#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry s SER 2 N 0.00 4.81 0.02 1.61 0.01 -1.26 -4.96 113.70 113.93 2yry s SER 2 Ca 0.00 -2.59 -0.25 0.00 1.31 0.00 0.00 55.95 54.42 2yry s SER 2 Cb 0.00 -1.72 -0.17 0.00 0.21 0.00 0.00 66.02 64.33 2yry s SER 2 CO 0.00 -0.36 1.39 -1.28 0.41 0.00 0.00 173.24 173.40 2yry h SER 3 N 7.17 -0.17 0.00 2.44 0.87 -2.13 -3.48 113.55 118.25 2yry h SER 3 Ca -0.06 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2yry h SER 3 Cb 0.97 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2yry h SER 3 CO 0.65 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 2yry n GLY 4 N -0.39 2.00 2.90 5.77 0.00 -1.26 -5.13 105.19 109.07 2yry n GLY 4 Ca -0.09 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2yry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yry s SER 5 N 0.00 4.08 -0.96 1.61 0.15 -1.26 -5.02 113.70 112.30 2yry s SER 5 Ca 0.00 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.12 2yry s SER 5 Cb 0.00 -1.18 0.26 0.00 -1.71 0.00 0.00 66.02 63.39 2yry s SER 5 CO 0.00 -0.32 2.09 -0.24 1.20 0.00 0.00 173.24 175.97 2yry n SER 6 N 4.63 7.43 -3.73 5.45 2.88 -1.26 -4.81 113.62 124.21 2yry n SER 6 Ca -0.06 -3.58 -0.32 0.00 -1.33 0.00 0.00 58.87 53.58 2yry n SER 6 Cb 0.43 -1.18 -0.07 0.00 -0.75 0.00 0.00 64.21 62.64 2yry n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yry n GLY 7 N 0.21 4.65 1.85 0.46 0.00 -1.26 -4.75 105.19 106.34 2yry n GLY 7 Ca 0.52 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2yry n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yry n GLY 8 N 1.36 -0.21 2.94 -0.02 0.00 -1.26 -5.09 105.19 102.91 2yry n GLY 8 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 2yry n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yry s LYS 9 N -2.00 0.40 -0.05 1.61 2.47 -1.26 -5.04 119.74 115.87 2yry s LYS 9 Ca 0.00 0.42 -0.25 0.00 -1.56 0.00 0.00 55.97 54.58 2yry s LYS 9 Cb 0.00 -0.29 -0.22 0.00 -1.46 0.00 0.00 37.83 35.86 2yry s LYS 9 CO 0.00 -0.80 1.08 0.00 0.16 0.00 0.00 175.35 175.78 2yry h ARG 10 N 8.15 0.11 -6.94 4.03 3.08 -1.98 -3.45 114.38 117.38 2yry h ARG 10 Ca -0.15 -0.10 -0.51 0.00 0.07 0.00 0.00 59.98 59.29 2yry h ARG 10 Cb 1.14 0.02 0.05 0.00 0.08 0.00 0.00 29.97 31.27 2yry h ARG 10 CO 0.26 0.80 0.50 -1.54 -1.07 0.00 0.00 179.97 178.92 2yry s SER 11 N -6.11 6.53 1.01 7.04 1.04 -1.26 -5.03 113.70 116.92 2yry s SER 11 Ca -0.16 2.34 -0.14 0.00 0.48 0.00 0.00 55.95 58.46 2yry s SER 11 Cb 0.01 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.71 2yry s SER 11 CO 0.72 -0.67 1.14 -1.38 0.98 0.00 0.00 173.24 174.03 2yry s HIS 12 N -1.42 1.86 -0.18 5.02 -3.43 -1.26 -5.09 115.29 110.79 2yry s HIS 12 Ca 0.57 0.74 -0.10 0.00 -0.80 0.00 0.00 55.06 55.47 2yry s HIS 12 Cb -0.30 -3.45 0.06 0.00 -1.43 0.00 0.00 32.58 27.45 2yry s HIS 12 CO 0.38 -2.87 0.44 -1.54 -2.00 0.00 0.00 174.74 169.14 2yry s SER 13 N -3.95 -0.55 0.10 7.38 1.04 -1.26 -5.16 113.70 111.29 2yry s SER 13 Ca 0.67 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 2yry s SER 13 Cb -0.13 0.83 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 2yry s SER 13 CO 0.55 -0.19 0.29 -0.04 0.98 0.00 0.00 173.24 174.83 2yry s MET 14 N 1.35 3.53 0.37 4.02 -1.94 -1.26 -5.11 119.30 120.27 2yry s MET 14 Ca -0.09 -0.25 0.04 0.00 -1.71 0.00 0.00 55.69 53.67 2yry s MET 14 Cb -0.08 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 2yry s MET 14 CO -0.13 0.54 0.10 0.15 -0.01 0.00 0.00 175.02 175.68 2yry s LYS 15 N -2.54 1.81 -0.42 2.03 3.01 -1.26 -4.91 119.74 117.46 2yry s LYS 15 Ca 0.38 -2.07 0.02 0.00 -1.01 0.00 0.00 55.97 53.28 2yry s LYS 15 Cb -0.13 -0.66 0.13 0.00 -1.01 0.00 0.00 37.83 36.16 2yry s LYS 15 CO 0.26 -0.38 0.22 0.50 0.51 0.00 0.00 175.35 176.46 2yry s ARG 16 N -3.79 1.18 0.33 1.68 3.52 -1.26 -5.03 118.95 115.57 2yry s ARG 16 Ca 0.28 -1.87 -0.27 0.00 -0.13 0.00 0.00 55.73 53.75 2yry s ARG 16 Cb 0.05 -2.22 -0.13 0.00 -1.56 0.00 0.00 34.95 31.08 2yry s ARG 16 CO 0.15 -1.15 0.97 0.09 -0.81 0.00 0.00 175.30 174.55 2yry n ASN 17 N 3.71 1.11 -0.10 -2.12 3.02 -1.26 -4.91 115.26 114.71 2yry n ASN 17 Ca 0.08 1.13 -0.13 0.00 -0.03 0.00 0.00 54.58 55.62 2yry n ASN 17 Cb 0.35 -1.29 -0.04 0.00 -0.61 0.00 0.00 39.78 38.20 2yry n ASN 17 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2yry h PRO 18 N 1.79 0.78 -1.00 3.52 0.13 -2.03 -3.17 132.00 132.02 2yry h PRO 18 Ca -0.41 -0.41 0.02 0.00 -0.87 0.00 0.00 66.00 64.33 2yry h PRO 18 Cb 1.34 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 2yry h PRO 18 CO 0.59 1.04 0.66 -2.95 -0.23 0.00 0.00 178.00 177.11 2yry h ASN 19 N 0.55 1.12 -1.68 1.44 7.08 -2.07 -3.43 115.58 118.59 2yry h ASN 19 Ca 0.05 -0.02 -0.69 0.00 -3.08 0.00 0.00 56.30 52.56 2yry h ASN 19 Cb 0.89 -0.27 0.04 0.00 -2.08 0.00 0.00 38.32 36.91 2yry h ASN 19 CO 0.08 0.80 0.60 0.00 -2.08 0.00 0.00 177.43 176.83 2yry n ALA 20 N -2.37 -0.61 -2.04 4.14 0.00 -1.20 -4.88 120.51 113.54 2yry n ALA 20 Ca 0.12 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 2yry n ALA 20 Cb 0.04 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 2yry n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yry s PRO 21 N 1.39 4.38 -0.20 0.00 0.04 -1.26 -4.93 135.00 134.42 2yry s PRO 21 Ca 0.88 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.68 2yry s PRO 21 Cb -0.96 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2yry s PRO 21 CO 0.51 -0.28 1.81 0.08 0.04 0.00 0.00 177.00 179.17 2yry s VAL 22 N 0.28 3.43 0.02 -0.36 1.01 -1.26 -4.54 120.40 118.97 2yry s VAL 22 Ca 0.58 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 2yry s VAL 22 Cb -0.36 -3.46 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 2yry s VAL 22 CO 0.37 -0.21 1.19 0.74 0.00 0.00 0.00 175.10 177.19 2yry h THR 23 N 6.36 0.25 -1.98 3.92 2.02 -0.08 -3.47 112.91 119.93 2yry h THR 23 Ca -0.38 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2yry h THR 23 Cb 1.18 0.34 -0.21 0.00 -1.74 0.00 0.00 68.15 67.73 2yry h THR 23 CO 0.99 0.04 0.07 -0.75 0.37 0.00 0.00 175.52 176.24 2yry s LYS 24 N -4.79 0.74 0.04 6.66 2.20 -1.16 -4.98 119.74 118.45 2yry s LYS 24 Ca -0.14 1.13 0.04 0.00 -0.36 0.00 0.00 55.97 56.63 2yry s LYS 24 Cb 0.02 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2yry s LYS 24 CO 0.48 -0.13 -0.11 0.00 -0.36 0.00 0.00 175.35 175.23 2yry s ALA 25 N 1.18 0.90 0.00 3.13 0.00 -1.26 0.24 121.76 125.94 2yry s ALA 25 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2yry s ALA 25 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2yry s ALA 25 CO -0.12 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2yry n GLY 26 N 1.76 1.13 3.59 0.00 0.00 -0.53 -5.01 105.19 106.13 2yry n GLY 26 Ca -0.20 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2yry n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yry s TRP 27 N -2.00 2.04 0.53 1.61 0.52 -1.26 -2.21 118.94 118.17 2yry s TRP 27 Ca 0.00 0.63 0.02 0.00 0.02 0.00 0.00 56.10 56.78 2yry s TRP 27 Cb 0.00 -4.23 0.01 0.00 -1.15 0.00 0.00 33.47 28.10 2yry s TRP 27 CO 0.00 -2.36 0.15 -0.51 0.02 0.00 0.00 176.95 174.25 2yry s LEU 28 N 6.73 2.41 -0.08 2.99 1.43 -0.97 -4.83 118.68 126.37 2yry s LEU 28 Ca 0.67 -1.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 2yry s LEU 28 Cb -0.16 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.18 2yry s LEU 28 CO 0.29 -0.97 -0.21 -0.36 0.23 0.00 0.00 176.35 175.33 2yry s PHE 29 N -2.85 2.21 -0.49 0.29 0.40 -1.23 -1.53 117.98 114.78 2yry s PHE 29 Ca 0.15 -0.84 -0.07 0.00 -0.60 0.00 0.00 56.93 55.57 2yry s PHE 29 Cb -0.00 -1.50 0.13 0.00 0.51 0.00 0.00 43.02 42.16 2yry s PHE 29 CO 0.09 -0.34 0.34 0.21 0.70 0.00 0.00 175.22 176.22 2yry s LYS 30 N 0.32 2.41 0.19 0.44 2.20 -0.34 -2.42 119.74 122.54 2yry s LYS 30 Ca -0.15 -1.90 -0.20 0.00 -0.36 0.00 0.00 55.97 53.37 2yry s LYS 30 Cb -0.16 -3.84 -0.12 0.00 -1.51 0.00 0.00 37.83 32.20 2yry s LYS 30 CO 0.06 -1.17 0.30 0.94 -0.36 0.00 0.00 175.35 175.13 2yry n GLN 31 N 4.62 0.00 -2.17 4.03 7.27 -1.26 -3.43 117.38 126.44 2yry n GLN 31 Ca -0.04 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.77 2yry n GLN 31 Cb 0.41 -0.75 0.07 0.00 2.41 0.00 0.00 30.24 32.38 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry s ALA 32 N -0.89 3.11 0.10 1.69 0.00 -0.54 -4.86 121.76 120.37 2yry s ALA 32 Ca 0.47 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2yry s ALA 32 Cb -0.64 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2yry s ALA 32 CO 0.43 -1.32 0.00 0.43 0.00 0.00 0.00 175.76 175.30 2yry n SER 33 N -2.95 0.56 -4.95 0.00 7.64 -1.26 -4.83 113.62 107.84 2yry n SER 33 Ca 0.08 0.16 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2yry n SER 33 Cb 0.60 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.73 2yry n SER 33 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yry s SER 34 N -5.53 5.34 1.26 6.43 0.01 -1.26 -4.86 113.70 115.09 2yry s SER 34 Ca 0.00 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2yry s SER 34 Cb 0.00 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2yry s SER 34 CO 0.00 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2yry n GLY 35 N -2.48 2.56 3.66 3.44 0.00 -1.26 -4.78 105.19 106.33 2yry n GLY 35 Ca 0.06 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2yry n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yry s VAL 36 N 0.00 3.73 -0.65 1.61 -7.23 -1.26 -5.05 120.40 111.55 2yry s VAL 36 Ca 0.00 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 58.60 2yry s VAL 36 Cb 0.00 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 2yry s VAL 36 CO 0.00 -0.03 1.93 -0.54 -0.31 0.00 0.00 175.10 176.15 2yry s LYS 37 N -2.71 2.55 0.07 4.82 -0.14 -1.26 -4.80 119.74 118.27 2yry s LYS 37 Ca 0.26 0.53 -0.15 0.00 -1.36 0.00 0.00 55.97 55.25 2yry s LYS 37 Cb -0.10 -4.52 0.03 0.00 -1.68 0.00 0.00 37.83 31.55 2yry s LYS 37 CO 0.18 -2.92 0.35 1.14 -0.76 0.00 0.00 175.35 173.33 2yry s GLN 38 N 7.18 0.91 0.14 1.68 -2.07 -1.26 -5.04 119.66 121.20 2yry s GLN 38 Ca 0.71 -0.56 -0.06 0.00 -1.82 0.00 0.00 55.36 53.62 2yry s GLN 38 Cb -0.12 0.40 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 2yry s GLN 38 CO 0.17 -0.32 0.40 -1.58 -1.32 0.00 0.00 175.29 172.65 2yry s TRP 39 N -2.97 3.49 -0.20 9.60 0.52 -1.26 -1.46 118.94 126.65 2yry s TRP 39 Ca -0.02 0.65 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 2yry s TRP 39 Cb 0.00 -2.07 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 2yry s TRP 39 CO -0.06 0.43 -0.13 -0.80 0.02 0.00 0.00 176.95 176.41 2yry s ASN 40 N -2.28 3.67 -0.44 2.95 0.02 -1.22 -4.93 114.94 112.70 2yry s ASN 40 Ca 0.40 -0.55 -0.27 0.00 -1.02 0.00 0.00 52.86 51.42 2yry s ASN 40 Cb -0.12 -1.60 0.03 0.00 0.02 0.00 0.00 41.25 39.58 2yry s ASN 40 CO 0.23 -0.01 1.03 -0.75 0.02 0.00 0.00 177.10 177.62 2yry s LYS 41 N 1.37 3.71 0.12 -0.60 2.20 -1.26 -1.20 119.74 124.09 2yry s LYS 41 Ca 0.05 0.48 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 2yry s LYS 41 Cb -0.14 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 2yry s LYS 41 CO -0.09 -1.23 -0.08 1.03 -0.36 0.00 0.00 175.35 174.62 2yry s ARG 42 N 4.02 0.95 -0.25 4.03 1.81 -0.58 -5.01 118.95 123.92 2yry s ARG 42 Ca 0.43 -1.39 -0.29 0.00 -1.72 0.00 0.00 55.73 52.76 2yry s ARG 42 Cb -0.09 -0.43 0.00 0.00 -0.45 0.00 0.00 34.95 33.98 2yry s ARG 42 CO 0.27 0.03 1.14 -0.46 -0.68 0.00 0.00 175.30 175.60 2yry s TRP 43 N -3.44 3.08 -0.09 -0.53 -0.00 -0.85 -2.29 118.94 114.82 2yry s TRP 43 Ca 0.14 1.21 -0.04 0.00 -0.00 0.00 0.00 56.10 57.41 2yry s TRP 43 Cb 0.04 -3.52 -0.04 0.00 -0.00 0.00 0.00 33.47 29.95 2yry s TRP 43 CO -0.02 -1.02 0.09 -0.06 -0.00 0.00 0.00 176.95 175.94 2yry s PHE 44 N 3.55 3.42 -0.06 5.86 0.40 -0.94 0.21 117.98 130.41 2yry s PHE 44 Ca 0.49 0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 57.16 2yry s PHE 44 Cb -0.16 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.55 2yry s PHE 44 CO 0.13 0.62 0.13 0.08 0.70 0.00 0.00 175.22 176.88 2yry s VAL 45 N -1.02 -0.07 -0.34 -0.44 1.01 0.71 -1.45 120.40 118.79 2yry s VAL 45 Ca 0.16 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 2yry s VAL 45 Cb -0.12 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.04 2yry s VAL 45 CO 0.06 0.08 0.19 -0.22 0.00 0.00 0.00 175.10 175.21 2yry s LEU 46 N 1.28 4.45 -0.07 3.92 2.96 0.14 0.01 118.68 131.36 2yry s LEU 46 Ca -0.08 -0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 53.07 2yry s LEU 46 Cb -0.12 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2yry s LEU 46 CO -0.06 -0.29 0.17 -0.69 -1.32 0.00 0.00 176.35 174.17 2yry s VAL 47 N 1.61 -0.02 -1.13 1.68 1.01 -0.03 0.72 120.40 124.24 2yry s VAL 47 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2yry s VAL 47 Cb -0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2yry s VAL 47 CO 0.07 0.03 0.96 -0.67 0.00 0.00 0.00 175.10 175.49 2yry n ASP 48 N 3.48 -4.21 -2.20 3.32 2.03 -1.26 -1.85 116.55 115.85 2yry n ASP 48 Ca -0.18 -0.67 -0.04 0.00 0.52 0.00 0.00 54.79 54.42 2yry n ASP 48 Cb 0.56 -5.15 -0.01 0.00 -0.72 0.00 0.00 41.12 35.81 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2yry n ARG 49 N -3.71 -2.38 -4.12 -0.67 1.74 -1.26 -4.88 116.66 101.38 2yry n ARG 49 Ca -0.19 0.23 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 2yry n ARG 49 Cb 0.65 -4.67 -0.11 0.00 -1.02 0.00 0.00 32.46 27.31 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yry s LEU 51 N -2.03 3.86 -0.11 0.00 0.20 -0.95 -0.85 118.68 118.81 2yry s LEU 51 Ca -0.02 0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.94 2yry s LEU 51 Cb -0.06 -1.96 0.03 0.00 -0.43 0.00 0.00 46.19 43.77 2yry s LEU 51 CO -0.00 0.23 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.88 2yry s PHE 52 N 0.02 1.24 -0.29 5.38 0.08 0.10 -1.69 117.98 122.82 2yry s PHE 52 Ca 0.06 -0.59 -0.08 0.00 0.12 0.00 0.00 56.93 56.43 2yry s PHE 52 Cb -0.12 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.22 2yry s PHE 52 CO 0.01 -0.47 0.12 1.52 -0.10 0.00 0.00 175.22 176.30 2yry s TYR 53 N 1.79 3.15 -0.17 0.36 -0.85 -1.23 -0.21 117.35 120.19 2yry s TYR 53 Ca 0.05 -0.63 -0.07 0.00 -0.52 0.00 0.00 57.07 55.89 2yry s TYR 53 Cb -0.13 -2.30 -0.04 0.00 0.38 0.00 0.00 41.96 39.87 2yry s TYR 53 CO -0.07 -0.46 0.08 0.71 -1.52 0.00 0.00 175.55 174.29 2yry s TYR 54 N 1.59 3.32 0.31 -3.49 1.51 0.13 -3.85 117.35 116.88 2yry s TYR 54 Ca 0.04 0.20 0.16 0.00 -1.01 0.00 0.00 57.07 56.47 2yry s TYR 54 Cb -0.17 -2.05 1.11 0.00 -0.11 0.00 0.00 41.96 40.74 2yry s TYR 54 CO 0.05 0.29 1.34 0.36 -1.11 0.00 0.00 175.55 176.49 2yry n LYS 55 N 3.18 -0.05 -3.57 -0.62 -0.00 -1.26 -2.01 118.16 113.83 2yry n LYS 55 Ca -0.17 1.18 -0.13 0.00 -0.00 0.00 0.00 58.31 59.19 2yry n LYS 55 Cb 0.53 -2.10 -0.04 0.00 -0.00 0.00 0.00 35.03 33.41 2yry n LYS 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2yry n ASP 56 N -4.95 -0.79 -0.07 -5.58 8.00 -1.26 -4.31 116.55 107.58 2yry n ASP 56 Ca 0.31 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 53.24 2yry n ASP 56 Cb 1.06 1.62 0.00 0.00 -0.02 0.00 0.00 41.12 43.78 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2yry n GLU 57 N -0.47 1.01 0.20 -1.24 0.00 -1.26 -3.32 120.64 115.56 2yry n GLU 57 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.30 2yry n GLU 57 Cb 0.46 -1.07 0.16 0.00 0.00 0.00 0.00 31.44 30.99 2yry n GLU 57 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2yry h LYS 58 N 0.02 0.00 -6.49 3.44 1.57 -1.95 -3.47 116.57 109.69 2yry h LYS 58 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2yry h LYS 58 Cb 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 2yry h LYS 58 CO 0.00 0.00 -0.86 0.39 -0.57 0.00 0.00 179.45 178.41 2yry n GLU 59 N -3.00 -3.60 0.08 3.15 1.02 -1.21 -4.89 120.64 112.19 2yry n GLU 59 Ca 0.04 0.43 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 2yry n GLU 59 Cb 0.53 -4.77 -0.07 0.00 -0.02 0.00 0.00 31.44 27.10 2yry n GLU 59 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2yry h GLU 60 N -1.80 -0.26 -2.64 3.49 5.08 -1.92 -3.47 114.58 113.06 2yry h GLU 60 Ca -0.62 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 57.65 2yry h GLU 60 Cb 1.38 0.06 -0.24 0.00 0.50 0.00 0.00 28.75 30.44 2yry h GLU 60 CO 0.65 0.12 -0.21 -1.12 -1.00 0.00 0.00 179.01 177.46 2yry s SER 61 N -5.37 -0.48 -0.16 1.42 0.01 -1.26 -5.13 113.70 102.73 2yry s SER 61 Ca -0.12 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.76 2yry s SER 61 Cb 0.01 0.90 -0.03 0.00 0.21 0.00 0.00 66.02 67.10 2yry s SER 61 CO 0.45 -0.16 1.54 -0.63 0.41 0.00 0.00 173.24 174.85 2yry s ILE 62 N 0.44 3.80 0.12 1.44 1.01 -1.26 -4.71 121.20 122.05 2yry s ILE 62 Ca -0.02 0.94 -0.08 0.00 0.00 0.00 0.00 60.65 61.49 2yry s ILE 62 Cb -0.04 -3.71 -0.16 0.00 0.01 0.00 0.00 42.46 38.56 2yry s ILE 62 CO -0.02 -0.20 1.32 -0.07 0.00 0.00 0.00 174.94 175.98 2yry h LEU 63 N 10.79 0.73 -7.00 2.97 3.38 -1.99 -3.47 115.31 120.73 2yry h LEU 63 Ca -0.33 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.17 2yry h LEU 63 Cb 1.15 -0.22 -0.24 0.00 0.09 0.00 0.00 40.66 41.44 2yry h LEU 63 CO 0.98 1.30 0.44 -0.83 0.09 0.00 0.00 178.44 180.42 2yry s GLY 64 N -4.26 -0.25 -0.06 0.83 0.00 -1.26 -5.10 107.32 97.22 2yry s GLY 64 Ca -0.08 2.32 0.04 0.00 0.00 0.00 0.00 44.72 47.00 2yry s GLY 64 CO 0.88 1.51 -0.18 -0.56 0.00 0.00 0.00 173.10 174.75 2yry s SER 65 N -0.29 3.65 -0.23 1.64 0.01 -1.26 -3.58 113.70 113.65 2yry s SER 65 Ca 0.00 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2yry s SER 65 Cb -0.03 -0.86 0.04 0.00 0.21 0.00 0.00 66.02 65.38 2yry s SER 65 CO -0.02 0.30 -0.14 -0.63 0.41 0.00 0.00 173.24 173.16 2yry s ILE 66 N -0.44 2.21 -0.71 1.44 1.01 -0.68 -4.99 121.20 119.03 2yry s ILE 66 Ca 0.05 -1.29 -0.26 0.00 0.00 0.00 0.00 60.65 59.15 2yry s ILE 66 Cb -0.12 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2yry s ILE 66 CO 0.02 0.22 1.90 -2.16 0.00 0.00 0.00 174.94 174.92 2yry s PRO 67 N 1.20 2.60 0.44 2.79 0.04 -1.26 -2.25 135.00 138.56 2yry s PRO 67 Ca -0.02 0.30 0.27 0.00 0.04 0.00 0.00 61.00 61.58 2yry s PRO 67 Cb -0.17 -4.63 0.77 0.00 0.04 0.00 0.00 34.50 30.52 2yry s PRO 67 CO -0.08 -2.97 1.76 -0.07 0.04 0.00 0.00 177.00 175.68 2yry h LEU 68 N 16.97 0.00 0.00 -3.56 3.38 -1.92 -3.11 115.31 127.07 2yry h LEU 68 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2yry h LEU 68 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2yry h LEU 68 CO 1.21 0.00 0.01 0.00 0.09 0.00 0.00 178.44 179.75 2yry n LEU 69 N -2.94 0.00 -2.23 1.67 -0.00 -1.24 -1.26 117.00 110.99 2yry n LEU 69 Ca 0.03 0.46 -0.10 0.00 -0.00 0.00 0.00 56.01 56.40 2yry n LEU 69 Cb 0.42 -0.46 0.05 0.00 -0.00 0.00 0.00 43.42 43.43 2yry n LEU 69 CO 0.30 -0.46 0.11 -1.54 -0.00 0.00 0.00 177.39 175.80 2yry n SER 70 N -1.46 3.07 -4.10 1.45 3.41 -1.17 -3.91 113.62 110.90 2yry n SER 70 Ca 0.00 -2.93 -0.08 0.00 -0.26 0.00 0.00 58.87 55.60 2yry n SER 70 Cb 0.01 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2yry s PHE 71 N -3.44 0.62 -0.55 7.33 0.40 -0.39 -4.61 117.98 117.34 2yry s PHE 71 Ca 0.39 -1.11 0.04 0.00 -0.60 0.00 0.00 56.93 55.65 2yry s PHE 71 Cb 0.37 -0.41 0.14 0.00 0.51 0.00 0.00 43.02 43.63 2yry s PHE 71 CO -0.01 -0.43 0.31 0.50 0.70 0.00 0.00 175.22 176.28 2yry s ARG 72 N -3.96 1.99 0.42 0.44 3.52 -0.97 -4.53 118.95 115.86 2yry s ARG 72 Ca 0.13 -2.70 -0.25 0.00 -0.13 0.00 0.00 55.73 52.77 2yry s ARG 72 Cb 0.08 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.18 2yry s ARG 72 CO -0.06 -1.15 1.30 0.08 -0.81 0.00 0.00 175.30 174.65 2yry s VAL 73 N -0.46 2.60 -0.29 7.11 1.01 -1.26 -3.82 120.40 125.29 2yry s VAL 73 Ca 0.19 0.52 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 2yry s VAL 73 Cb -0.21 -3.30 0.16 0.00 0.00 0.00 0.00 36.38 33.03 2yry s VAL 73 CO -0.04 0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.21 2yry s ALA 74 N -1.29 -2.30 0.83 5.51 0.00 -1.19 -4.85 121.76 118.46 2yry s ALA 74 Ca 0.59 2.07 -0.17 0.00 0.00 0.00 0.00 51.96 54.44 2yry s ALA 74 Cb -0.38 -1.73 -0.14 0.00 0.00 0.00 0.00 23.12 20.88 2yry s ALA 74 CO 0.48 -0.30 -0.49 0.00 0.00 0.00 0.00 175.76 175.45 2yry n ALA 75 N 3.18 -4.45 -1.25 0.00 0.00 -1.26 -2.93 120.51 113.79 2yry n ALA 75 Ca -0.17 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.52 2yry n ALA 75 Cb 0.57 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.87 2yry n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2yry s VAL 76 N -2.01 2.66 0.26 0.00 -7.23 -0.75 -4.70 120.40 108.63 2yry s VAL 76 Ca 0.47 0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.93 2yry s VAL 76 Cb -0.29 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2yry s VAL 76 CO 0.76 -0.28 0.15 -1.10 -0.31 0.00 0.00 175.10 174.32 2yry s GLN 77 N -4.97 2.74 0.16 4.82 -0.21 -1.26 -5.01 119.66 115.93 2yry s GLN 77 Ca 0.63 -1.17 0.20 0.00 0.02 0.00 0.00 55.36 55.04 2yry s GLN 77 Cb -0.17 -2.45 0.84 0.00 1.00 0.00 0.00 33.01 32.23 2yry s GLN 77 CO 0.57 0.37 1.61 -0.35 -2.12 0.00 0.00 175.29 175.36 2yry n PRO 78 N -1.12 0.12 0.00 2.91 -0.04 -1.26 -2.03 135.00 133.58 2yry n PRO 78 Ca -0.07 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2yry n PRO 78 Cb 0.58 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 2yry n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yry n SER 79 N -1.96 0.81 -4.65 3.54 3.41 -1.26 -4.96 113.62 108.55 2yry n SER 79 Ca 0.03 -0.72 -0.30 0.00 -0.26 0.00 0.00 58.87 57.62 2yry n SER 79 Cb 0.20 0.80 0.17 0.00 -0.26 0.00 0.00 64.21 65.12 2yry n SER 79 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2yry s ASP 80 N -3.09 2.73 -0.46 4.04 -1.08 -0.86 -4.92 116.67 113.03 2yry s ASP 80 Ca 0.08 1.68 0.01 0.00 -0.52 0.00 0.00 52.55 53.80 2yry s ASP 80 Cb 0.16 -2.31 0.45 0.00 -1.46 0.00 0.00 42.92 39.76 2yry s ASP 80 CO 0.82 -3.13 1.90 -3.20 0.52 0.00 0.00 175.17 172.07 2yry n ASN 81 N -4.22 5.52 -4.72 -0.34 5.15 -1.26 -4.92 115.26 110.46 2yry n ASN 81 Ca 0.07 -3.42 -0.35 0.00 -0.60 0.00 0.00 54.58 50.28 2yry n ASN 81 Cb 0.54 -0.90 -0.08 0.00 -0.53 0.00 0.00 39.78 38.81 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2yry s ILE 82 N -3.32 5.39 -0.40 -1.44 -1.09 -1.26 -4.98 121.20 114.10 2yry s ILE 82 Ca 0.50 0.22 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 2yry s ILE 82 Cb 0.40 -3.49 0.44 0.00 -1.58 0.00 0.00 42.46 38.23 2yry s ILE 82 CO 0.04 0.42 1.82 -1.54 -1.23 0.00 0.00 174.94 174.46 2yry n SER 83 N 3.61 4.94 -4.34 3.58 3.41 -1.26 -4.91 113.62 118.64 2yry n SER 83 Ca -0.15 -3.30 -0.29 0.00 -0.26 0.00 0.00 58.87 54.86 2yry n SER 83 Cb 0.52 -0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 2yry n SER 83 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2yry s ARG 84 N -2.64 2.07 0.00 4.33 0.52 -1.26 -5.12 118.95 116.85 2yry s ARG 84 Ca 0.45 -2.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 2yry s ARG 84 Cb 0.37 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.89 2yry s ARG 84 CO 0.05 -0.47 0.00 1.63 0.02 0.00 0.00 175.30 176.53 2yry n LYS 85 N -1.08 0.00 -2.52 3.54 4.76 -1.26 -4.86 118.16 116.73 2yry n LYS 85 Ca -0.12 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.91 2yry n LYS 85 Cb 0.66 -0.14 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 2yry n LYS 85 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2yry s HIS 86 N -0.60 2.63 0.11 2.13 0.09 -1.26 -4.87 115.29 113.53 2yry s HIS 86 Ca 0.00 -1.23 0.05 0.00 -0.00 0.00 0.00 55.06 53.88 2yry s HIS 86 Cb 0.00 -4.67 -0.04 0.00 -0.00 0.00 0.00 32.58 27.88 2yry s HIS 86 CO 0.00 -1.79 -0.12 0.99 -0.00 0.00 0.00 174.74 173.83 2yry s THR 87 N 5.10 1.12 -0.09 1.30 2.01 -1.26 -1.17 115.64 122.64 2yry s THR 87 Ca 0.54 -1.73 -0.05 0.00 0.31 0.00 0.00 61.69 60.76 2yry s THR 87 Cb 0.02 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.08 2yry s THR 87 CO 0.04 -0.54 0.22 0.72 -0.69 0.00 0.00 174.62 174.38 2yry s PHE 88 N -2.46 -0.28 -0.09 4.92 -0.71 0.88 -1.81 117.98 118.42 2yry s PHE 88 Ca 0.08 0.69 0.03 0.00 -1.04 0.00 0.00 56.93 56.70 2yry s PHE 88 Cb -0.03 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2yry s PHE 88 CO 0.01 -0.21 -0.20 -1.59 -1.34 0.00 0.00 175.22 171.90 2yry s LYS 89 N 1.13 2.98 -0.30 1.99 -2.85 -1.15 -0.24 119.74 121.30 2yry s LYS 89 Ca -0.08 -0.81 -0.07 0.00 -1.00 0.00 0.00 55.97 54.01 2yry s LYS 89 Cb -0.10 -2.38 0.01 0.00 -2.06 0.00 0.00 37.83 33.30 2yry s LYS 89 CO -0.07 0.28 0.09 0.00 0.10 0.00 0.00 175.35 175.76 2yry s ALA 90 N 0.12 3.10 0.10 0.59 0.00 -0.70 -3.18 121.76 121.79 2yry s ALA 90 Ca -0.10 -1.45 0.08 0.00 0.00 0.00 0.00 51.96 50.50 2yry s ALA 90 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2yry s ALA 90 CO 0.06 -0.93 -0.21 -1.83 0.00 0.00 0.00 175.76 172.84 2yry s GLU 91 N 1.52 1.16 -0.49 0.00 1.03 -1.25 -0.24 118.70 120.43 2yry s GLU 91 Ca 0.03 -1.16 0.03 0.00 0.03 0.00 0.00 54.97 53.89 2yry s GLU 91 Cb -0.17 -1.44 0.15 0.00 -0.80 0.00 0.00 34.13 31.86 2yry s GLU 91 CO 0.03 0.34 0.30 -1.58 -1.33 0.00 0.00 175.26 173.02 2yry s HIS 92 N -1.13 2.27 -0.58 4.83 2.46 -0.91 -2.30 115.29 119.94 2yry s HIS 92 Ca 0.07 -2.65 -0.09 0.00 0.47 0.00 0.00 55.06 52.86 2yry s HIS 92 Cb -0.10 -1.99 -0.18 0.00 -0.13 0.00 0.00 32.58 30.18 2yry s HIS 92 CO 0.04 -0.74 1.33 0.00 -2.47 0.00 0.00 174.74 172.91 2yry n ALA 93 N 3.11 0.51 0.00 1.58 0.00 -1.26 0.69 120.51 125.13 2yry n ALA 93 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2yry n ALA 93 Cb 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2yry n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yry n GLY 94 N 3.34 0.13 0.43 0.00 0.00 -1.26 -5.02 105.19 102.81 2yry n GLY 94 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2yry n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 95 N 0.00 0.00 -3.61 1.61 0.31 0.22 -5.18 118.33 111.68 2yry n VAL 95 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2yry n VAL 95 Cb 0.00 -0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 32.65 2yry n VAL 95 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2yry s ARG 96 N -0.27 0.25 -0.05 5.55 3.52 -1.25 -5.00 118.95 121.69 2yry s ARG 96 Ca 0.00 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 2yry s ARG 96 Cb 0.00 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 2yry s ARG 96 CO 0.00 -0.11 -0.10 0.99 -0.81 0.00 0.00 175.30 175.27 2yry s THR 97 N -2.29 3.40 0.37 4.11 2.01 -1.26 -2.13 115.64 119.83 2yry s THR 97 Ca 0.12 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.57 2yry s THR 97 Cb 0.03 -2.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.09 2yry s THR 97 CO -0.04 0.58 0.01 -0.31 -0.69 0.00 0.00 174.62 174.16 2yry s TYR 98 N -0.79 2.29 0.01 4.92 1.51 0.67 -4.95 117.35 121.01 2yry s TYR 98 Ca 0.12 -0.74 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 2yry s TYR 98 Cb -0.11 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2yry s TYR 98 CO 0.01 0.32 0.02 -0.06 -1.11 0.00 0.00 175.55 174.74 2yry s PHE 99 N -2.90 0.18 -0.24 2.71 0.40 -1.26 -1.72 117.98 115.15 2yry s PHE 99 Ca 0.35 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.20 2yry s PHE 99 Cb 0.08 -0.14 0.10 0.00 0.51 0.00 0.00 43.02 43.57 2yry s PHE 99 CO 0.17 -0.21 0.54 -0.06 0.70 0.00 0.00 175.22 176.36 2yry s PHE 100 N -1.34 -1.00 0.42 0.36 0.08 0.66 -4.07 117.98 113.09 2yry s PHE 100 Ca -0.15 1.87 0.07 0.00 0.12 0.00 0.00 56.93 58.84 2yry s PHE 100 Cb -0.09 0.53 0.01 0.00 -0.57 0.00 0.00 43.02 42.90 2yry s PHE 100 CO -0.00 -0.53 0.58 0.45 -0.10 0.00 0.00 175.22 175.62 2yry s SER 101 N 2.32 5.68 -0.03 1.36 0.15 -1.02 -0.08 113.70 122.09 2yry s SER 101 Ca -0.06 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.27 2yry s SER 101 Cb -0.10 -0.83 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 2yry s SER 101 CO -0.16 -0.74 0.08 0.00 1.20 0.00 0.00 173.24 173.62 2yry s ALA 102 N -2.37 -0.18 0.18 5.45 0.00 -0.32 -3.54 121.76 120.97 2yry s ALA 102 Ca 0.53 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 2yry s ALA 102 Cb -0.10 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 22.96 2yry s ALA 102 CO 0.33 -0.05 1.83 0.93 0.00 0.00 0.00 175.76 178.81 2yry h GLU 103 N 6.16 0.68 -6.65 0.00 5.08 -1.88 -3.43 114.58 114.54 2yry h GLU 103 Ca -0.27 -0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.39 2yry h GLU 103 Cb 1.20 -0.15 -0.19 0.00 0.50 0.00 0.00 28.75 30.11 2yry h GLU 103 CO 0.46 0.45 -0.82 -1.12 -1.00 0.00 0.00 179.01 176.98 2yry s SER 104 N -5.65 3.57 0.51 1.42 0.01 -1.26 -5.01 113.70 107.29 2yry s SER 104 Ca -0.13 -0.78 0.30 0.00 1.31 0.00 0.00 55.95 56.65 2yry s SER 104 Cb 0.13 -0.34 1.25 0.00 0.21 0.00 0.00 66.02 67.27 2yry s SER 104 CO 0.74 0.13 1.95 1.55 0.41 0.00 0.00 173.24 178.03 2yry h PRO 105 N 3.33 0.00 -0.01 12.44 0.13 -1.93 -2.80 132.00 143.16 2yry h PRO 105 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 2yry h PRO 105 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2yry h PRO 105 CO 0.47 0.09 -0.64 0.93 -0.23 0.00 0.00 178.00 178.62 2yry h GLU 106 N 0.00 0.03 0.10 0.86 5.08 -1.98 -3.13 114.58 115.55 2yry h GLU 106 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2yry h GLU 106 Cb 0.56 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.83 2yry h GLU 106 CO 0.01 0.66 -0.73 0.93 -1.00 0.00 0.00 179.01 178.89 2yry h GLU 107 N 0.02 0.32 0.02 2.33 3.07 -1.92 -3.04 114.58 115.39 2yry h GLU 107 Ca -0.01 -0.48 0.01 0.00 -0.50 0.00 0.00 59.36 58.39 2yry h GLU 107 Cb 1.14 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 2yry h GLU 107 CO 0.09 1.19 -0.29 0.37 -1.40 0.00 0.00 179.01 178.97 2yry h GLN 108 N -0.32 -0.36 -0.47 2.33 4.15 -1.56 0.32 115.11 119.20 2yry h GLN 108 Ca -0.12 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.42 2yry h GLN 108 Cb 1.53 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 29.22 2yry h GLN 108 CO 0.14 -0.24 -0.00 1.05 -1.93 0.00 0.00 178.83 177.84 2yry h GLU 109 N -0.38 0.11 -0.74 1.69 4.11 -1.71 -1.01 114.58 116.65 2yry h GLU 109 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.52 2yry h GLU 109 Cb 0.40 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2yry h GLU 109 CO -0.18 0.07 0.37 0.00 0.07 0.00 0.00 179.01 179.34 2yry h ALA 110 N 1.42 1.03 -0.68 1.06 0.00 -1.32 -1.38 119.26 119.38 2yry h ALA 110 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2yry h ALA 110 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2yry h ALA 110 CO -0.39 -0.03 0.43 -1.49 0.00 0.00 0.00 179.25 177.77 2yry h TRP 111 N 0.62 0.87 -0.42 0.00 4.06 0.90 -2.20 115.95 119.79 2yry h TRP 111 Ca 0.36 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.29 2yry h TRP 111 Cb 0.39 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 2yry h TRP 111 CO -0.10 0.57 0.13 0.82 -3.56 0.00 0.00 178.44 176.30 2yry h ILE 112 N 0.92 1.18 -0.91 1.49 2.04 -0.45 0.24 117.51 122.02 2yry h ILE 112 Ca 0.25 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2yry h ILE 112 Cb -0.07 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 2yry h ILE 112 CO -0.05 0.22 0.60 1.56 0.00 0.00 0.00 178.15 180.48 2yry h GLN 113 N 0.60 1.19 0.19 2.37 4.20 -0.67 1.12 115.11 124.12 2yry h GLN 113 Ca 0.14 -0.07 -0.31 0.00 0.06 0.00 0.00 58.65 58.47 2yry h GLN 113 Cb 0.18 -0.27 0.02 0.00 0.30 0.00 0.00 27.48 27.71 2yry h GLN 113 CO -0.01 0.78 -1.48 0.00 -0.67 0.00 0.00 178.83 177.46 2yry h ALA 114 N 1.34 0.02 0.25 3.87 0.00 -1.27 -3.25 119.26 120.22 2yry h ALA 114 Ca 0.33 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2yry h ALA 114 Cb -0.13 0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2yry h ALA 114 CO -0.08 0.79 -0.12 0.52 0.00 0.00 0.00 179.25 180.36 2yry h MET 115 N -0.02 -0.33 -1.00 0.00 2.86 -0.41 -1.15 114.93 114.89 2yry h MET 115 Ca -0.28 0.02 0.35 0.00 -2.06 0.00 0.00 59.70 57.73 2yry h MET 115 Cb 2.01 0.07 -0.16 0.00 0.06 0.00 0.00 31.60 33.58 2yry h MET 115 CO 0.19 -0.22 0.55 0.78 1.06 0.00 0.00 176.91 179.27 2yry h GLY 116 N -0.84 2.11 0.16 8.32 0.00 0.11 0.71 103.07 113.64 2yry h GLY 116 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2yry h GLY 116 CO 0.06 -0.58 -0.07 0.83 0.00 0.00 0.00 176.54 176.77 2yry h GLU 117 N 0.23 -0.20 0.00 4.80 4.39 -1.63 -3.02 114.58 119.15 2yry h GLU 117 Ca 0.76 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.48 2yry h GLU 117 Cb 1.82 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 2yry h GLU 117 CO -0.66 -0.13 0.32 0.00 -1.16 0.00 0.00 179.01 177.38 2yry h ALA 118 N -1.37 1.30 0.10 3.43 0.00 -0.56 0.30 119.26 122.47 2yry h ALA 118 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2yry h ALA 118 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2yry h ALA 118 CO 0.03 -0.30 -1.19 0.00 0.00 0.00 0.00 179.25 177.80 2yry h ALA 119 N 1.31 0.15 -1.71 0.00 0.00 0.38 -3.36 119.26 116.03 2yry h ALA 119 Ca 0.00 -0.87 -0.62 0.00 0.00 0.00 0.00 54.91 53.42 2yry h ALA 119 Cb 0.65 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 18.55 2yry h ALA 119 CO 0.00 0.98 -0.27 0.54 0.00 0.00 0.00 179.25 180.51 2yry n ARG 120 N -3.54 0.67 -0.05 0.00 1.74 0.11 -3.42 116.66 112.17 2yry n ARG 120 Ca -0.07 0.24 0.06 0.00 -0.77 0.00 0.00 57.85 57.30 2yry n ARG 120 Cb 1.00 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 31.05 2yry n ARG 120 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2yry n VAL 121 N -0.24 1.47 0.10 1.55 3.14 -1.25 -4.85 118.33 118.24 2yry n VAL 121 Ca 0.13 -1.69 0.01 0.00 -2.96 0.00 0.00 64.34 59.83 2yry n VAL 121 Cb 0.33 0.08 0.05 0.00 -1.06 0.00 0.00 33.84 33.24 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04