#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 3.69 0.00 1.61 0.01 -1.26 -5.16 113.70 112.60 2eef s SER 2 Ca 0.00 -1.39 0.06 0.00 1.31 0.00 0.00 55.95 55.94 2eef s SER 2 Cb 0.00 -0.31 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2eef s SER 2 CO 0.00 -0.49 -0.19 -0.55 0.41 0.00 0.00 173.24 172.42 2eef s SER 3 N -3.69 2.26 0.05 2.44 0.15 -1.26 -5.14 113.70 108.51 2eef s SER 3 Ca 0.34 -0.39 -0.28 0.00 0.70 0.00 0.00 55.95 56.32 2eef s SER 3 Cb 0.09 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.26 2eef s SER 3 CO 0.17 0.20 0.98 -0.83 1.20 0.00 0.00 173.24 174.96 2eef s GLY 4 N -0.66 -0.35 0.12 9.45 0.00 -1.26 -5.18 107.32 109.43 2eef s GLY 4 Ca 0.07 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.49 2eef s GLY 4 CO 0.00 0.19 -0.12 -0.56 0.00 0.00 0.00 173.10 172.61 2eef s SER 5 N -2.70 1.73 0.50 1.64 0.01 -1.26 -5.16 113.70 108.45 2eef s SER 5 Ca 0.09 -0.86 0.07 0.00 1.31 0.00 0.00 55.95 56.56 2eef s SER 5 Cb -0.01 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.24 2eef s SER 5 CO -0.04 -0.23 0.68 -0.94 0.41 0.00 0.00 173.24 173.12 2eef s SER 6 N -2.61 5.38 0.00 2.44 1.04 -1.26 -5.07 113.70 113.62 2eef s SER 6 Ca 0.09 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2eef s SER 6 Cb -0.02 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.67 2eef s SER 6 CO 0.01 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2eef n GLY 7 N -2.08 -0.07 3.14 7.32 0.00 -1.26 -5.08 105.19 107.16 2eef n GLY 7 Ca 0.10 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N -1.00 2.86 -0.85 4.61 0.00 -1.26 -5.03 121.76 121.09 2eef s ALA 8 Ca 0.00 -1.99 -0.27 0.00 0.00 0.00 0.00 51.96 49.70 2eef s ALA 8 Cb 0.00 -2.00 -0.19 0.00 0.00 0.00 0.00 23.12 20.93 2eef s ALA 8 CO 0.00 -1.41 2.32 0.39 0.00 0.00 0.00 175.76 177.07 2eef n GLU 9 N 4.56 0.00 -2.55 0.00 -0.58 -1.26 -4.87 120.64 115.95 2eef n GLU 9 Ca -0.09 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.39 2eef n GLU 9 Cb 0.43 -1.30 0.03 0.00 -0.57 0.00 0.00 31.44 30.02 2eef n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2eef s SER 10 N 7.70 5.56 0.94 1.62 1.04 -1.26 -5.05 113.70 124.25 2eef s SER 10 Ca 1.18 0.52 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 2eef s SER 10 Cb -1.10 -1.54 0.09 0.00 0.10 0.00 0.00 66.02 63.56 2eef s SER 10 CO 0.43 -1.03 0.73 -0.62 0.98 0.00 0.00 173.24 173.73 2eef n GLU 11 N -2.47 -0.42 -4.11 4.02 -0.58 -1.26 -4.97 120.64 110.86 2eef n GLU 11 Ca 0.04 -0.07 -0.27 0.00 -0.42 0.00 0.00 57.16 56.44 2eef n GLU 11 Cb 0.58 -2.08 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 2eef n GLU 11 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2eef s SER 12 N -2.29 4.50 0.37 1.62 0.01 -1.26 -4.82 113.70 111.84 2eef s SER 12 Ca 0.61 -1.29 0.08 0.00 1.31 0.00 0.00 55.95 56.66 2eef s SER 12 Cb -0.22 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 2eef s SER 12 CO 0.63 -0.94 0.08 -0.36 0.41 0.00 0.00 173.24 173.06 2eef s PHE 13 N -2.76 2.58 0.30 2.43 0.40 -1.26 -2.26 117.98 117.42 2eef s PHE 13 Ca 0.29 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2eef s PHE 13 Cb -0.00 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2eef s PHE 13 CO 0.18 0.37 0.12 0.14 0.70 0.00 0.00 175.22 176.73 2eef s VAL 14 N -2.55 0.56 -0.14 -0.44 -7.23 0.25 -4.61 120.40 106.23 2eef s VAL 14 Ca 0.37 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.48 2eef s VAL 14 Cb 0.02 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2eef s VAL 14 CO 0.20 0.00 0.07 -0.76 -0.31 0.00 0.00 175.10 174.31 2eef s LEU 15 N -3.39 3.94 -0.34 1.32 1.43 -1.26 -2.49 118.68 117.89 2eef s LEU 15 Ca 0.35 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2eef s LEU 15 Cb 0.06 -1.96 0.48 0.00 0.03 0.00 0.00 46.19 44.80 2eef s LEU 15 CO 0.15 0.30 1.69 -0.67 0.23 0.00 0.00 176.35 178.06 2eef n ASP 16 N 2.67 3.77 -3.72 2.29 -0.08 -1.22 -4.86 116.55 115.40 2eef n ASP 16 Ca -0.18 -3.19 -0.13 0.00 -1.51 0.00 0.00 54.79 49.78 2eef n ASP 16 Cb 0.53 -0.76 -0.10 0.00 2.34 0.00 0.00 41.12 43.13 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2eef s PHE 17 N -2.42 -0.49 0.63 -0.67 -0.12 -1.26 -4.97 117.98 108.68 2eef s PHE 17 Ca 0.42 1.19 -0.15 0.00 -0.05 0.00 0.00 56.93 58.33 2eef s PHE 17 Cb 0.35 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 2eef s PHE 17 CO 0.07 -0.23 1.08 -1.54 -0.05 0.00 0.00 175.22 174.55 2eef s SER 18 N 0.23 5.46 0.29 1.98 1.04 -1.26 -4.96 113.70 116.49 2eef s SER 18 Ca -0.00 1.90 -0.30 0.00 0.48 0.00 0.00 55.95 58.04 2eef s SER 18 Cb -0.03 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.42 2eef s SER 18 CO 0.01 -1.39 1.39 0.00 0.98 0.00 0.00 173.24 174.23 2eef n GLN 19 N -2.22 2.20 -0.06 4.02 1.13 -1.26 -4.92 117.38 116.27 2eef n GLN 19 Ca 0.09 0.78 -0.13 0.00 -1.94 0.00 0.00 57.00 55.80 2eef n GLN 19 Cb 0.52 -2.43 -0.07 0.00 0.11 0.00 0.00 30.24 28.38 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 3.59 0.40 -1.00 -1.09 0.13 -1.81 -3.18 132.00 129.04 2eef h PRO 20 Ca -0.46 -0.21 0.30 0.00 -0.87 0.00 0.00 66.00 64.76 2eef h PRO 20 Cb 1.27 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 2eef h PRO 20 CO 0.71 0.77 0.58 0.66 -0.23 0.00 0.00 178.00 180.48 2eef h SER 21 N 0.05 0.56 -0.70 1.44 4.64 -1.72 -0.59 113.55 117.22 2eef h SER 21 Ca 0.03 0.18 0.22 0.00 -0.47 0.00 0.00 61.79 61.74 2eef h SER 21 Cb 0.69 0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 62.76 2eef h SER 21 CO 0.04 -0.07 0.11 0.00 -0.87 0.00 0.00 176.83 176.04 2eef n ALA 22 N -2.30 0.46 -3.28 5.18 0.00 -1.20 -2.74 120.51 116.63 2eef n ALA 22 Ca 0.30 0.74 -0.46 0.00 0.00 0.00 0.00 53.44 54.03 2eef n ALA 22 Cb 0.92 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.91 6.50 0.25 0.00 1.01 -0.23 -4.91 116.67 114.37 2eef s ASP 23 Ca -0.08 -2.21 -0.04 0.00 0.71 0.00 0.00 52.55 50.93 2eef s ASP 23 Cb 0.22 -2.23 0.40 0.00 1.01 0.00 0.00 42.92 42.32 2eef s ASP 23 CO 0.55 -0.76 1.82 0.22 0.21 0.00 0.00 175.17 177.21 2eef h TYR 24 N 8.37 0.90 0.20 4.23 5.03 -1.77 0.29 116.97 134.23 2eef h TYR 24 Ca -0.07 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 2eef h TYR 24 Cb 1.06 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.07 2eef h TYR 24 CO 0.92 0.38 -0.10 -0.07 -1.32 0.00 0.00 178.16 177.97 2eef h LEU 25 N 0.84 -0.23 -1.76 2.82 -0.00 -1.91 0.09 115.31 115.16 2eef h LEU 25 Ca 0.40 0.01 0.14 0.00 -0.00 0.00 0.00 57.88 58.43 2eef h LEU 25 Cb 0.35 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 2eef h LEU 25 CO -0.24 -0.03 0.60 -0.78 -0.00 0.00 0.00 178.44 177.99 2eef h ASP 26 N -0.54 0.00 0.00 -0.43 3.58 -1.93 -0.76 116.42 116.34 2eef h ASP 26 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2eef h ASP 26 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2eef h ASP 26 CO 0.05 0.00 -0.06 0.15 -2.88 0.00 0.00 179.24 176.50 2eef h PHE 27 N 0.00 0.00 -1.26 0.28 3.57 -0.43 -3.35 116.94 115.76 2eef h PHE 27 Ca 0.23 0.00 0.37 0.00 3.53 0.00 0.00 57.97 62.10 2eef h PHE 27 Cb 1.43 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.09 2eef h PHE 27 CO 0.00 0.00 0.86 0.07 -2.23 0.00 0.00 178.31 177.01 2eef h ARG 28 N -0.57 0.13 -0.87 1.11 0.11 -0.44 0.43 114.38 114.29 2eef h ARG 28 Ca 0.00 -0.01 0.09 0.00 0.10 0.00 0.00 59.98 60.16 2eef h ARG 28 Cb 0.06 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 31.04 2eef h ARG 28 CO 0.00 0.09 0.52 -0.91 0.10 0.00 0.00 179.97 179.76 2eef h ASN 29 N 0.13 0.77 0.27 0.08 2.35 -1.29 0.53 115.58 118.42 2eef h ASN 29 Ca 0.67 0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 56.26 2eef h ASN 29 Cb 2.28 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 40.53 2eef h ASN 29 CO -0.18 0.45 -0.81 0.03 -1.65 0.00 0.00 177.43 175.28 2eef h ARG 30 N 0.89 0.43 0.00 0.81 2.47 -0.27 0.14 114.38 118.84 2eef h ARG 30 Ca 0.41 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2eef h ARG 30 Cb 0.32 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2eef h ARG 30 CO -0.23 1.03 0.00 -0.11 0.56 0.00 0.00 179.97 181.23 2eef n LEU 31 N -3.81 0.79 -0.10 3.04 7.94 -0.65 0.81 117.00 125.02 2eef n LEU 31 Ca -0.05 0.60 -0.11 0.00 -1.11 0.00 0.00 56.01 55.34 2eef n LEU 31 Cb 0.75 -0.38 -0.14 0.00 0.53 0.00 0.00 43.42 44.18 2eef n LEU 31 CO 0.49 -0.28 -1.16 1.67 -1.11 0.00 0.00 177.39 177.00 2eef n GLN 32 N -2.27 0.83 -0.06 1.96 0.00 0.18 -2.78 117.38 115.23 2eef n GLN 32 Ca 0.05 0.02 -0.06 0.00 -0.00 0.00 0.00 57.00 57.00 2eef n GLN 32 Cb 0.38 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.98 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2eef n ALA 33 N -2.81 1.68 0.48 1.69 0.00 0.47 -4.35 120.51 117.68 2eef n ALA 33 Ca -0.34 -1.05 0.05 0.00 0.00 0.00 0.00 53.44 52.11 2eef n ALA 33 Cb 1.09 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 20.09 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.78 1.53 -2.51 0.00 2.03 0.24 -4.98 116.55 110.09 2eef n ASP 34 Ca -0.24 -1.27 -0.13 0.00 0.52 0.00 0.00 54.79 53.67 2eef n ASP 34 Cb 1.04 0.28 -0.00 0.00 -0.72 0.00 0.00 41.12 41.72 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N 0.11 -1.46 -3.63 -0.67 8.25 -0.98 -4.81 115.22 112.03 2eef n HIS 35 Ca 0.05 0.04 -0.06 0.00 -0.26 0.00 0.00 57.72 57.50 2eef n HIS 35 Cb 0.25 -2.77 -0.06 0.00 1.12 0.00 0.00 29.99 28.53 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.63 0.00 -0.17 1.59 0.11 -1.22 -3.28 120.40 114.79 2eef s VAL 36 Ca 0.03 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.77 2eef s VAL 36 Cb -0.02 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.97 2eef s VAL 36 CO 0.04 0.00 1.11 0.00 -3.33 0.00 0.00 175.10 172.92 2eef s LEU 38 N -1.48 4.16 -0.00 0.00 2.96 -1.26 -0.35 118.68 122.71 2eef s LEU 38 Ca 0.04 0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.31 2eef s LEU 38 Cb -0.01 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 2eef s LEU 38 CO -0.03 -0.51 0.66 -0.08 -1.32 0.00 0.00 176.35 175.07 2eef h GLU 39 N 8.22 -0.16 -4.46 1.98 4.81 -1.40 -3.40 114.58 120.18 2eef h GLU 39 Ca -0.26 0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.68 2eef h GLU 39 Cb 1.11 0.04 -0.24 0.00 0.63 0.00 0.00 28.75 30.29 2eef h GLU 39 CO 0.81 -0.11 -0.74 0.54 -0.73 0.00 0.00 179.01 178.79 2eef s ASN 40 N -2.85 0.76 -0.23 1.04 4.22 -1.23 -2.84 114.94 113.82 2eef s ASN 40 Ca -0.02 -0.35 -0.04 0.00 -2.14 0.00 0.00 52.86 50.30 2eef s ASN 40 Cb 0.00 -0.01 0.08 0.00 1.28 0.00 0.00 41.25 42.60 2eef s ASN 40 CO 0.07 -0.08 0.10 0.00 -2.04 0.00 0.00 177.10 175.14 2eef s VAL 42 N 2.04 3.54 0.05 0.00 -7.23 0.62 -4.98 120.40 114.44 2eef s VAL 42 Ca 0.05 -1.03 0.09 0.00 -1.81 0.00 0.00 61.98 59.28 2eef s VAL 42 Cb -0.16 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 2eef s VAL 42 CO -0.20 -0.08 -0.25 -0.22 -0.31 0.00 0.00 175.10 174.04 2eef s LEU 43 N -4.24 2.18 0.00 1.32 0.20 -1.26 -2.29 118.68 114.59 2eef s LEU 43 Ca 0.49 -0.59 0.05 0.00 0.69 0.00 0.00 54.13 54.78 2eef s LEU 43 Cb -0.09 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.45 2eef s LEU 43 CO 0.32 0.22 0.19 0.29 -0.29 0.00 0.00 176.35 177.08 2eef n LYS 44 N 1.72 0.36 -1.59 1.98 5.02 0.18 -4.96 118.16 120.88 2eef n LYS 44 Ca -0.17 -2.46 -0.47 0.00 -2.02 0.00 0.00 58.31 53.19 2eef n LYS 44 Cb 0.52 1.91 -0.05 0.00 -0.02 0.00 0.00 35.03 37.39 2eef n LYS 44 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2eef n ASP 45 N -1.98 3.04 -3.09 4.39 5.68 -1.26 -2.09 116.55 121.24 2eef n ASP 45 Ca 0.04 0.59 -0.17 0.00 -0.50 0.00 0.00 54.79 54.76 2eef n ASP 45 Cb 0.44 -1.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.00 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2eef n LYS 46 N 7.73 -1.85 -3.47 0.11 5.02 -1.26 -4.81 118.16 119.62 2eef n LYS 46 Ca 0.30 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2eef n LYS 46 Cb 0.32 -3.99 -0.03 0.00 -0.02 0.00 0.00 35.03 31.31 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eef s ALA 47 N -2.28 -1.46 0.16 7.82 0.00 -0.89 0.64 121.76 125.75 2eef s ALA 47 Ca 0.33 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2eef s ALA 47 Cb -0.19 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 2eef s ALA 47 CO 0.40 -0.71 -0.04 0.96 0.00 0.00 0.00 175.76 176.37 2eef s ILE 48 N -3.56 0.89 -0.18 0.00 -4.36 -0.02 0.52 121.20 114.49 2eef s ILE 48 Ca 0.00 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.27 2eef s ILE 48 Cb -0.00 -2.01 0.06 0.00 1.25 0.00 0.00 42.46 41.75 2eef s ILE 48 CO -0.11 -0.59 0.45 0.00 0.24 0.00 0.00 174.94 174.93 2eef s ALA 49 N -3.51 -1.14 0.08 2.27 0.00 -0.97 -2.75 121.76 115.73 2eef s ALA 49 Ca 0.21 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.49 2eef s ALA 49 Cb 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.30 2eef s ALA 49 CO 0.02 -0.26 0.57 0.20 0.00 0.00 0.00 175.76 176.29 2eef s GLY 50 N 1.15 -0.52 -0.14 0.00 0.00 -0.89 -0.28 107.32 106.65 2eef s GLY 50 Ca -0.07 0.64 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 2eef s GLY 50 CO -0.10 0.32 -0.08 -0.51 0.00 0.00 0.00 173.10 172.73 2eef s THR 51 N -2.85 3.55 -0.02 0.90 -4.23 -0.58 -0.60 115.64 111.82 2eef s THR 51 Ca -0.03 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2eef s THR 51 Cb -0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2eef s THR 51 CO -0.05 0.51 0.03 -0.69 -0.54 0.00 0.00 174.62 173.88 2eef s VAL 52 N 0.27 4.36 0.15 2.29 1.01 0.15 -0.96 120.40 127.67 2eef s VAL 52 Ca -0.06 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2eef s VAL 52 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2eef s VAL 52 CO 0.04 0.40 0.14 -0.54 0.00 0.00 0.00 175.10 175.14 2eef s LYS 53 N -1.51 2.96 0.03 2.72 -0.14 0.52 -2.02 119.74 122.30 2eef s LYS 53 Ca 0.20 -0.80 -0.10 0.00 -1.36 0.00 0.00 55.97 53.90 2eef s LYS 53 Cb -0.12 -2.70 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 2eef s LYS 53 CO 0.10 0.51 0.21 0.14 -0.76 0.00 0.00 175.35 175.55 2eef s VAL 54 N -1.68 0.10 0.37 3.17 -7.23 -1.25 -2.72 120.40 111.15 2eef s VAL 54 Ca 0.31 -0.80 -0.17 0.00 -1.81 0.00 0.00 61.98 59.51 2eef s VAL 54 Cb -0.11 -0.82 -0.10 0.00 0.56 0.00 0.00 36.38 35.92 2eef s VAL 54 CO 0.24 -0.44 0.82 -1.10 -0.31 0.00 0.00 175.10 174.31 2eef s GLN 55 N -2.27 4.09 -0.04 4.82 -1.52 -1.21 -4.49 119.66 119.03 2eef s GLN 55 Ca -0.07 0.84 -0.04 0.00 -1.95 0.00 0.00 55.36 54.14 2eef s GLN 55 Cb -0.02 -2.33 -0.15 0.00 -0.22 0.00 0.00 33.01 30.29 2eef s GLN 55 CO -0.02 0.08 3.01 -1.71 -0.25 0.00 0.00 175.29 176.39 2eef n ASN 56 N -0.50 5.40 0.44 5.90 5.15 -1.26 -4.54 115.26 125.85 2eef n ASN 56 Ca 0.05 -2.53 -0.19 0.00 -0.60 0.00 0.00 54.58 51.31 2eef n ASN 56 Cb 0.53 -1.30 -0.09 0.00 -0.53 0.00 0.00 39.78 38.39 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2eef h LEU 57 N 4.21 -0.92 -9.45 1.20 3.38 -1.98 -3.46 115.31 108.30 2eef h LEU 57 Ca 0.15 0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.60 2eef h LEU 57 Cb 1.28 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 42.14 2eef h LEU 57 CO 0.22 -0.65 -0.58 0.00 0.09 0.00 0.00 178.44 177.52 2eef s ALA 58 N -6.02 2.84 -0.01 1.53 0.00 -1.26 -5.04 121.76 113.80 2eef s ALA 58 Ca -0.19 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 49.80 2eef s ALA 58 Cb 0.03 0.50 -0.12 0.00 0.00 0.00 0.00 23.12 23.53 2eef s ALA 58 CO 0.61 -0.24 0.89 0.35 0.00 0.00 0.00 175.76 177.37 2eef h PHE 59 N 1.89 -0.72 -3.28 0.00 3.04 -1.98 -3.43 116.94 112.47 2eef h PHE 59 Ca -0.41 -0.02 -0.54 0.00 3.98 0.00 0.00 57.97 60.99 2eef h PHE 59 Cb 1.26 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 40.00 2eef h PHE 59 CO 0.89 -0.45 0.48 -1.21 -2.02 0.00 0.00 178.31 176.01 2eef s GLU 60 N -4.06 4.48 0.01 1.11 2.02 -1.26 -5.04 118.70 115.96 2eef s GLU 60 Ca -0.11 1.60 0.05 0.00 0.02 0.00 0.00 54.97 56.53 2eef s GLU 60 Cb 0.01 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 2eef s GLU 60 CO 0.34 -0.18 -0.14 0.15 0.02 0.00 0.00 175.26 175.45 2eef s LYS 61 N 1.11 1.07 -0.22 1.61 1.02 -1.26 -4.73 119.74 118.34 2eef s LYS 61 Ca 0.55 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.95 2eef s LYS 61 Cb -0.25 -1.06 0.05 0.00 -0.52 0.00 0.00 37.83 36.05 2eef s LYS 61 CO 0.28 0.28 -0.07 0.99 -0.92 0.00 0.00 175.35 175.91 2eef s THR 62 N -0.52 1.54 -0.21 2.17 2.01 -0.91 -5.04 115.64 114.68 2eef s THR 62 Ca 0.04 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 2eef s THR 62 Cb -0.06 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.71 2eef s THR 62 CO 0.00 -0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.14 2eef s VAL 63 N 1.41 2.77 -0.02 3.82 1.01 -1.26 -0.88 120.40 127.25 2eef s VAL 63 Ca -0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2eef s VAL 63 Cb -0.18 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2eef s VAL 63 CO -0.07 0.41 -0.01 -0.54 0.00 0.00 0.00 175.10 174.89 2eef s LYS 64 N 1.37 0.27 -0.01 2.72 1.02 -0.88 -2.40 119.74 121.83 2eef s LYS 64 Ca 0.04 0.00 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 2eef s LYS 64 Cb -0.14 -0.37 -0.06 0.00 -0.52 0.00 0.00 37.83 36.74 2eef s LYS 64 CO -0.07 -0.05 0.43 0.42 -0.92 0.00 0.00 175.35 175.16 2eef s ILE 65 N 0.57 5.03 -0.27 2.17 -1.09 -0.86 -1.48 121.20 125.28 2eef s ILE 65 Ca -0.06 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.29 2eef s ILE 65 Cb -0.09 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.11 2eef s ILE 65 CO -0.01 0.53 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.02 2eef s ARG 66 N -0.77 2.06 -0.01 2.79 1.81 -1.09 -1.63 118.95 122.12 2eef s ARG 66 Ca 0.24 -1.36 0.06 0.00 -1.72 0.00 0.00 55.73 52.96 2eef s ARG 66 Cb -0.17 -2.88 -0.02 0.00 -0.45 0.00 0.00 34.95 31.44 2eef s ARG 66 CO 0.13 -0.62 -0.20 1.41 -0.68 0.00 0.00 175.30 175.34 2eef s MET 67 N 1.12 1.61 0.30 3.54 1.75 -1.26 -0.90 119.30 125.46 2eef s MET 67 Ca -0.06 -0.75 0.10 0.00 -1.25 0.00 0.00 55.69 53.73 2eef s MET 67 Cb -0.20 -1.58 -0.05 0.00 2.84 0.00 0.00 34.83 35.85 2eef s MET 67 CO -0.06 0.43 -0.07 -0.08 -0.65 0.00 0.00 175.02 174.59 2eef s THR 68 N -0.52 2.72 0.00 10.11 -1.32 -0.62 -3.57 115.64 122.44 2eef s THR 68 Ca 0.08 -2.13 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 2eef s THR 68 Cb -0.08 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 2eef s THR 68 CO -0.00 -0.30 0.65 0.49 -2.21 0.00 0.00 174.62 173.24 2eef n PHE 69 N -0.81 0.00 -3.43 9.09 3.01 -1.26 -3.50 117.46 120.56 2eef n PHE 69 Ca -0.05 -0.16 -0.26 0.00 1.01 0.00 0.00 57.45 57.98 2eef n PHE 69 Cb 0.61 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.97 2eef n PHE 69 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2eef n ASP 70 N -0.16 0.62 -3.77 4.37 2.03 -1.24 -4.57 116.55 113.83 2eef n ASP 70 Ca 0.00 -2.68 -0.23 0.00 0.52 0.00 0.00 54.79 52.40 2eef n ASP 70 Cb 0.40 -0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 40.12 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2eef n THR 71 N 2.16 -0.64 -3.65 5.18 -1.04 -1.19 0.17 114.28 115.27 2eef n THR 71 Ca 0.26 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.05 61.74 2eef n THR 71 Cb 0.47 -0.67 0.05 0.00 -1.82 0.00 0.00 70.33 68.35 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.48 -2.01 -0.10 -1.42 7.02 -1.26 -4.93 117.44 111.26 2eef n TRP 72 Ca -0.20 0.87 -0.24 0.00 -1.02 0.00 0.00 57.50 56.91 2eef n TRP 72 Cb 0.48 -4.54 -0.12 0.00 -2.42 0.00 0.00 31.31 24.71 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -4.28 0.63 -3.65 -0.99 4.76 0.44 -4.98 118.16 110.10 2eef n LYS 73 Ca -0.28 0.32 -0.03 0.00 -2.87 0.00 0.00 58.31 55.45 2eef n LYS 73 Cb 0.67 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2eef s SER 74 N -7.03 -0.98 0.43 4.39 0.15 -1.26 -5.08 113.70 104.32 2eef s SER 74 Ca -0.32 1.47 0.06 0.00 0.70 0.00 0.00 55.95 57.86 2eef s SER 74 Cb 0.10 2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 66.43 2eef s SER 74 CO 0.60 -0.22 0.06 -0.72 1.20 0.00 0.00 173.24 174.16 2eef s TYR 75 N 2.77 2.43 -0.02 3.44 -0.85 -1.26 -4.43 117.35 119.43 2eef s TYR 75 Ca -0.06 -0.69 0.06 0.00 -0.52 0.00 0.00 57.07 55.86 2eef s TYR 75 Cb -0.12 -1.81 -0.01 0.00 0.38 0.00 0.00 41.96 40.40 2eef s TYR 75 CO -0.18 0.33 -0.19 0.99 -1.52 0.00 0.00 175.55 174.97 2eef s THR 76 N -2.71 1.55 -0.58 -3.49 2.01 -1.23 -4.98 115.64 106.21 2eef s THR 76 Ca 0.32 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 2eef s THR 76 Cb 0.07 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.32 2eef s THR 76 CO 0.17 0.44 1.04 1.51 -0.69 0.00 0.00 174.62 177.10 2eef s ASP 77 N -0.37 6.35 -0.08 3.53 -4.77 -1.26 -4.03 116.67 116.03 2eef s ASP 77 Ca 0.05 -0.26 -0.19 0.00 -3.30 0.00 0.00 52.55 48.85 2eef s ASP 77 Cb -0.08 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 2eef s ASP 77 CO -0.00 -1.36 0.53 -0.36 0.70 0.00 0.00 175.17 174.68 2eef s PHE 78 N 4.39 3.56 0.14 2.11 0.08 -0.64 -4.91 117.98 122.72 2eef s PHE 78 Ca 0.34 1.01 -0.31 0.00 0.12 0.00 0.00 56.93 58.10 2eef s PHE 78 Cb -0.11 -2.59 -0.08 0.00 -0.57 0.00 0.00 43.02 39.67 2eef s PHE 78 CO 0.20 0.21 1.34 -1.25 -0.10 0.00 0.00 175.22 175.62 2eef s PRO 79 N 0.44 4.36 0.15 0.24 0.04 -1.26 -2.03 135.00 136.93 2eef s PRO 79 Ca 0.29 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 2eef s PRO 79 Cb -0.16 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 2eef s PRO 79 CO 0.13 -0.35 0.62 0.00 0.04 0.00 0.00 177.00 177.45 2eef s GLN 81 N -1.63 2.13 -0.16 0.00 -1.52 0.22 -4.88 119.66 113.82 2eef s GLN 81 Ca 0.36 -0.63 -0.03 0.00 -1.95 0.00 0.00 55.36 53.11 2eef s GLN 81 Cb -0.18 -2.30 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 2eef s GLN 81 CO 0.20 -1.16 -0.05 -0.47 -0.25 0.00 0.00 175.29 173.56 2eef s TYR 82 N -3.09 3.00 -0.41 0.91 6.14 -1.26 -0.83 117.35 121.80 2eef s TYR 82 Ca 0.61 -0.36 -0.17 0.00 0.64 0.00 0.00 57.07 57.79 2eef s TYR 82 Cb -0.09 -1.95 0.02 0.00 0.42 0.00 0.00 41.96 40.36 2eef s TYR 82 CO 0.43 -0.08 0.41 0.08 0.64 0.00 0.00 175.55 177.03 2eef s VAL 83 N 0.41 5.12 -0.43 3.14 1.01 -0.72 -4.85 120.40 124.07 2eef s VAL 83 Ca -0.05 -0.37 0.16 0.00 0.00 0.00 0.00 61.98 61.72 2eef s VAL 83 Cb -0.14 -4.01 0.68 0.00 0.00 0.00 0.00 36.38 32.91 2eef s VAL 83 CO 0.03 -0.39 1.60 0.29 0.00 0.00 0.00 175.10 176.63 2eef n LYS 84 N 5.52 3.94 -0.77 2.72 5.02 -1.26 -4.63 118.16 128.70 2eef n LYS 84 Ca -0.08 -2.95 -0.33 0.00 -2.02 0.00 0.00 58.31 52.93 2eef n LYS 84 Cb 0.47 -2.01 0.13 0.00 -0.02 0.00 0.00 35.03 33.61 2eef n LYS 84 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2eef n ASP 85 N 0.35 -2.04 -0.34 4.39 2.03 -1.26 -4.74 116.55 114.95 2eef n ASP 85 Ca 0.24 0.27 0.18 0.00 0.52 0.00 0.00 54.79 56.00 2eef n ASP 85 Cb 1.00 -1.18 0.39 0.00 -0.72 0.00 0.00 41.12 40.61 2eef n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eef h THR 86 N -1.66 0.48 -0.22 5.18 1.03 -2.01 0.57 112.91 116.29 2eef h THR 86 Ca -0.45 -0.17 -0.03 0.00 -0.01 0.00 0.00 66.41 65.74 2eef h THR 86 Cb 1.29 -0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2eef h THR 86 CO 0.35 0.09 0.01 0.22 -0.01 0.00 0.00 175.52 176.18 2eef h TYR 87 N 0.51 0.41 -0.69 0.00 3.20 -1.97 -3.40 116.97 115.02 2eef h TYR 87 Ca 0.65 -0.07 -0.29 0.00 3.14 0.00 0.00 58.73 62.16 2eef h TYR 87 Cb 1.29 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 2eef h TYR 87 CO -0.02 0.56 1.16 0.00 -1.64 0.00 0.00 178.16 178.21 2eef n ALA 88 N -2.33 0.60 -1.00 1.82 0.00 0.19 -4.90 120.51 114.90 2eef n ALA 88 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2eef n ALA 88 Cb 0.23 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.70 2eef n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eef n GLY 89 N 6.29 -1.07 0.59 0.00 0.00 -1.26 -4.66 105.19 105.08 2eef n GLY 89 Ca 0.49 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2eef n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 90 N 0.00 1.17 0.01 1.61 7.64 -1.26 -4.74 113.62 118.05 2eef n SER 90 Ca 0.00 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 2eef n SER 90 Cb 0.00 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 2eef n SER 90 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2eef h ASP 91 N -0.26 -0.42 -3.71 6.43 3.32 -2.01 -3.38 116.42 116.39 2eef h ASP 91 Ca -0.22 0.08 -0.66 0.00 0.02 0.00 0.00 57.03 56.24 2eef h ASP 91 Cb 1.22 0.20 -0.17 0.00 0.22 0.00 0.00 39.33 40.79 2eef h ASP 91 CO -0.12 -0.18 -0.35 -0.13 -1.72 0.00 0.00 179.24 176.73 2eef s ARG 92 N -6.15 3.64 -0.23 3.56 1.81 -1.26 -4.76 118.95 115.56 2eef s ARG 92 Ca -0.14 -0.41 -0.21 0.00 -1.72 0.00 0.00 55.73 53.25 2eef s ARG 92 Cb 0.10 -3.77 -0.02 0.00 -0.45 0.00 0.00 34.95 30.81 2eef s ARG 92 CO 0.67 -0.44 0.68 -0.51 -0.68 0.00 0.00 175.30 175.02 2eef s ASP 93 N 1.72 6.67 -0.26 0.23 1.11 -1.26 -4.20 116.67 120.68 2eef s ASP 93 Ca 0.10 0.83 -0.05 0.00 0.18 0.00 0.00 52.55 53.61 2eef s ASP 93 Cb -0.17 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2eef s ASP 93 CO 0.11 -0.37 0.02 -0.89 1.18 0.00 0.00 175.17 175.22 2eef s THR 94 N 2.38 3.63 0.05 -1.27 2.01 -1.26 -3.84 115.64 117.33 2eef s THR 94 Ca 0.29 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2eef s THR 94 Cb -0.16 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2eef s THR 94 CO 0.09 0.21 0.09 -0.36 -0.69 0.00 0.00 174.62 173.95 2eef s PHE 95 N 1.47 3.24 0.27 4.92 0.40 -0.85 -1.75 117.98 125.67 2eef s PHE 95 Ca 0.03 0.14 0.10 0.00 -0.60 0.00 0.00 56.93 56.60 2eef s PHE 95 Cb -0.16 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 2eef s PHE 95 CO -0.00 0.53 -0.04 -1.54 0.70 0.00 0.00 175.22 174.87 2eef s SER 96 N -2.14 4.36 -0.02 1.36 1.04 -0.01 0.33 113.70 118.61 2eef s SER 96 Ca 0.27 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 2eef s SER 96 Cb -0.12 -0.74 0.01 0.00 0.10 0.00 0.00 66.02 65.26 2eef s SER 96 CO 0.19 0.01 0.07 0.72 0.98 0.00 0.00 173.24 175.21 2eef s PHE 97 N -2.35 -0.06 -0.31 5.02 -0.12 0.23 0.70 117.98 121.09 2eef s PHE 97 Ca 0.31 0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 57.32 2eef s PHE 97 Cb -0.06 0.01 0.10 0.00 -0.63 0.00 0.00 43.02 42.44 2eef s PHE 97 CO 0.19 -0.05 0.11 0.16 -0.05 0.00 0.00 175.22 175.58 2eef s ASP 98 N -0.08 3.87 -0.14 1.98 1.47 -1.26 -2.09 116.67 120.43 2eef s ASP 98 Ca -0.01 -1.55 -0.07 0.00 1.18 0.00 0.00 52.55 52.10 2eef s ASP 98 Cb -0.01 -0.71 -0.04 0.00 -0.34 0.00 0.00 42.92 41.82 2eef s ASP 98 CO 0.00 -0.42 0.11 -0.63 0.68 0.00 0.00 175.17 174.91 2eef s ILE 99 N 1.74 5.21 -0.23 2.11 1.01 -1.11 -4.94 121.20 124.99 2eef s ILE 99 Ca 0.10 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 2eef s ILE 99 Cb -0.17 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2eef s ILE 99 CO -0.28 0.57 0.56 -0.94 0.00 0.00 0.00 174.94 174.84 2eef s SER 100 N -0.59 6.54 0.76 3.58 1.04 -1.26 -0.84 113.70 122.92 2eef s SER 100 Ca 0.12 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 2eef s SER 100 Cb -0.12 -2.31 0.05 0.00 0.10 0.00 0.00 66.02 63.75 2eef s SER 100 CO 0.02 -0.27 1.21 -0.76 0.98 0.00 0.00 173.24 174.43 2eef s LEU 101 N 2.07 3.26 0.00 2.42 1.43 0.21 -4.92 118.68 123.15 2eef s LEU 101 Ca 0.24 2.38 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 2eef s LEU 101 Cb -0.16 -4.59 0.25 0.00 0.03 0.00 0.00 46.19 41.72 2eef s LEU 101 CO 0.09 -2.41 0.89 -0.81 0.23 0.00 0.00 176.35 174.34 2eef n PRO 102 N -2.91 -2.75 -0.03 1.29 -0.04 -1.26 -4.84 135.00 124.46 2eef n PRO 102 Ca 0.14 -1.42 -0.16 0.00 -0.04 0.00 0.00 63.50 62.01 2eef n PRO 102 Cb 0.50 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 2eef n PRO 102 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2eef h GLU 103 N 0.00 0.61 -4.08 0.54 4.11 -1.98 -3.47 114.58 110.31 2eef h GLU 103 Ca -0.33 -0.49 -0.13 0.00 0.07 0.00 0.00 59.36 58.47 2eef h GLU 103 Cb 1.02 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 30.20 2eef h GLU 103 CO 0.22 1.11 -0.65 0.15 0.07 0.00 0.00 179.01 179.92 2eef s LYS 104 N -3.71 0.53 -0.13 1.06 1.02 -1.26 -5.16 119.74 112.09 2eef s LYS 104 Ca -0.12 -0.96 -0.09 0.00 0.02 0.00 0.00 55.97 54.82 2eef s LYS 104 Cb 0.06 0.19 0.04 0.00 -0.52 0.00 0.00 37.83 37.61 2eef s LYS 104 CO 0.85 -0.11 0.32 0.42 -0.92 0.00 0.00 175.35 175.91 2eef s ILE 105 N -3.02 -0.02 0.18 2.17 1.01 -1.26 -5.17 121.20 115.09 2eef s ILE 105 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 2eef s ILE 105 Cb 0.01 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 2eef s ILE 105 CO -0.07 0.03 0.15 -1.10 0.00 0.00 0.00 174.94 173.95 2eef s GLN 106 N 0.85 1.14 0.10 2.79 -1.52 -1.26 -5.07 119.66 116.69 2eef s GLN 106 Ca -0.06 -1.50 -0.23 0.00 -1.95 0.00 0.00 55.36 51.62 2eef s GLN 106 Cb -0.07 0.29 -0.11 0.00 -0.22 0.00 0.00 33.01 32.90 2eef s GLN 106 CO -0.06 -0.37 1.71 1.03 -0.25 0.00 0.00 175.29 177.35 2eef h SER 107 N 2.66 -0.18 -0.87 5.90 0.87 -2.02 -2.43 113.55 117.47 2eef h SER 107 Ca -0.35 0.03 0.34 0.00 -1.23 0.00 0.00 61.79 60.58 2eef h SER 107 Cb 1.23 0.08 -0.12 0.00 -0.44 0.00 0.00 62.40 63.15 2eef h SER 107 CO 0.53 -0.10 0.52 0.00 -0.53 0.00 0.00 176.83 177.25 2eef n TYR 108 N -5.18 0.74 -3.92 2.24 4.11 -1.26 -3.77 117.16 110.12 2eef n TYR 108 Ca -0.06 0.75 -0.36 0.00 -0.00 0.00 0.00 57.90 58.23 2eef n TYR 108 Cb 0.11 -1.16 -0.12 0.00 -0.00 0.00 0.00 39.34 38.17 2eef n TYR 108 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 2eef s GLU 109 N -5.03 3.77 0.21 -3.48 -1.05 -0.92 -4.84 118.70 107.36 2eef s GLU 109 Ca -0.06 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 54.02 2eef s GLU 109 Cb 0.25 -3.24 -0.08 0.00 -0.44 0.00 0.00 34.13 30.61 2eef s GLU 109 CO 0.60 0.01 0.98 0.50 0.95 0.00 0.00 175.26 178.31 2eef s ARG 110 N 1.06 4.76 -0.24 -4.83 3.52 -1.25 -4.59 118.95 117.40 2eef s ARG 110 Ca 0.04 1.54 0.01 0.00 -0.13 0.00 0.00 55.73 57.19 2eef s ARG 110 Cb -0.14 -3.29 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2eef s ARG 110 CO 0.03 0.36 -0.07 1.41 -0.81 0.00 0.00 175.30 176.21 2eef s MET 111 N -0.82 1.83 0.05 5.12 -2.45 -1.26 -3.16 119.30 118.61 2eef s MET 111 Ca 0.44 -1.06 -0.09 0.00 -1.25 0.00 0.00 55.69 53.73 2eef s MET 111 Cb -0.26 -2.64 0.00 0.00 1.25 0.00 0.00 34.83 33.18 2eef s MET 111 CO 0.33 -0.57 0.19 -1.21 1.05 0.00 0.00 175.02 174.81 2eef s GLU 112 N 1.32 0.73 0.04 4.11 2.02 -1.23 -3.30 118.70 122.39 2eef s GLU 112 Ca -0.06 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 2eef s GLU 112 Cb -0.19 0.30 -0.03 0.00 0.10 0.00 0.00 34.13 34.31 2eef s GLU 112 CO -0.06 -0.22 -0.03 -0.59 0.02 0.00 0.00 175.26 174.38 2eef s PHE 113 N -2.98 0.40 -0.04 1.61 -0.12 -1.26 -1.58 117.98 114.01 2eef s PHE 113 Ca -0.02 -0.74 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2eef s PHE 113 Cb 0.01 -0.29 0.03 0.00 -0.63 0.00 0.00 43.02 42.14 2eef s PHE 113 CO -0.06 -0.25 0.08 0.00 -0.05 0.00 0.00 175.22 174.94 2eef s ALA 114 N -2.42 -0.02 0.30 1.99 0.00 -0.08 -3.99 121.76 117.53 2eef s ALA 114 Ca -0.06 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2eef s ALA 114 Cb -0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.58 2eef s ALA 114 CO -0.04 -0.21 1.41 0.08 0.00 0.00 0.00 175.76 176.99 2eef s VAL 115 N 1.36 2.57 -0.36 0.00 1.01 -0.93 -2.69 120.40 121.35 2eef s VAL 115 Ca -0.06 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2eef s VAL 115 Cb -0.12 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.03 2eef s VAL 115 CO -0.04 0.10 0.09 -0.47 0.00 0.00 0.00 175.10 174.79 2eef s TYR 116 N -0.53 3.27 -0.30 5.22 5.04 -0.55 -1.88 117.35 127.63 2eef s TYR 116 Ca 0.55 -2.80 -0.11 0.00 -2.44 0.00 0.00 57.07 52.27 2eef s TYR 116 Cb -0.42 -2.67 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 2eef s TYR 116 CO 0.49 -0.90 0.19 -0.47 -1.34 0.00 0.00 175.55 173.53 2eef s TYR 117 N 0.83 3.21 -0.18 4.97 5.04 -0.42 -2.07 117.35 128.72 2eef s TYR 117 Ca 0.12 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.65 2eef s TYR 117 Cb -0.20 -2.40 -0.02 0.00 0.35 0.00 0.00 41.96 39.69 2eef s TYR 117 CO -0.09 -0.25 -0.03 -2.00 -1.34 0.00 0.00 175.55 171.83 2eef s GLU 118 N 1.73 3.57 -0.13 4.97 -6.30 -0.06 -0.70 118.70 121.79 2eef s GLU 118 Ca 0.07 -0.55 -0.30 0.00 -2.50 0.00 0.00 54.97 51.68 2eef s GLU 118 Cb -0.16 -2.96 0.10 0.00 0.00 0.00 0.00 34.13 31.10 2eef s GLU 118 CO 0.10 0.08 0.83 0.00 0.02 0.00 0.00 175.26 176.30 2eef n ASN 120 N 1.07 -0.49 -3.62 0.00 3.02 -1.26 -0.56 115.26 113.41 2eef n ASN 120 Ca -0.15 -0.98 -0.27 0.00 -0.03 0.00 0.00 54.58 53.15 2eef n ASN 120 Cb 0.57 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.92 -0.49 3.30 7.41 0.00 -1.26 -4.95 105.19 107.28 2eef n GLY 121 Ca -0.30 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -6.30 1.30 -0.06 1.61 -1.52 0.27 -5.16 119.66 109.80 2eef s GLN 122 Ca 0.52 -1.67 -0.00 0.00 -1.95 0.00 0.00 55.36 52.26 2eef s GLN 122 Cb -0.27 -0.36 0.03 0.00 -0.22 0.00 0.00 33.01 32.19 2eef s GLN 122 CO 0.64 -0.19 -0.01 0.99 -0.25 0.00 0.00 175.29 176.46 2eef s THR 123 N -3.64 0.43 -0.16 -0.19 2.01 -1.26 -2.31 115.64 110.51 2eef s THR 123 Ca 0.31 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2eef s THR 123 Cb 0.07 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 2eef s THR 123 CO 0.09 0.24 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.82 2eef s TYR 124 N 1.56 2.82 -0.28 4.92 2.02 0.13 -4.99 117.35 123.54 2eef s TYR 124 Ca -0.01 -0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 55.65 2eef s TYR 124 Cb -0.13 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2eef s TYR 124 CO -0.03 -0.46 0.03 -1.58 -1.57 0.00 0.00 175.55 171.93 2eef s TRP 125 N 0.89 3.12 -0.45 2.71 0.52 -1.26 -1.31 118.94 123.16 2eef s TRP 125 Ca -0.03 -1.19 -0.08 0.00 0.02 0.00 0.00 56.10 54.81 2eef s TRP 125 Cb -0.15 -2.18 0.11 0.00 -1.15 0.00 0.00 33.47 30.10 2eef s TRP 125 CO -0.01 -0.63 0.31 0.34 0.02 0.00 0.00 176.95 176.98 2eef s ASP 126 N 1.43 5.63 -0.40 2.95 2.15 -0.79 -4.95 116.67 122.70 2eef s ASP 126 Ca 0.02 -1.85 -0.05 0.00 0.43 0.00 0.00 52.55 51.09 2eef s ASP 126 Cb -0.17 -1.98 0.09 0.00 -0.30 0.00 0.00 42.92 40.56 2eef s ASP 126 CO -0.00 -0.65 0.20 -0.94 -0.17 0.00 0.00 175.17 173.61 2eef s SER 127 N 2.47 5.36 -0.79 -0.34 1.04 -1.26 -2.19 113.70 117.99 2eef s SER 127 Ca 0.05 -1.72 -0.10 0.00 0.48 0.00 0.00 55.95 54.66 2eef s SER 127 Cb -0.25 -1.88 0.10 0.00 0.10 0.00 0.00 66.02 64.09 2eef s SER 127 CO -0.01 -0.51 0.25 -0.46 0.98 0.00 0.00 173.24 173.50 2eef n ASN 128 N 4.73 -0.90 -3.94 7.02 6.94 -1.26 -0.02 115.26 127.83 2eef n ASN 128 Ca -0.07 -0.45 -0.28 0.00 -0.02 0.00 0.00 54.58 53.76 2eef n ASN 128 Cb 0.42 -0.81 -0.05 0.00 -2.36 0.00 0.00 39.78 36.99 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2eef n ARG 129 N -2.21 -0.77 0.00 -3.83 1.85 -1.26 -4.31 116.66 106.13 2eef n ARG 129 Ca 0.05 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2eef n ARG 129 Cb 0.26 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.27 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eef n GLY 130 N -2.10 -2.08 0.76 2.89 0.00 0.97 -5.05 105.19 100.57 2eef n GLY 130 Ca -0.20 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.09 -3.63 1.61 5.02 -1.23 -4.97 118.16 115.04 2eef n LYS 131 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2eef n LYS 131 Cb 0.00 -0.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.50 2eef n LYS 131 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2eef s ASN 132 N -5.46 -0.09 -0.62 4.39 0.01 -1.26 -4.77 114.94 107.15 2eef s ASN 132 Ca -0.05 -0.15 -0.21 0.00 -0.71 0.00 0.00 52.86 51.74 2eef s ASN 132 Cb 0.01 0.20 0.08 0.00 0.41 0.00 0.00 41.25 41.95 2eef s ASN 132 CO 0.07 -0.37 0.84 -0.31 -1.51 0.00 0.00 177.10 175.82 2eef s TYR 133 N -2.54 2.83 -0.48 2.20 2.02 -1.26 -4.57 117.35 115.55 2eef s TYR 133 Ca 0.13 -0.67 -0.29 0.00 -0.37 0.00 0.00 57.07 55.87 2eef s TYR 133 Cb 0.03 -4.12 0.03 0.00 -0.40 0.00 0.00 41.96 37.51 2eef s TYR 133 CO -0.03 -1.45 1.13 0.50 -1.57 0.00 0.00 175.55 174.12 2eef s ARG 134 N 3.44 3.70 -0.36 -0.62 3.52 -1.26 -4.05 118.95 123.31 2eef s ARG 134 Ca 0.18 0.51 -0.15 0.00 -0.13 0.00 0.00 55.73 56.15 2eef s ARG 134 Cb -0.20 -3.92 -0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2eef s ARG 134 CO 0.09 -1.39 0.32 0.42 -0.81 0.00 0.00 175.30 173.93 2eef s ILE 135 N 4.44 5.22 0.48 4.11 1.01 -1.21 -3.37 121.20 131.88 2eef s ILE 135 Ca 0.47 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.95 2eef s ILE 135 Cb -0.07 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2eef s ILE 135 CO 0.31 -0.15 0.37 0.27 0.00 0.00 0.00 174.94 175.74 2eef s ILE 136 N 1.86 2.13 0.53 2.92 -4.36 -1.04 -4.82 121.20 118.43 2eef s ILE 136 Ca 0.08 -1.46 -0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2eef s ILE 136 Cb -0.17 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.95 2eef s ILE 136 CO 0.11 0.00 0.80 -0.60 0.24 0.00 0.00 174.94 175.49 2eef s ARG 137 N -4.17 2.96 0.22 0.37 3.52 -1.26 -0.58 118.95 120.00 2eef s ARG 137 Ca 0.41 -0.25 0.08 0.00 -0.13 0.00 0.00 55.73 55.85 2eef s ARG 137 Cb -0.02 -2.40 0.18 0.00 -1.56 0.00 0.00 34.95 31.15 2eef s ARG 137 CO 0.24 -0.53 1.51 0.00 -0.81 0.00 0.00 175.30 175.71 2eef h ALA 138 N 0.07 0.77 0.00 6.12 0.00 -1.71 -3.14 119.26 121.38 2eef h ALA 138 Ca -0.46 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 53.63 2eef h ALA 138 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2eef h ALA 138 CO 0.59 0.89 -0.81 1.05 0.00 0.00 0.00 179.25 180.98 2eef h GLU 139 N 0.03 0.00 -0.71 0.00 4.11 -1.95 -3.22 114.58 112.84 2eef h GLU 139 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2eef h GLU 139 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2eef h GLU 139 CO 0.10 0.81 0.33 -0.07 0.07 0.00 0.00 179.01 180.25 2eef h LEU 140 N 0.00 0.91 -8.76 3.06 3.38 -1.94 -3.39 115.31 108.57 2eef h LEU 140 Ca -0.01 -0.10 -0.56 0.00 0.09 0.00 0.00 57.88 57.30 2eef h LEU 140 Cb 1.46 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 2eef h LEU 140 CO 0.10 0.77 0.89 -0.54 0.09 0.00 0.00 178.44 179.76 2eef s LYS 141 N -5.57 3.77 0.31 1.13 -0.14 -1.22 -5.02 119.74 113.00 2eef s LYS 141 Ca -0.11 0.63 0.03 0.00 -1.36 0.00 0.00 55.97 55.15 2eef s LYS 141 Cb 0.16 -3.88 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 2eef s LYS 141 CO 0.81 -1.29 0.48 -1.54 -0.76 0.00 0.00 175.35 173.04 2eef s SER 142 N 2.32 6.24 -0.78 2.83 1.04 -1.26 -4.53 113.70 119.55 2eef s SER 142 Ca 0.47 0.23 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 2eef s SER 142 Cb -0.08 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.19 2eef s SER 142 CO 0.29 -0.25 0.66 0.41 0.98 0.00 0.00 173.24 175.33 2eef n THR 143 N -1.64 -2.92 -3.65 2.02 -1.04 -1.26 -5.03 114.28 100.75 2eef n THR 143 Ca -0.06 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 2eef n THR 143 Cb 0.57 -3.62 -0.04 0.00 -1.82 0.00 0.00 70.33 65.42 2eef n THR 143 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2eef s GLN 144 N -5.24 3.57 2.96 -2.82 -0.21 -1.26 -4.96 119.66 111.70 2eef s GLN 144 Ca 0.15 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.34 2eef s GLN 144 Cb -0.07 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.12 2eef s GLN 144 CO 0.45 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.45 2eef n GLY 145 N -0.33 2.08 3.67 3.09 0.00 -1.26 -4.64 105.19 107.79 2eef n GLY 145 Ca -0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 2eef n GLY 145 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eef s MET 146 N 0.00 0.47 -0.05 1.61 -1.94 -1.26 -5.07 119.30 113.05 2eef s MET 146 Ca 0.00 0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 54.57 2eef s MET 146 Cb 0.00 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 35.13 2eef s MET 146 CO 0.00 -2.73 0.13 -0.08 -0.01 0.00 0.00 175.02 172.32 2eef s THR 147 N -2.90 -0.01 0.19 2.05 -1.32 -1.26 -5.00 115.64 107.38 2eef s THR 147 Ca 0.65 0.05 -0.27 0.00 -1.21 0.00 0.00 61.69 60.92 2eef s THR 147 Cb -0.19 -0.19 -0.16 0.00 -1.51 0.00 0.00 72.50 70.45 2eef s THR 147 CO 0.58 0.02 0.49 2.29 -2.21 0.00 0.00 174.62 175.80 2eef n LYS 148 N 3.35 0.00 -2.11 7.08 2.85 -1.26 -4.79 118.16 123.28 2eef n LYS 148 Ca -0.16 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.67 2eef n LYS 148 Cb 0.57 -0.96 -0.03 0.00 -0.65 0.00 0.00 35.03 33.97 2eef n LYS 148 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2eef s PRO 149 N -0.96 3.77 0.03 -1.58 0.04 -1.26 -5.00 135.00 130.05 2eef s PRO 149 Ca 0.61 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 2eef s PRO 149 Cb -0.89 -4.04 -0.06 0.00 0.04 0.00 0.00 34.50 29.55 2eef s PRO 149 CO 0.54 -1.33 0.56 -3.38 0.04 0.00 0.00 177.00 173.42 2eef s HIS 150 N 5.29 3.75 0.81 0.56 -3.43 -1.26 -5.07 115.29 115.94 2eef s HIS 150 Ca 0.72 1.20 -0.11 0.00 -0.80 0.00 0.00 55.06 56.07 2eef s HIS 150 Cb -0.24 -2.51 0.08 0.00 -1.43 0.00 0.00 32.58 28.47 2eef s HIS 150 CO 0.29 0.50 1.09 0.45 -2.00 0.00 0.00 174.74 175.08 2eef s SER 151 N -0.73 4.19 0.00 7.38 0.15 -1.26 -4.93 113.70 118.49 2eef s SER 151 Ca 0.29 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2eef s SER 151 Cb -0.19 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2eef s SER 151 CO 0.17 -2.22 0.00 0.61 1.20 0.00 0.00 173.24 173.00 2eef n GLY 152 N -1.18 1.74 3.77 9.45 0.00 -1.26 -5.05 105.19 112.66 2eef n GLY 152 Ca 0.08 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 2eef n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eef s PRO 153 N -2.00 2.41 0.04 1.61 0.04 -1.26 -5.07 135.00 130.78 2eef s PRO 153 Ca 0.00 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2eef s PRO 153 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2eef s PRO 153 CO 0.00 -1.53 -0.10 0.16 0.04 0.00 0.00 177.00 175.57 2eef s ASP 154 N -3.15 1.11 -1.77 6.66 1.47 -1.26 -4.82 116.67 114.91 2eef s ASP 154 Ca 0.63 -0.51 -0.18 0.00 1.18 0.00 0.00 52.55 53.67 2eef s ASP 154 Cb -0.18 -0.01 0.17 0.00 -0.34 0.00 0.00 42.92 42.56 2eef s ASP 154 CO 0.52 -0.12 0.57 0.18 0.68 0.00 0.00 175.17 176.99 2eef n LEU 155 N 1.62 -1.18 -0.02 2.11 4.32 -1.26 -5.33 117.00 117.26 2eef n LEU 155 Ca -0.21 -1.17 0.16 0.00 -0.02 0.00 0.00 56.01 54.77 2eef n LEU 155 Cb 0.55 -1.77 0.93 0.00 -1.62 0.00 0.00 43.42 41.51 2eef n LEU 155 CO 0.22 0.22 1.10 0.61 -1.22 0.00 0.00 177.39 178.32