ARG 4 N 1.38 0.23 0.00 -4.83 3.00 -1.26 -4.99 118.95 112.48 2k2r s ARG 4 Ca 0.03 0.87 0.00 0.00 -1.00 0.00 0.00 55.73 55.64 2k2r s ARG 4 Cb -0.14 0.12 0.00 0.00 0.00 0.00 0.00 34.95 34.93 2k2r s ARG 4 CO -0.11 -0.28 0.00 -3.47 0.00 0.00 0.00 175.30 171.44 2k2r n ASP 5 N 5.37 0.70 0.22 -2.12 -0.08 -1.26 -4.99 116.55 114.38 2k2r n ASP 5 Ca -0.07 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.06 2k2r n ASP 5 Cb 0.50 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.88 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2r h ALA 6 N 1.31 -0.74 -0.30 -1.67 0.00 -2.00 -2.81 119.26 113.05 2k2r h ALA 6 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k2r h ALA 6 Cb 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2k2r h ALA 6 CO 0.00 -0.95 -0.28 0.27 0.00 0.00 0.00 179.25 178.29 2k2r h PHE 7 N -0.71 -0.86 0.00 0.00 -0.00 -1.96 1.50 116.94 114.90 2k2r h PHE 7 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 2k2r h PHE 7 Cb 0.65 0.41 0.00 0.00 -0.00 0.00 0.00 35.95 37.01 2k2r h PHE 7 CO -0.20 -0.22 0.00 -3.47 -0.00 0.00 0.00 178.31 174.42 2k2r n ASP 8 N -4.03 0.00 -0.11 -0.68 2.03 -1.20 0.22 116.55 112.78 2k2r n ASP 8 Ca -0.01 0.84 -0.05 0.00 0.52 0.00 0.00 54.79 56.09 2k2r n ASP 8 Cb 0.15 -0.34 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2k2r h THR 9 N 0.00 0.71 0.46 5.18 2.02 -1.34 2.15 112.91 122.09 2k2r h THR 9 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2k2r h THR 9 Cb 0.00 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2k2r h THR 9 CO 0.00 0.02 -0.49 0.25 0.37 0.00 0.00 175.52 175.67 2k2r h LEU 10 N 0.09 -1.34 0.00 2.58 5.85 0.24 0.52 115.31 123.25 2k2r h LEU 10 Ca 0.18 0.11 -0.20 0.00 0.84 0.00 0.00 57.88 58.81 2k2r h LEU 10 Cb 0.25 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2k2r h LEU 10 CO -0.31 -0.64 -1.07 -0.26 -0.34 0.00 0.00 178.44 175.82 2k2r h PHE 11 N -0.96 0.00 0.00 1.25 0.04 -0.04 -2.37 116.94 114.86 2k2r h PHE 11 Ca -0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2k2r h PHE 11 Cb 0.84 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 2k2r h PHE 11 CO -0.26 0.88 -0.08 -0.44 -0.60 0.00 0.00 178.31 177.80 2k2r h ASP 12 N 0.00 0.00 -0.13 2.17 5.19 0.36 -3.11 116.42 120.90 2k2r h ASP 12 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2k2r h ASP 12 Cb 1.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.24 2k2r h ASP 12 CO 0.10 0.08 0.00 1.57 -3.12 0.00 0.00 179.24 177.87 2k2r n HIS 13 N -3.13 0.32 -2.69 4.55 -0.00 0.17 -4.79 115.22 109.65 2k2r n HIS 13 Ca 0.03 -0.74 -0.06 0.00 0.46 0.00 0.00 57.72 57.41 2k2r n HIS 13 Cb 0.51 -0.14 0.07 0.00 -0.12 0.00 0.00 29.99 30.31 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N -0.57 -2.90 0.21 1.57 0.00 -0.89 -4.97 120.51 112.95 2k2r n ALA 14 Ca 0.12 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 53.02 2k2r n ALA 14 Cb 0.56 -2.65 0.54 0.00 0.00 0.00 0.00 19.45 17.90 2k2r n ALA 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k2r n PRO 15 N 1.53 0.15 0.07 0.00 -0.02 -1.18 -0.71 135.00 134.84 2k2r n PRO 15 Ca 0.04 0.58 -0.06 0.00 -2.02 0.00 0.00 63.50 62.04 2k2r n PRO 15 Cb 0.68 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 2k2r n PRO 15 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k2r h ASP 16 N 0.00 0.00 0.73 2.55 3.32 -1.91 -3.17 116.42 117.93 2k2r h ASP 16 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2k2r h ASP 16 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2k2r h ASP 16 CO 0.00 0.93 -1.15 0.11 -1.72 0.00 0.00 179.24 177.40 2k2r h LYS 17 N 0.00 0.19 -0.72 3.56 1.57 -1.24 -2.87 116.57 117.07 2k2r h LYS 17 Ca -0.01 -0.32 0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2k2r h LYS 17 Cb 1.64 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 33.94 2k2r h LYS 17 CO 0.12 1.15 -0.09 1.25 -0.57 0.00 0.00 179.45 181.30 2k2r h LEU 18 N 0.06 -0.51 0.34 2.94 6.46 -1.42 1.79 115.31 124.97 2k2r h LEU 18 Ca -0.09 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2k2r h LEU 18 Cb 1.89 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 42.21 2k2r h LEU 18 CO 0.18 -0.21 -0.16 -0.55 -0.62 0.00 0.00 178.44 177.08 2k2r h ASN 19 N 0.05 -0.39 -0.10 1.25 -1.07 -1.60 -2.69 115.58 111.02 2k2r h ASN 19 Ca 0.37 -0.13 0.02 0.00 0.07 0.00 0.00 56.30 56.62 2k2r h ASN 19 Cb 0.60 0.10 -0.00 0.00 -2.07 0.00 0.00 38.32 36.95 2k2r h ASN 19 CO -0.69 0.06 0.07 0.58 0.07 0.00 0.00 177.43 177.53 2k2r h VAL 20 N -1.00 0.99 -0.22 6.14 2.07 -1.15 -1.41 116.25 121.67 2k2r h VAL 20 Ca -0.05 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 2k2r h VAL 20 Cb 0.50 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2k2r h VAL 20 CO 0.08 0.01 -0.41 0.58 0.02 0.00 0.00 177.57 177.85 2k2r h VAL 21 N 0.07 1.32 -0.64 2.57 2.07 0.27 -2.24 116.25 119.67 2k2r h VAL 21 Ca 0.04 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 2k2r h VAL 21 Cb 0.09 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2k2r h VAL 21 CO -0.01 0.51 0.34 0.50 0.02 0.00 0.00 177.57 178.93 2k2r h LYS 22 N 0.35 0.90 -0.51 1.57 3.64 -1.07 -1.42 116.57 120.03 2k2r h LYS 22 Ca 0.01 -0.11 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 2k2r h LYS 22 Cb 1.00 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2k2r h LYS 22 CO 0.09 0.69 0.36 0.87 -2.27 0.00 0.00 179.45 179.19 2k2r h LYS 23 N 0.87 0.15 -0.03 1.90 1.57 -1.05 0.31 116.57 120.31 2k2r h LYS 23 Ca 0.22 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 2k2r h LYS 23 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2k2r h LYS 23 CO -0.03 0.10 -0.78 1.15 -0.57 0.00 0.00 179.45 179.32 2k2r h THR 24 N 0.16 1.45 -0.11 -0.16 2.02 -0.66 -2.23 112.91 113.37 2k2r h THR 24 Ca 0.24 -2.37 -0.10 0.00 0.77 0.00 0.00 66.41 64.95 2k2r h THR 24 Cb 0.75 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 2k2r h THR 24 CO -0.03 0.69 -0.40 -0.07 0.37 0.00 0.00 175.52 176.08 2k2r h LEU 25 N 0.15 0.25 -1.32 2.58 3.38 -0.64 -1.38 115.31 118.33 2k2r h LEU 25 Ca -0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2k2r h LEU 25 Cb 1.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2k2r h LEU 25 CO 0.12 0.63 -0.09 0.40 0.09 0.00 0.00 178.44 179.58 2k2r h ILE 26 N 0.20 1.19 -0.40 1.22 2.04 -0.69 -2.62 117.51 118.44 2k2r h ILE 26 Ca 0.02 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 2k2r h ILE 26 Cb 0.79 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2k2r h ILE 26 CO 0.06 0.26 -0.13 0.74 0.00 0.00 0.00 178.15 179.09 2k2r h THR 27 N 0.33 1.28 -0.39 -0.27 2.02 -0.68 0.12 112.91 115.31 2k2r h THR 27 Ca 0.07 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.05 2k2r h THR 27 Cb 0.37 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 2k2r h THR 27 CO 0.02 0.41 0.19 0.15 0.37 0.00 0.00 175.52 176.66 2k2r h PHE 28 N 0.60 0.34 -0.46 3.16 3.57 -1.16 -0.72 116.94 122.28 2k2r h PHE 28 Ca 0.10 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2k2r h PHE 28 Cb 0.66 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2k2r h PHE 28 CO 0.05 0.17 -0.04 0.28 -2.23 0.00 0.00 178.31 176.55 2k2r h VAL 29 N 0.38 1.27 0.00 1.41 2.07 -1.44 -1.41 116.25 118.53 2k2r h VAL 29 Ca 0.17 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2k2r h VAL 29 Cb 0.09 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2k2r h VAL 29 CO -0.13 0.38 0.16 -1.13 0.02 0.00 0.00 177.57 176.88 2k2r h ASN 30 N 0.68 0.00 0.04 0.57 -0.73 -0.06 0.58 115.58 116.67 2k2r h ASN 30 Ca 0.13 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2k2r h ASN 30 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2k2r h ASN 30 CO 0.03 0.00 -0.02 0.50 -0.37 0.00 0.00 177.43 177.57 2k2r h LYS 31 N 0.00 -0.05 0.00 6.67 1.63 -0.02 2.33 116.57 127.13 2k2r h LYS 31 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2k2r h LYS 31 Cb 0.33 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2k2r h LYS 31 CO 0.00 0.41 -0.16 0.45 -3.45 0.00 0.00 179.45 176.70 2k2r h HIS 32 N -0.98 0.00 0.09 1.91 3.86 -1.09 -2.25 115.15 116.69 2k2r h HIS 32 Ca -0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 2k2r h HIS 32 Cb 0.49 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.96 2k2r h HIS 32 CO 0.12 0.16 -0.77 -0.07 0.86 0.00 0.00 177.93 178.24 2k2r h LEU 33 N 0.00 0.28 -1.70 2.43 3.38 0.14 -3.20 115.31 116.64 2k2r h LEU 33 Ca -0.00 -0.90 0.17 0.00 0.09 0.00 0.00 57.88 57.24 2k2r h LEU 33 Cb 0.34 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2k2r h LEU 33 CO 0.02 1.35 0.68 0.78 0.09 0.00 0.00 178.44 181.36 2k2r h ASN 34 N -0.58 0.00 0.11 -0.43 4.21 0.45 -0.64 115.58 118.70 2k2r h ASN 34 Ca -0.16 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.36 2k2r h ASN 34 Cb 1.47 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.62 2k2r h ASN 34 CO 0.06 0.00 -0.49 0.50 -1.29 0.00 0.00 177.43 176.21 2k2r h LYS 35 N 0.00 -0.67 -0.09 0.81 1.63 -1.42 1.02 116.57 117.85 2k2r h LYS 35 Ca 0.28 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2k2r h LYS 35 Cb 1.64 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 2k2r h LYS 35 CO -0.00 -0.45 0.00 -0.11 -3.45 0.00 0.00 179.45 175.44 2k2r n LEU 36 N -5.24 0.09 -3.21 5.20 7.94 -0.32 -4.88 117.00 116.59 2k2r n LEU 36 Ca -0.08 -0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 54.67 2k2r n LEU 36 Cb 0.38 -0.05 0.01 0.00 0.53 0.00 0.00 43.42 44.29 2k2r n LEU 36 CO 0.14 0.02 0.10 -0.46 -1.11 0.00 0.00 177.39 176.09 2k2r n ASN 37 N -0.45 -7.01 0.00 1.96 0.23 0.35 -5.04 115.26 105.31 2k2r n ASN 37 Ca 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2k2r n ASN 37 Cb 0.02 -4.23 0.00 0.00 -2.08 0.00 0.00 39.78 33.50 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -1.47 0.00 -3.28 -4.53 7.99 -1.12 -4.94 117.00 109.65 2k2r n LEU 38 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 55.98 2k2r n LEU 38 Cb 0.55 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.83 2k2r n LEU 38 CO 0.54 0.00 0.47 -0.70 -1.51 0.00 0.00 177.39 176.19 2k2r s GLU 39 N 1.76 0.35 0.23 3.23 2.12 -1.26 -4.64 118.70 120.49 2k2r s GLU 39 Ca 0.00 0.72 0.07 0.00 0.36 0.00 0.00 54.97 56.12 2k2r s GLU 39 Cb 0.00 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 2k2r s GLU 39 CO 0.00 -0.27 0.19 0.54 -0.54 0.00 0.00 175.26 175.19 2k2r s VAL 40 N 2.76 4.49 0.00 3.70 0.11 -1.26 -5.03 120.40 125.17 2k2r s VAL 40 Ca 0.03 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 2k2r s VAL 40 Cb -0.10 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2k2r s VAL 40 CO -0.16 -0.30 0.00 0.41 -3.33 0.00 0.00 175.10 171.72 2k2r n THR 41 N -1.01 0.00 -3.46 5.04 -1.04 -1.26 -4.98 114.28 107.57 2k2r n THR 41 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.65 2k2r n THR 41 Cb 0.57 1.20 -0.11 0.00 -1.82 0.00 0.00 70.33 70.17 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N 0.00 0.93 0.18 -2.82 8.01 -1.26 -4.96 118.70 118.78 2k2r s GLU 42 Ca 0.00 -1.98 -0.14 0.00 0.01 0.00 0.00 54.97 52.86 2k2r s GLU 42 Cb 0.00 -1.57 0.15 0.00 -4.31 0.00 0.00 34.13 28.40 2k2r s GLU 42 CO 0.00 -1.32 1.75 1.25 0.01 0.00 0.00 175.26 176.94 2k2r h LEU 43 N 6.04 0.16 -0.24 1.80 7.12 -1.95 0.58 115.31 128.82 2k2r h LEU 43 Ca 0.19 0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.29 2k2r h LEU 43 Cb 0.92 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.04 2k2r h LEU 43 CO 0.37 0.12 -0.41 -0.33 -0.13 0.00 0.00 178.44 178.06 2k2r h GLU 44 N 0.33 -0.32 0.00 1.25 5.08 -1.90 0.15 114.58 119.16 2k2r h GLU 44 Ca 0.22 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2k2r h GLU 44 Cb 0.23 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k2r h GLU 44 CO -0.23 -0.21 0.00 0.25 -1.00 0.00 0.00 179.01 177.81 2k2r n THR 45 N -4.66 0.10 0.25 1.13 -2.24 -1.05 -2.77 114.28 105.04 2k2r n THR 45 Ca -0.03 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2k2r n THR 45 Cb 0.26 -0.63 0.41 0.00 -2.10 0.00 0.00 70.33 68.27 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k2r h GLN 46 N 0.00 0.00 0.00 -0.78 1.08 0.12 -1.98 115.11 113.55 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2k2r h GLN 46 CO 0.00 0.00 -0.95 1.19 -0.95 0.00 0.00 178.83 178.12 2k2r n PHE 47 N -3.08 0.34 0.50 2.96 3.01 -1.12 -2.95 117.46 117.12 2k2r n PHE 47 Ca 0.02 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2k2r n PHE 47 Cb 0.43 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.84 1.96 0.00 4.37 0.00 -0.74 -2.21 120.51 122.04 2k2r n ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k2r n ALA 48 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.68 0.00 0.00 0.00 5.68 -1.25 -4.93 116.55 116.73 2k2r n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k2r n ASP 49 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k2r n GLY 50 N -0.02 0.00 0.18 6.12 0.00 -0.94 -4.77 105.19 105.76 2k2r n GLY 50 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2k2r n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k2r h VAL 51 N 0.00 0.00 0.00 1.61 2.07 -1.89 -2.94 116.25 115.09 2k2r h VAL 51 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2k2r h VAL 51 Cb 0.74 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2k2r h VAL 51 CO 0.00 0.00 0.16 1.88 0.02 0.00 0.00 177.57 179.63 2k2r h TYR 52 N -1.07 0.00 0.32 1.57 0.05 -1.86 -2.22 116.97 113.77 2k2r h TYR 52 Ca -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2k2r h TYR 52 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2k2r h TYR 52 CO 0.00 0.00 -0.16 -0.07 -1.05 0.00 0.00 178.16 176.89 2k2r h LEU 53 N 0.00 -0.37 -2.31 3.88 -0.00 -1.77 -2.01 115.31 112.72 2k2r h LEU 53 Ca 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 2k2r h LEU 53 Cb 0.33 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2k2r h LEU 53 CO 0.00 -0.04 0.09 0.58 -0.00 0.00 0.00 178.44 179.06 2k2r h VAL 54 N -0.88 0.57 0.40 1.22 2.07 -1.25 -2.49 116.25 115.89 2k2r h VAL 54 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k2r h VAL 54 Cb 0.33 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k2r h VAL 54 CO 0.07 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.40 2k2r h LEU 55 N 0.00 -0.46 -1.60 2.57 3.38 -1.44 -2.76 115.31 115.00 2k2r h LEU 55 Ca 0.04 -0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.25 2k2r h LEU 55 Cb 0.22 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2k2r h LEU 55 CO -0.00 -0.02 0.68 0.17 0.09 0.00 0.00 178.44 179.36 2k2r h LEU 56 N -1.12 0.30 -0.43 1.67 8.10 -1.12 0.21 115.31 122.91 2k2r h LEU 56 Ca -0.05 0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 2k2r h LEU 56 Cb 0.45 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 2k2r h LEU 56 CO 0.09 0.08 0.20 0.24 -4.11 0.00 0.00 178.44 174.94 2k2r h MET 57 N 0.27 0.63 -0.29 0.17 2.86 -1.40 -1.33 114.93 115.85 2k2r h MET 57 Ca 0.53 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.90 2k2r h MET 57 Cb 1.58 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 2k2r h MET 57 CO -0.17 0.56 -0.49 0.78 1.06 0.00 0.00 176.91 178.64 2k2r h GLY 58 N 0.56 0.92 2.00 8.32 0.00 -0.32 -2.52 103.07 112.03 2k2r h GLY 58 Ca 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.42 2k2r h GLY 58 CO -0.02 0.95 0.00 1.41 0.00 0.00 0.00 176.54 178.88 2k2r h LEU 59 N 0.61 0.00 0.04 3.11 3.38 -1.11 0.21 115.31 121.55 2k2r h LEU 59 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2k2r h LEU 59 Cb 1.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.86 2k2r h LEU 59 CO 0.11 0.00 -0.75 0.25 0.09 0.00 0.00 178.44 178.14 2k2r h LEU 60 N 0.00 0.59 -0.22 1.67 7.12 -0.83 -3.26 115.31 120.39 2k2r h LEU 60 Ca 0.00 -0.80 -0.03 0.00 0.13 0.00 0.00 57.88 57.18 2k2r h LEU 60 Cb 0.23 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2k2r h LEU 60 CO 0.00 1.32 0.01 -0.08 -0.13 0.00 0.00 178.44 179.56 2k2r h GLU 61 N -0.07 0.38 0.00 1.25 4.81 -0.80 -3.48 114.58 116.68 2k2r h GLU 61 Ca -0.10 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2k2r h GLU 61 Cb 1.47 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2k2r h GLU 61 CO 0.15 0.56 0.00 0.41 -0.73 0.00 0.00 179.01 179.40 2k2r n GLY 62 N -0.33 0.55 3.68 1.92 0.00 0.60 -5.12 105.19 106.49 2k2r n GLY 62 Ca -0.04 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 2k2r n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2r s TYR 63 N -0.53 -0.27 -0.04 1.61 2.02 -1.16 -5.03 117.35 113.95 2k2r s TYR 63 Ca 0.00 -0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.43 2k2r s TYR 63 Cb 0.00 0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 42.14 2k2r s TYR 63 CO 0.00 -0.91 0.67 -0.06 -1.57 0.00 0.00 175.55 173.68 2k2r s PHE 64 N -3.55 3.62 -0.42 2.71 0.40 -1.26 -4.25 117.98 115.23 2k2r s PHE 64 Ca 0.08 1.25 -0.13 0.00 -0.60 0.00 0.00 56.93 57.54 2k2r s PHE 64 Cb -0.03 -2.74 0.05 0.00 0.51 0.00 0.00 43.02 40.81 2k2r s PHE 64 CO -0.01 0.19 0.29 0.08 0.70 0.00 0.00 175.22 176.47 2k2r s VAL 65 N 0.41 4.82 0.91 -0.44 1.01 -1.26 -5.07 120.40 120.78 2k2r s VAL 65 Ca 0.35 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2k2r s VAL 65 Cb -0.18 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.50 2k2r s VAL 65 CO 0.18 -0.41 0.93 -2.65 0.00 0.00 0.00 175.10 173.15 2k2r n PRO 66 N 5.07 -0.34 0.09 2.72 -0.02 -1.26 -4.90 135.00 136.36 2k2r n PRO 66 Ca -0.11 -0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 2k2r n PRO 66 Cb 0.45 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2r h LEU 67 N -1.68 -0.19 -1.60 2.45 4.07 -2.00 -2.72 115.31 113.64 2k2r h LEU 67 Ca -0.43 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.28 2k2r h LEU 67 Cb 1.28 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 2k2r h LEU 67 CO 0.40 0.13 0.02 0.00 -1.08 0.00 0.00 178.44 177.91 2k2r n HIS 68 N -5.05 0.37 0.09 1.13 1.44 -1.26 -3.78 115.22 108.16 2k2r n HIS 68 Ca -0.09 -0.24 -0.13 0.00 -2.01 0.00 0.00 57.72 55.25 2k2r n HIS 68 Cb 0.22 -0.21 -0.13 0.00 0.12 0.00 0.00 29.99 29.99 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k2r h SER 69 N 0.55 0.29 0.00 4.39 0.87 -1.83 -3.46 113.55 114.36 2k2r h SER 69 Ca 0.02 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2k2r h SER 69 Cb 0.86 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2k2r h SER 69 CO 0.10 1.23 0.00 2.22 -0.53 0.00 0.00 176.83 179.85 2k2r n PHE 70 N -3.48 0.00 -0.69 2.24 -1.74 -1.25 -5.03 117.46 107.52 2k2r n PHE 70 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 2k2r n PHE 70 Cb 0.99 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.99 2k2r n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k2r n PHE 71 N 0.00 -3.20 -1.37 2.97 7.35 -1.26 -5.05 117.46 116.90 2k2r n PHE 71 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2k2r n PHE 71 Cb 0.00 0.00 0.08 0.00 0.35 0.00 0.00 39.48 39.91 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2k2r n LEU 72 N 0.00 0.00 -4.71 -2.13 4.77 -1.26 -4.87 117.00 108.80 2k2r n LEU 72 Ca 0.00 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 55.01 2k2r n LEU 72 Cb 0.00 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2k2r n LEU 72 CO 0.00 -0.87 0.49 0.42 -1.33 0.00 0.00 177.39 176.11 2k2r s THR 73 N -2.11 4.99 0.28 -5.08 -4.23 -1.26 -5.00 115.64 103.22 2k2r s THR 73 Ca 0.29 1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 62.15 2k2r s THR 73 Cb -0.01 -4.13 -0.12 0.00 1.34 0.00 0.00 72.50 69.58 2k2r s THR 73 CO 0.20 0.22 1.59 -0.81 -0.54 0.00 0.00 174.62 175.28 2k2r n PRO 74 N 3.85 2.63 -0.05 3.99 -0.04 -1.26 -4.90 135.00 139.22 2k2r n PRO 74 Ca 0.01 0.94 -0.07 0.00 -0.04 0.00 0.00 63.50 64.33 2k2r n PRO 74 Cb 0.51 -2.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2r n ASP 75 N 2.32 2.76 -2.04 3.54 2.03 -1.26 -4.98 116.55 118.91 2k2r n ASP 75 Ca 0.10 -0.02 -0.04 0.00 0.52 0.00 0.00 54.79 55.35 2k2r n ASP 75 Cb 0.36 -0.18 -0.01 0.00 -0.72 0.00 0.00 41.12 40.57 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k2r n SER 76 N -2.91 1.57 0.36 1.67 3.41 -1.26 -5.03 113.62 111.43 2k2r n SER 76 Ca -0.17 -1.27 -0.16 0.00 -0.26 0.00 0.00 58.87 57.01 2k2r n SER 76 Cb 0.67 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.63 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 1.06 -0.87 -0.98 7.33 3.57 -1.99 -2.48 116.94 122.57 2k2r h PHE 77 Ca -0.05 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.70 2k2r h PHE 77 Cb 0.15 0.29 -0.13 0.00 2.79 0.00 0.00 35.95 39.05 2k2r h PHE 77 CO 0.00 -0.52 0.54 1.49 -2.23 0.00 0.00 178.31 177.59 2k2r h GLU 78 N -1.17 0.43 -0.02 1.11 4.81 -1.98 0.91 114.58 118.67 2k2r h GLU 78 Ca -0.10 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2k2r h GLU 78 Cb 0.75 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2k2r h GLU 78 CO 0.16 0.29 -0.30 1.96 -0.73 0.00 0.00 179.01 180.38 2k2r h GLN 79 N 0.44 0.03 0.04 1.92 4.20 -1.93 -1.27 115.11 118.54 2k2r h GLN 79 Ca 0.66 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.30 2k2r h GLN 79 Cb 1.36 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.14 2k2r h GLN 79 CO -0.54 0.33 -0.28 0.87 -0.67 0.00 0.00 178.83 178.54 2k2r h LYS 80 N 0.03 0.13 -0.38 1.46 1.57 0.12 -2.44 116.57 117.06 2k2r h LYS 80 Ca 0.00 -0.19 0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2k2r h LYS 80 Cb 0.55 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2k2r h LYS 80 CO 0.04 1.03 0.37 0.28 -0.57 0.00 0.00 179.45 180.60 2k2r h VAL 81 N -0.68 0.47 0.15 0.50 2.07 -0.57 -0.83 116.25 117.35 2k2r h VAL 81 Ca -0.05 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.21 2k2r h VAL 81 Cb 1.16 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2k2r h VAL 81 CO 0.05 0.00 -1.26 0.25 0.02 0.00 0.00 177.57 176.64 2k2r h LEU 82 N 0.00 0.49 -2.12 2.57 5.85 -1.19 -0.45 115.31 120.46 2k2r h LEU 82 Ca 0.18 -0.90 0.01 0.00 0.84 0.00 0.00 57.88 58.01 2k2r h LEU 82 Cb 0.92 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 2k2r h LEU 82 CO -0.00 1.57 0.03 -1.13 -0.34 0.00 0.00 178.44 178.57 2k2r h ASN 83 N -0.24 0.00 0.62 1.25 -0.00 -0.69 -0.31 115.58 116.21 2k2r h ASN 83 Ca -0.25 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 55.79 2k2r h ASN 83 Cb 1.80 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 40.08 2k2r h ASN 83 CO 0.13 0.00 -1.53 0.58 -0.00 0.00 0.00 177.43 176.61 2k2r h VAL 84 N 0.00 1.00 0.00 2.57 2.07 -1.29 -2.84 116.25 117.77 2k2r h VAL 84 Ca 0.02 -2.80 -0.03 0.00 0.82 0.00 0.00 66.70 64.71 2k2r h VAL 84 Cb 0.09 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2k2r h VAL 84 CO -0.00 0.57 -0.16 -1.28 0.02 0.00 0.00 177.57 176.72 2k2r h SER 85 N 0.00 0.00 0.15 0.57 0.87 0.34 0.94 113.55 116.42 2k2r h SER 85 Ca -0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 2k2r h SER 85 Cb 1.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 2k2r h SER 85 CO 0.09 0.16 -0.07 0.15 -0.53 0.00 0.00 176.83 176.62 2k2r h PHE 86 N 0.00 -0.19 -0.65 2.24 3.57 -1.13 -0.50 116.94 120.28 2k2r h PHE 86 Ca -0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 86 Cb 0.31 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2k2r h PHE 86 CO 0.00 0.17 0.44 0.00 -2.23 0.00 0.00 178.31 176.70 2k2r h ALA 87 N -0.59 2.20 0.00 2.41 0.00 -1.26 1.43 119.26 123.46 2k2r h ALA 87 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k2r h ALA 87 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k2r h ALA 87 CO 0.03 -0.37 -0.22 0.35 0.00 0.00 0.00 179.25 179.05 2k2r h PHE 88 N 0.30 0.00 0.00 0.00 3.04 -0.77 -1.28 116.94 118.22 2k2r h PHE 88 Ca 0.31 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.23 2k2r h PHE 88 Cb 0.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.33 2k2r h PHE 88 CO -0.00 0.22 -0.12 0.93 -2.02 0.00 0.00 178.31 177.32 2k2r h GLU 89 N 0.00 0.08 0.00 1.11 4.39 0.36 -0.34 114.58 120.18 2k2r h GLU 89 Ca -0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2k2r h GLU 89 Cb 0.77 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2k2r h GLU 89 CO 0.03 0.86 0.00 -0.07 -1.16 0.00 0.00 179.01 178.67 2k2r h LEU 90 N -0.67 0.00 0.00 1.33 3.38 -1.13 -2.33 115.31 115.89 2k2r h LEU 90 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k2r h LEU 90 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2k2r h LEU 90 CO 0.02 0.00 -0.07 0.24 0.09 0.00 0.00 178.44 178.72 2k2r h MET 91 N 0.00 0.00 -1.02 1.13 2.86 -1.04 0.92 114.93 117.78 2k2r h MET 91 Ca 0.00 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 57.94 2k2r h MET 91 Cb 0.26 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2k2r h MET 91 CO 0.00 0.38 0.84 0.37 1.06 0.00 0.00 176.91 179.56 2k2r h GLN 92 N -1.00 0.00 0.00 1.72 -0.00 -0.83 0.52 115.11 115.52 2k2r h GLN 92 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.46 2k2r h GLN 92 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.87 2k2r h GLN 92 CO -0.01 0.00 -1.11 -3.47 0.00 0.00 0.00 178.83 174.25 2k2r n ASP 93 N -3.91 1.85 0.00 -0.69 2.03 -0.90 -3.81 116.55 111.12 2k2r n ASP 93 Ca 0.22 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2k2r n ASP 93 Cb 1.18 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2k2r n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2r n GLY 94 N 1.48 -0.07 0.00 0.27 0.00 0.32 -4.87 105.19 102.32 2k2r n GLY 94 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -1.03 0.98 4.70 -0.02 0.00 0.16 -4.98 105.19 105.01 2k2r n GLY 95 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k2r n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k2r n LEU 96 N 0.00 0.00 0.00 0.99 7.94 -1.25 -4.09 117.00 120.59 2k2r n LEU 96 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 2k2r n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2k2r n LEU 96 CO 0.00 0.00 -0.18 -0.62 -1.11 0.00 0.00 177.39 175.48 2k2r n GLU 97 N -0.21 -2.01 -1.15 1.96 1.02 -1.26 -4.56 120.64 114.42 2k2r n GLU 97 Ca 0.00 1.32 -0.35 0.00 -0.02 0.00 0.00 57.16 58.11 2k2r n GLU 97 Cb 0.00 -2.45 -0.11 0.00 -0.02 0.00 0.00 31.44 28.85 2k2r n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k2r n LYS 98 N -3.52 0.00 -1.05 3.49 5.02 -1.26 -4.87 118.16 115.96 2k2r n LYS 98 Ca 0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 2k2r n LYS 98 Cb 0.45 -1.19 0.16 0.00 -0.02 0.00 0.00 35.03 34.43 2k2r n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k2r s PRO 99 N 6.70 0.89 0.10 1.97 0.05 -1.26 -5.01 135.00 138.44 2k2r s PRO 99 Ca 1.06 0.90 0.00 0.00 0.05 0.00 0.00 61.00 63.01 2k2r s PRO 99 Cb -1.04 -1.76 0.00 0.00 0.05 0.00 0.00 34.50 31.75 2k2r s PRO 99 CO 0.41 -2.51 0.00 1.63 0.05 0.00 0.00 177.00 176.58 2k2r n LYS 100 N -4.08 0.00 0.00 4.56 5.02 -1.26 -5.10 118.16 117.29 2k2r n LYS 100 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k2r n LYS 100 Cb 0.55 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k2r n PRO 101 N -2.97 0.82 -4.06 1.97 -0.04 -1.26 -5.09 135.00 124.38 2k2r n PRO 101 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2k2r n PRO 101 Cb 0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.41 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N -0.41 0.53 0.63 0.54 0.52 -1.26 -4.97 118.95 114.53 2k2r s ARG 102 Ca 0.00 -0.78 0.16 0.00 -0.52 0.00 0.00 55.73 54.59 2k2r s ARG 102 Cb 0.00 -0.25 0.58 0.00 0.52 0.00 0.00 34.95 35.79 2k2r s ARG 102 CO 0.00 0.04 1.21 -1.35 0.02 0.00 0.00 175.30 175.22 2k2r h PRO 103 N 4.42 0.00 0.02 3.54 0.11 -1.89 1.12 132.00 139.32 2k2r h PRO 103 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 2k2r h PRO 103 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k2r h PRO 103 CO 0.42 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 179.13 2k2r h GLU 104 N 0.00 -0.03 -1.76 1.05 5.08 -1.94 -2.33 114.58 114.65 2k2r h GLU 104 Ca 0.26 0.00 0.51 0.00 -1.00 0.00 0.00 59.36 59.14 2k2r h GLU 104 Cb 2.42 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.61 2k2r h GLU 104 CO -0.00 0.17 1.33 -0.44 -1.00 0.00 0.00 179.01 179.06 2k2r h ASP 105 N -1.00 0.00 0.00 1.42 5.19 0.90 1.62 116.42 124.54 2k2r h ASP 105 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k2r h ASP 105 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2k2r h ASP 105 CO 0.01 0.00 -0.09 0.40 -3.12 0.00 0.00 179.24 176.43 2k2r h ILE 106 N 0.00 0.00 -1.23 0.35 1.08 -1.47 -3.32 117.51 112.92 2k2r h ILE 106 Ca 0.84 -0.47 0.35 0.00 -0.39 0.00 0.00 64.86 65.20 2k2r h ILE 106 Cb 3.48 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 37.14 2k2r h ILE 106 CO -0.01 0.00 0.83 0.58 -0.69 0.00 0.00 178.15 178.86 2k2r h VAL 107 N -0.47 0.35 0.00 1.67 2.07 -0.28 0.24 116.25 119.84 2k2r h VAL 107 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k2r h VAL 107 Cb 0.09 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2k2r h VAL 107 CO 0.00 0.03 0.00 -3.20 0.02 0.00 0.00 177.57 174.42 2k2r n ASN 108 N -4.44 0.00 0.00 0.57 2.85 0.53 -4.48 115.26 110.28 2k2r n ASN 108 Ca 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 2k2r n ASN 108 Cb 1.21 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.23 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r s ASP 110 N -0.91 3.90 -0.09 0.00 1.47 -1.25 -4.78 116.67 115.01 2k2r s ASP 110 Ca 0.00 1.61 -0.08 0.00 1.18 0.00 0.00 52.55 55.25 2k2r s ASP 110 Cb 0.00 -2.30 -0.03 0.00 -0.34 0.00 0.00 42.92 40.26 2k2r s ASP 110 CO 0.00 -2.38 -0.16 0.18 0.68 0.00 0.00 175.17 173.49 2k2r n LEU 111 N -3.73 1.02 0.00 2.11 7.99 -1.26 -4.36 117.00 118.77 2k2r n LEU 111 Ca 0.08 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2k2r n LEU 111 Cb 0.54 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 2k2r n LEU 111 CO 0.55 -0.41 0.17 1.17 -1.51 0.00 0.00 177.39 177.36 2k2r n LYS 112 N -3.54 0.00 0.46 3.23 3.00 -1.26 -0.73 118.16 119.31 2k2r n LYS 112 Ca -0.06 0.34 -0.19 0.00 -0.00 0.00 0.00 58.31 58.41 2k2r n LYS 112 Cb 0.24 -0.56 -0.09 0.00 0.00 0.00 0.00 35.03 34.62 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2k2r h SER 113 N 0.00 -0.99 -1.07 3.14 4.64 -1.88 -2.68 113.55 114.72 2k2r h SER 113 Ca 0.00 0.03 0.43 0.00 -0.47 0.00 0.00 61.79 61.78 2k2r h SER 113 Cb 0.00 0.26 -0.17 0.00 -0.31 0.00 0.00 62.40 62.17 2k2r h SER 113 CO 0.00 -0.65 0.60 0.74 -0.87 0.00 0.00 176.83 176.65 2k2r h THR 114 N -1.27 0.01 -0.31 2.95 2.02 -1.64 1.12 112.91 115.80 2k2r h THR 114 Ca -0.12 -0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 2k2r h THR 114 Cb 0.90 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2k2r h THR 114 CO 0.20 0.00 -0.41 -0.07 0.37 0.00 0.00 175.52 175.61 2k2r h LEU 115 N 0.01 0.89 -0.45 2.58 3.38 -0.72 -1.08 115.31 119.92 2k2r h LEU 115 Ca 0.85 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 58.40 2k2r h LEU 115 Cb 2.35 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.78 2k2r h LEU 115 CO -0.71 1.21 0.08 -0.09 0.09 0.00 0.00 178.44 179.02 2k2r h ARG 116 N 0.59 0.20 -0.04 1.13 2.43 0.16 0.34 114.38 119.20 2k2r h ARG 116 Ca 0.04 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 2k2r h ARG 116 Cb 1.01 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.52 2k2r h ARG 116 CO 0.10 0.13 -0.49 0.28 -1.51 0.00 0.00 179.97 178.48 2k2r h VAL 117 N 0.21 1.42 -0.79 0.20 2.07 -1.44 -2.85 116.25 115.06 2k2r h VAL 117 Ca 0.22 -1.94 0.05 0.00 0.82 0.00 0.00 66.70 65.85 2k2r h VAL 117 Cb 0.29 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 2k2r h VAL 117 CO -0.30 0.56 0.52 -0.07 0.02 0.00 0.00 177.57 178.30 2k2r h LEU 118 N -0.10 0.80 0.01 2.57 -0.00 -0.99 0.03 115.31 117.64 2k2r h LEU 118 Ca -0.05 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2k2r h LEU 118 Cb 1.18 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.63 2k2r h LEU 118 CO 0.10 0.53 -0.16 0.22 -0.00 0.00 0.00 178.44 179.13 2k2r h TYR 119 N 0.92 -0.41 -1.06 1.13 3.20 -0.90 0.88 116.97 120.73 2k2r h TYR 119 Ca 0.33 0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.55 2k2r h TYR 119 Cb 0.14 0.18 -0.14 0.00 1.54 0.00 0.00 36.73 38.45 2k2r h TYR 119 CO -0.00 -0.23 0.63 -0.97 -1.64 0.00 0.00 178.16 175.95 2k2r h ASN 120 N -0.27 0.46 0.18 -2.11 -0.73 -0.77 -0.94 115.58 111.41 2k2r h ASN 120 Ca 0.05 0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 2k2r h ASN 120 Cb 0.33 0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2k2r h ASN 120 CO -0.14 -0.13 -0.09 -0.07 -0.37 0.00 0.00 177.43 176.63 2k2r h LEU 121 N 0.28 -0.21 -1.66 0.34 4.07 -0.31 -2.88 115.31 114.95 2k2r h LEU 121 Ca 0.74 0.01 0.48 0.00 0.08 0.00 0.00 57.88 59.19 2k2r h LEU 121 Cb 1.82 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 43.55 2k2r h LEU 121 CO -0.55 0.09 1.36 0.33 -1.08 0.00 0.00 178.44 178.59 2k2r n PHE 122 N -3.98 0.00 0.01 1.13 7.35 -0.33 0.17 117.46 121.81 2k2r n PHE 122 Ca -0.03 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2k2r n PHE 122 Cb 0.10 -0.41 -0.09 0.00 0.35 0.00 0.00 39.48 39.42 2k2r n PHE 122 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2k2r h THR 123 N 0.00 1.22 0.00 -2.13 2.02 -1.18 -0.96 112.91 111.88 2k2r h THR 123 Ca 0.79 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2k2r h THR 123 Cb 3.50 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 71.93 2k2r h THR 123 CO -0.01 0.30 0.00 0.11 0.37 0.00 0.00 175.52 176.29 2k2r h LYS 124 N -0.70 0.00 0.00 6.66 1.57 0.20 -3.31 116.57 120.99 2k2r h LYS 124 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k2r h LYS 124 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2k2r h LYS 124 CO 0.02 0.00 -1.25 0.66 -0.57 0.00 0.00 179.45 178.31 2k2r n TYR 125 N -2.69 0.00 -0.31 -1.35 4.02 0.14 -4.36 117.16 112.61 2k2r n TYR 125 Ca 0.05 0.00 0.28 0.00 -0.01 0.00 0.00 57.90 58.22 2k2r n TYR 125 Cb 0.47 -0.19 0.62 0.00 -0.02 0.00 0.00 39.34 40.22 2k2r n TYR 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2k2r h ARG 126 N 0.00 0.20 0.00 -0.72 2.43 -1.26 0.14 114.38 115.17 2k2r h ARG 126 Ca 0.00 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 2k2r h ARG 126 Cb 0.54 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2k2r h ARG 126 CO 0.00 0.13 -1.78 0.09 -1.51 0.00 0.00 179.97 176.90 2k2r n ASN 127 N -4.43 0.36 -4.60 -3.80 5.03 -1.26 -4.85 115.26 101.71 2k2r n ASN 127 Ca 0.25 0.15 -0.35 0.00 0.87 0.00 0.00 54.58 55.50 2k2r n ASN 127 Cb 1.04 1.06 -0.10 0.00 -1.02 0.00 0.00 39.78 40.76 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k2r s VAL 128 N -3.12 4.76 -1.92 2.41 1.01 0.48 -5.22 120.40 118.80 2k2r s VAL 128 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2k2r s VAL 128 Cb 0.10 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2k2r s VAL 128 CO 0.85 0.42 0.48 -0.62 0.00 0.00 0.00 175.10 176.23