#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 6.26 -0.27 1.61 0.15 -1.26 -4.92 113.70 115.27 2cr5 s SER 2 Ca 0.00 -0.83 -0.04 0.00 0.70 0.00 0.00 55.95 55.78 2cr5 s SER 2 Cb 0.00 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 2cr5 s SER 2 CO 0.00 -1.67 0.52 -0.44 1.20 0.00 0.00 173.24 172.85 2cr5 s SER 3 N 4.01 -0.74 0.00 5.45 0.01 -1.26 -5.07 113.70 116.11 2cr5 s SER 3 Ca 0.36 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2cr5 s SER 3 Cb -0.07 1.79 0.00 0.00 0.21 0.00 0.00 66.02 67.95 2cr5 s SER 3 CO 0.07 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2cr5 n GLY 4 N 5.41 -0.08 3.19 3.44 0.00 -1.26 -5.03 105.19 110.86 2cr5 n GLY 4 Ca -0.05 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N 0.00 6.24 -0.09 1.61 1.04 -1.26 -5.05 113.70 116.19 2cr5 s SER 5 Ca 0.00 -3.32 -0.30 0.00 0.48 0.00 0.00 55.95 52.81 2cr5 s SER 5 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 2cr5 s SER 5 CO 0.00 -0.31 1.14 -0.55 0.98 0.00 0.00 173.24 174.50 2cr5 s SER 6 N 0.75 7.10 0.23 7.02 0.15 -1.26 -4.69 113.70 123.00 2cr5 s SER 6 Ca 0.24 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.59 2cr5 s SER 6 Cb -0.11 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2cr5 s SER 6 CO -0.09 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2cr5 n GLY 7 N 3.31 -4.98 2.57 9.45 0.00 -1.26 -4.97 105.19 109.32 2cr5 n GLY 7 Ca 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr5 n GLU 8 N 1.12 2.20 -2.11 1.61 1.02 -1.26 -5.09 120.64 118.13 2cr5 n GLU 8 Ca 0.00 -3.73 -0.41 0.00 -0.02 0.00 0.00 57.16 53.00 2cr5 n GLU 8 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 9 N -4.04 2.80 1.23 2.62 0.11 -1.26 -5.02 120.40 116.84 2cr5 s VAL 9 Ca 0.35 0.73 -0.20 0.00 -2.93 0.00 0.00 61.98 59.93 2cr5 s VAL 9 Cb 0.39 -3.47 0.30 0.00 -1.53 0.00 0.00 36.38 32.08 2cr5 s VAL 9 CO -0.03 0.14 1.11 -2.16 -3.33 0.00 0.00 175.10 170.84 2cr5 s PRO 10 N -1.00 -1.47 0.12 1.54 0.04 -1.26 -5.08 135.00 127.89 2cr5 s PRO 10 Ca 0.54 -0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.51 2cr5 s PRO 10 Cb -0.40 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2cr5 s PRO 10 CO 0.47 -3.86 -0.22 0.16 0.04 0.00 0.00 177.00 173.59 2cr5 s ASP 11 N -3.97 2.73 0.48 6.66 -4.77 -1.26 -5.06 116.67 111.47 2cr5 s ASP 11 Ca 0.72 -0.73 -0.20 0.00 -3.30 0.00 0.00 52.55 49.04 2cr5 s ASP 11 Cb -0.08 -0.16 -0.09 0.00 -1.09 0.00 0.00 42.92 41.50 2cr5 s ASP 11 CO 0.56 0.07 1.00 -0.76 0.70 0.00 0.00 175.17 176.74 2cr5 s LEU 12 N -2.07 3.83 0.00 2.11 1.43 -1.26 -5.06 118.68 117.66 2cr5 s LEU 12 Ca 0.10 1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.82 2cr5 s LEU 12 Cb -0.09 -4.55 0.26 0.00 0.03 0.00 0.00 46.19 41.85 2cr5 s LEU 12 CO 0.05 -0.64 0.94 -0.81 0.23 0.00 0.00 176.35 176.12 2cr5 n PRO 13 N -0.98 -2.88 -2.07 1.29 -0.04 -1.26 -4.97 135.00 124.09 2cr5 n PRO 13 Ca 0.08 -1.50 -0.41 0.00 -0.04 0.00 0.00 63.50 61.63 2cr5 n PRO 13 Cb 0.53 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2cr5 n PRO 13 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2cr5 s GLU 14 N -5.13 4.29 -0.08 0.54 0.41 -1.26 -4.98 118.70 112.48 2cr5 s GLU 14 Ca 0.61 2.26 -0.27 0.00 -0.41 0.00 0.00 54.97 57.15 2cr5 s GLU 14 Cb -0.06 -3.03 -0.02 0.00 -1.78 0.00 0.00 34.13 29.24 2cr5 s GLU 14 CO 0.47 -0.26 0.88 -2.00 -0.49 0.00 0.00 175.26 173.86 2cr5 s GLU 15 N -1.88 4.43 0.97 1.61 2.12 -1.26 -5.05 118.70 119.65 2cr5 s GLU 15 Ca 0.50 1.19 -0.12 0.00 0.36 0.00 0.00 54.97 56.90 2cr5 s GLU 15 Cb -0.40 -3.51 0.17 0.00 0.26 0.00 0.00 34.13 30.65 2cr5 s GLU 15 CO 0.54 -0.16 1.09 -1.25 -0.54 0.00 0.00 175.26 174.94 2cr5 s PRO 16 N 1.50 0.62 0.02 4.30 0.04 -1.26 -5.04 135.00 135.18 2cr5 s PRO 16 Ca 0.44 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.03 2cr5 s PRO 16 Cb -0.18 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2cr5 s PRO 16 CO 0.19 -2.62 0.26 -1.12 0.04 0.00 0.00 177.00 173.75 2cr5 s SER 17 N -3.44 6.46 0.50 6.66 0.01 -1.26 -4.63 113.70 117.99 2cr5 s SER 17 Ca 0.65 0.49 0.21 0.00 1.31 0.00 0.00 55.95 58.61 2cr5 s SER 17 Cb -0.18 -2.06 1.29 0.00 0.21 0.00 0.00 66.02 65.27 2cr5 s SER 17 CO 0.57 0.23 2.01 -0.08 0.41 0.00 0.00 173.24 176.38 2cr5 h GLU 18 N 3.75 0.10 0.00 12.44 4.81 -1.96 0.11 114.58 133.82 2cr5 h GLU 18 Ca -0.49 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.60 2cr5 h GLU 18 Cb 1.19 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2cr5 h GLU 18 CO 0.68 0.07 -0.64 1.79 -0.73 0.00 0.00 179.01 180.18 2cr5 h THR 19 N 0.10 1.28 -2.35 0.32 1.35 -1.96 -3.46 112.91 108.19 2cr5 h THR 19 Ca 0.23 -2.34 -0.61 0.00 -0.55 0.00 0.00 66.41 63.13 2cr5 h THR 19 Cb 0.76 2.33 0.11 0.00 -1.73 0.00 0.00 68.15 69.61 2cr5 h THR 19 CO -0.02 0.63 0.09 0.00 -0.25 0.00 0.00 175.52 175.96 2cr5 n ALA 20 N -2.34 -0.43 -1.35 6.62 0.00 0.36 -4.95 120.51 118.43 2cr5 n ALA 20 Ca -0.00 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 2cr5 n ALA 20 Cb 0.70 -1.99 0.16 0.00 0.00 0.00 0.00 19.45 18.32 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cr5 s GLU 21 N -1.47 0.62 -0.76 0.00 0.41 -1.26 -3.57 118.70 112.66 2cr5 s GLU 21 Ca 0.59 0.34 -0.10 0.00 -0.41 0.00 0.00 54.97 55.40 2cr5 s GLU 21 Cb -0.72 -1.77 0.10 0.00 -1.78 0.00 0.00 34.13 29.95 2cr5 s GLU 21 CO 0.59 -2.56 0.24 -0.85 -0.49 0.00 0.00 175.26 172.19 2cr5 n GLU 22 N -4.03 -1.93 -5.09 1.61 0.28 -1.26 -4.87 120.64 105.35 2cr5 n GLU 22 Ca 0.06 0.06 -0.32 0.00 -0.16 0.00 0.00 57.16 56.80 2cr5 n GLU 22 Cb 0.58 -4.27 -0.16 0.00 1.43 0.00 0.00 31.44 29.03 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr5 s VAL 23 N -2.39 2.39 0.37 3.84 1.01 -1.23 -1.21 120.40 123.18 2cr5 s VAL 23 Ca 0.34 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2cr5 s VAL 23 Cb -0.20 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2cr5 s VAL 23 CO 0.42 0.56 0.23 0.68 0.00 0.00 0.00 175.10 176.98 2cr5 s VAL 24 N 0.11 2.94 -0.42 2.92 -7.23 -0.65 -4.91 120.40 113.17 2cr5 s VAL 24 Ca -0.10 -1.55 -0.05 0.00 -1.81 0.00 0.00 61.98 58.47 2cr5 s VAL 24 Cb -0.16 -3.03 0.11 0.00 0.56 0.00 0.00 36.38 33.86 2cr5 s VAL 24 CO 0.06 -0.11 0.23 -0.89 -0.31 0.00 0.00 175.10 174.08 2cr5 s THR 25 N -2.44 3.57 -0.30 5.32 2.01 -1.26 -1.26 115.64 121.28 2cr5 s THR 25 Ca 0.41 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.33 2cr5 s THR 25 Cb -0.02 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 2cr5 s THR 25 CO 0.25 -0.66 0.59 -0.69 -0.69 0.00 0.00 174.62 173.42 2cr5 s VAL 26 N 1.23 4.97 -0.25 3.82 1.01 0.79 -2.98 120.40 128.99 2cr5 s VAL 26 Ca 0.06 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 2cr5 s VAL 26 Cb -0.23 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2cr5 s VAL 26 CO -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 175.10 174.94 2cr5 s ALA 27 N 2.53 2.80 -0.20 5.51 0.00 -1.22 -1.31 121.76 129.86 2cr5 s ALA 27 Ca 0.24 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 2cr5 s ALA 27 Cb -0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2cr5 s ALA 27 CO 0.11 -0.70 0.66 -0.51 0.00 0.00 0.00 175.76 175.33 2cr5 s LEU 28 N 1.41 4.15 -0.50 0.00 1.43 0.15 -0.76 118.68 124.54 2cr5 s LEU 28 Ca 0.03 0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 53.81 2cr5 s LEU 28 Cb -0.16 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.18 2cr5 s LEU 28 CO -0.03 -0.29 0.64 -0.13 0.23 0.00 0.00 176.35 176.77 2cr5 s ARG 29 N 1.96 3.14 0.43 1.70 0.52 0.64 -1.88 118.95 125.46 2cr5 s ARG 29 Ca 0.30 -0.82 -0.24 0.00 -0.52 0.00 0.00 55.73 54.45 2cr5 s ARG 29 Cb -0.16 -4.08 -0.08 0.00 0.52 0.00 0.00 34.95 31.15 2cr5 s ARG 29 CO 0.11 -1.22 1.19 0.00 0.02 0.00 0.00 175.30 175.39 2cr5 n PRO 31 N -0.15 0.13 0.04 0.00 -0.04 -1.26 -1.99 135.00 131.72 2cr5 n PRO 31 Ca 0.05 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2cr5 n PRO 31 Cb 0.47 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2cr5 n PRO 31 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cr5 n ASN 32 N -1.37 0.63 0.00 3.54 5.15 -1.26 -4.93 115.26 117.02 2cr5 n ASN 32 Ca 0.06 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2cr5 n ASN 32 Cb 0.14 0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cr5 n GLY 33 N 1.38 0.99 3.84 8.20 0.00 -0.84 -5.11 105.19 113.65 2cr5 n GLY 33 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N -0.24 4.04 -0.23 1.61 0.52 -1.25 -4.90 118.95 118.49 2cr5 s ARG 34 Ca 0.00 0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 55.82 2cr5 s ARG 34 Cb 0.00 -2.74 0.07 0.00 0.52 0.00 0.00 34.95 32.80 2cr5 s ARG 34 CO 0.00 0.34 0.01 0.08 0.02 0.00 0.00 175.30 175.75 2cr5 s VAL 35 N -1.67 1.08 -0.22 3.52 1.01 -1.26 0.29 120.40 123.14 2cr5 s VAL 35 Ca 0.45 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2cr5 s VAL 35 Cb -0.14 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2cr5 s VAL 35 CO 0.20 -0.24 0.14 -0.76 0.00 0.00 0.00 175.10 174.44 2cr5 s LEU 36 N 1.59 4.14 0.06 3.92 1.43 -0.79 -4.96 118.68 124.07 2cr5 s LEU 36 Ca -0.01 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2cr5 s LEU 36 Cb -0.18 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2cr5 s LEU 36 CO -0.10 0.12 0.13 -0.13 0.23 0.00 0.00 176.35 176.60 2cr5 s ARG 37 N 0.74 3.12 -0.17 1.70 0.52 -1.26 -0.68 118.95 122.91 2cr5 s ARG 37 Ca 0.08 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 2cr5 s ARG 37 Cb -0.12 -2.87 0.09 0.00 0.52 0.00 0.00 34.95 32.57 2cr5 s ARG 37 CO 0.02 0.60 0.81 0.50 0.02 0.00 0.00 175.30 177.24 2cr5 s ARG 38 N -2.33 0.81 0.37 3.54 3.52 -0.43 -4.99 118.95 119.45 2cr5 s ARG 38 Ca 0.30 0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 56.30 2cr5 s ARG 38 Cb -0.12 0.39 -0.07 0.00 -1.56 0.00 0.00 34.95 33.59 2cr5 s ARG 38 CO 0.23 -0.19 0.73 1.03 -0.81 0.00 0.00 175.30 176.28 2cr5 s ARG 39 N -0.50 3.78 -0.24 5.12 1.81 -1.26 -0.15 118.95 127.51 2cr5 s ARG 39 Ca -0.04 0.42 -0.12 0.00 -1.72 0.00 0.00 55.73 54.27 2cr5 s ARG 39 Cb -0.02 -2.44 0.09 0.00 -0.45 0.00 0.00 34.95 32.12 2cr5 s ARG 39 CO 0.03 0.04 0.57 -0.06 -0.68 0.00 0.00 175.30 175.20 2cr5 s PHE 40 N -2.26 -0.97 1.11 -0.53 0.08 -0.39 -4.37 117.98 110.64 2cr5 s PHE 40 Ca 0.50 1.88 -0.14 0.00 0.12 0.00 0.00 56.93 59.29 2cr5 s PHE 40 Cb -0.10 0.53 0.19 0.00 -0.57 0.00 0.00 43.02 43.07 2cr5 s PHE 40 CO 0.29 -0.50 0.67 1.19 -0.10 0.00 0.00 175.22 176.76 2cr5 n PHE 41 N 4.69 -1.07 1.15 0.36 3.72 -1.26 -1.64 117.46 123.40 2cr5 n PHE 41 Ca -0.18 0.04 0.12 0.00 -0.05 0.00 0.00 57.45 57.39 2cr5 n PHE 41 Cb 0.55 -1.71 0.24 0.00 -0.94 0.00 0.00 39.48 37.62 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -3.67 0.90 0.01 -1.08 5.02 -0.35 -3.99 118.16 115.00 2cr5 n LYS 42 Ca 0.04 -0.62 -0.07 0.00 -2.02 0.00 0.00 58.31 55.64 2cr5 n LYS 42 Cb 0.56 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 1.51 0.00 -4.27 4.39 0.87 -1.91 -3.28 113.55 110.85 2cr5 h SER 43 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2cr5 h SER 43 Cb 0.58 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 62.74 2cr5 h SER 43 CO 0.00 0.94 0.22 0.26 -0.53 0.00 0.00 176.83 177.73 2cr5 s TRP 44 N -2.67 1.59 -0.15 2.24 0.51 -1.26 -4.66 118.94 114.54 2cr5 s TRP 44 Ca -0.03 1.81 -0.08 0.00 -2.12 0.00 0.00 56.10 55.68 2cr5 s TRP 44 Cb 0.08 -3.36 -0.04 0.00 -0.81 0.00 0.00 33.47 29.35 2cr5 s TRP 44 CO 0.82 -2.84 0.11 1.21 -0.51 0.00 0.00 176.95 175.74 2cr5 s ASN 45 N -2.65 6.09 0.32 2.95 2.47 -1.26 -0.83 114.94 122.03 2cr5 s ASN 45 Ca 0.67 0.30 0.23 0.00 0.42 0.00 0.00 52.86 54.48 2cr5 s ASN 45 Cb -0.23 -2.00 1.08 0.00 -1.45 0.00 0.00 41.25 38.65 2cr5 s ASN 45 CO 0.58 0.29 1.13 -1.54 -3.72 0.00 0.00 177.10 173.84 2cr5 n SER 46 N 2.74 0.15 -0.32 -4.21 3.41 -1.25 0.16 113.62 114.30 2cr5 n SER 46 Ca -0.18 1.01 -0.05 0.00 -0.26 0.00 0.00 58.87 59.39 2cr5 n SER 46 Cb 0.53 -0.50 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 -0.08 -1.29 4.33 1.08 -1.88 0.58 115.11 117.85 2cr5 h GLN 47 Ca 0.64 0.01 0.45 0.00 -1.45 0.00 0.00 58.65 58.29 2cr5 h GLN 47 Cb 2.04 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 29.36 2cr5 h GLN 47 CO -0.34 -0.05 0.83 1.55 -0.95 0.00 0.00 178.83 179.86 2cr5 n VAL 48 N -5.42 -0.24 0.23 -0.54 3.14 0.12 -0.07 118.33 115.55 2cr5 n VAL 48 Ca 0.06 1.71 -0.17 0.00 -2.96 0.00 0.00 64.34 62.98 2cr5 n VAL 48 Cb 0.36 -2.80 -0.09 0.00 -1.06 0.00 0.00 33.84 30.24 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -1.37 -1.00 6.55 3.38 0.02 -1.96 115.31 120.93 2cr5 h LEU 49 Ca 0.83 0.12 0.34 0.00 0.09 0.00 0.00 57.88 59.26 2cr5 h LEU 49 Cb 2.66 0.47 -0.18 0.00 0.09 0.00 0.00 40.66 43.70 2cr5 h LEU 49 CO -0.45 -0.61 0.26 -0.07 0.09 0.00 0.00 178.44 177.66 2cr5 h LEU 50 N -0.90 -0.12 -0.10 1.67 3.38 -0.57 0.67 115.31 119.34 2cr5 h LEU 50 Ca -0.04 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2cr5 h LEU 50 Cb 0.81 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2cr5 h LEU 50 CO -0.13 -0.40 0.05 -0.78 0.09 0.00 0.00 178.44 177.28 2cr5 h ASP 51 N 0.00 0.13 -0.19 -0.43 3.58 -1.39 -2.08 116.42 116.04 2cr5 h ASP 51 Ca 0.72 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 58.07 2cr5 h ASP 51 Cb 1.70 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.71 2cr5 h ASP 51 CO -0.86 0.21 0.13 -0.25 -2.88 0.00 0.00 179.24 175.59 2cr5 h TRP 52 N 0.05 0.17 -0.18 0.28 7.01 0.78 -0.41 115.95 123.65 2cr5 h TRP 52 Ca 0.04 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.89 2cr5 h TRP 52 Cb 0.11 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2cr5 h TRP 52 CO -0.03 0.10 -0.53 1.98 -2.79 0.00 0.00 178.44 177.17 2cr5 h MET 53 N 0.18 0.52 0.00 2.65 4.05 -0.62 -2.83 114.93 118.88 2cr5 h MET 53 Ca 0.08 -0.31 -0.04 0.00 -0.28 0.00 0.00 59.70 59.15 2cr5 h MET 53 Cb 0.10 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2cr5 h MET 53 CO -0.01 0.92 -0.18 0.52 0.23 0.00 0.00 176.91 178.39 2cr5 h MET 54 N 0.40 0.00 0.00 0.39 2.86 -0.58 -1.67 114.93 116.33 2cr5 h MET 54 Ca 0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2cr5 h MET 54 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2cr5 h MET 54 CO 0.10 0.18 -0.57 0.87 1.06 0.00 0.00 176.91 178.55 2cr5 h LYS 55 N 0.00 0.00 0.00 1.72 1.79 -0.95 -3.19 116.57 115.94 2cr5 h LYS 55 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.26 2cr5 h LYS 55 Cb 1.09 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 2cr5 h LYS 55 CO 0.02 0.57 -1.00 -0.39 -1.08 0.00 0.00 179.45 177.57 2cr5 h VAL 56 N 0.00 1.56 0.00 0.50 -1.51 -1.48 -3.47 116.25 111.85 2cr5 h VAL 56 Ca -0.01 -3.24 0.00 0.00 -1.23 0.00 0.00 66.70 62.23 2cr5 h VAL 56 Cb 1.25 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 33.18 2cr5 h VAL 56 CO 0.07 0.89 0.00 0.61 -1.23 0.00 0.00 177.57 177.91 2cr5 n GLY 57 N 1.35 1.14 2.80 5.19 0.00 -1.19 -5.14 105.19 109.35 2cr5 n GLY 57 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.34 -0.15 0.93 1.61 2.02 -0.63 -5.02 117.35 114.76 2cr5 s TYR 58 Ca 0.00 0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 57.07 2cr5 s TYR 58 Cb 0.00 -0.31 0.15 0.00 -0.40 0.00 0.00 41.96 41.39 2cr5 s TYR 58 CO 0.00 -0.32 1.12 -1.58 -1.57 0.00 0.00 175.55 173.20 2cr5 s HIS 59 N 2.28 2.41 -0.19 2.71 2.46 -1.26 -2.37 115.29 121.33 2cr5 s HIS 59 Ca 0.04 0.93 -0.22 0.00 0.47 0.00 0.00 55.06 56.28 2cr5 s HIS 59 Cb -0.13 -3.32 -0.21 0.00 -0.13 0.00 0.00 32.58 28.79 2cr5 s HIS 59 CO -0.06 -2.48 0.34 1.57 -2.47 0.00 0.00 174.74 171.64 2cr5 h LYS 60 N -1.59 0.03 0.00 2.88 2.10 -1.90 -2.40 116.57 115.70 2cr5 h LYS 60 Ca -0.51 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2cr5 h LYS 60 Cb 1.32 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2cr5 h LYS 60 CO 0.60 1.02 -0.00 1.03 -2.00 0.00 0.00 179.45 180.10 2cr5 h SER 61 N -0.91 0.00 0.00 7.07 0.87 -2.00 -1.11 113.55 117.47 2cr5 h SER 61 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 2cr5 h SER 61 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2cr5 h SER 61 CO -0.14 0.00 -2.00 0.18 -0.53 0.00 0.00 176.83 174.34 2cr5 n LEU 62 N -3.16 0.00 -3.75 2.23 4.77 -1.26 -4.73 117.00 111.11 2cr5 n LEU 62 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 2cr5 n LEU 62 Cb 0.10 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 2cr5 n LEU 62 CO 0.22 0.01 0.00 -0.31 -1.33 0.00 0.00 177.39 175.99 2cr5 s TYR 63 N -3.48 -0.39 0.41 -1.77 1.51 -0.42 -1.78 117.35 111.43 2cr5 s TYR 63 Ca -0.08 0.93 0.07 0.00 -1.01 0.00 0.00 57.07 56.98 2cr5 s TYR 63 Cb 0.14 0.13 -0.06 0.00 -0.11 0.00 0.00 41.96 42.06 2cr5 s TYR 63 CO 0.90 -0.19 0.15 -0.98 -1.11 0.00 0.00 175.55 174.32 2cr5 s ARG 64 N 0.31 2.18 0.18 -0.62 1.70 -0.59 -3.89 118.95 118.21 2cr5 s ARG 64 Ca -0.01 -1.89 0.04 0.00 -0.47 0.00 0.00 55.73 53.40 2cr5 s ARG 64 Cb -0.03 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 2cr5 s ARG 64 CO -0.01 -0.10 0.23 -0.51 -1.08 0.00 0.00 175.30 173.83 2cr5 s LEU 65 N -3.87 4.09 0.14 -1.89 1.43 -1.26 -2.32 118.68 115.00 2cr5 s LEU 65 Ca 0.40 0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 2cr5 s LEU 65 Cb 0.05 -2.66 0.07 0.00 0.03 0.00 0.00 46.19 43.68 2cr5 s LEU 65 CO 0.22 0.03 0.68 -0.55 0.23 0.00 0.00 176.35 176.97 2cr5 s SER 66 N -3.34 -0.48 0.36 2.29 0.15 -1.08 -3.08 113.70 108.52 2cr5 s SER 66 Ca 0.33 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.94 2cr5 s SER 66 Cb -0.10 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2cr5 s SER 66 CO 0.26 -0.94 0.53 0.42 1.20 0.00 0.00 173.24 174.72 2cr5 s THR 67 N -3.62 4.23 0.90 6.45 -4.23 -1.21 -0.50 115.64 117.66 2cr5 s THR 67 Ca 0.03 -0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.63 2cr5 s THR 67 Cb -0.02 -3.51 0.13 0.00 1.34 0.00 0.00 72.50 70.45 2cr5 s THR 67 CO -0.10 -0.26 1.11 -0.44 -0.54 0.00 0.00 174.62 174.40 2cr5 s SER 68 N -4.16 3.57 -0.35 3.99 0.01 -1.20 -3.91 113.70 111.65 2cr5 s SER 68 Ca 0.45 1.17 -0.40 0.00 1.31 0.00 0.00 55.95 58.47 2cr5 s SER 68 Cb -0.10 -1.82 -0.18 0.00 0.21 0.00 0.00 66.02 64.14 2cr5 s SER 68 CO 0.33 -2.54 1.32 2.22 0.41 0.00 0.00 173.24 174.99 2cr5 n PHE 69 N -3.78 1.35 -2.21 2.43 -1.74 -1.26 -3.57 117.46 108.68 2cr5 n PHE 69 Ca 0.06 1.00 -0.42 0.00 -0.56 0.00 0.00 57.45 57.54 2cr5 n PHE 69 Cb 0.57 -1.95 -0.03 0.00 1.52 0.00 0.00 39.48 39.59 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2cr5 s PRO 70 N 2.09 4.37 -0.54 3.97 0.04 -1.26 -5.10 135.00 138.56 2cr5 s PRO 70 Ca 0.91 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.71 2cr5 s PRO 70 Cb -1.29 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 30.06 2cr5 s PRO 70 CO 0.68 -0.32 1.23 0.50 0.04 0.00 0.00 177.00 179.14 2cr5 s ARG 71 N 0.36 3.53 -0.02 4.56 3.52 -1.23 -4.75 118.95 124.91 2cr5 s ARG 71 Ca 0.59 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 2cr5 s ARG 71 Cb -0.36 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 2cr5 s ARG 71 CO 0.35 -1.65 -0.08 0.50 -0.81 0.00 0.00 175.30 173.61 2cr5 s ARG 72 N 4.94 0.85 -0.05 5.12 3.52 -1.25 -5.00 118.95 127.08 2cr5 s ARG 72 Ca 0.47 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 2cr5 s ARG 72 Cb -0.08 -0.81 -0.07 0.00 -1.56 0.00 0.00 34.95 32.43 2cr5 s ARG 72 CO 0.27 0.10 1.87 0.00 -0.81 0.00 0.00 175.30 176.73 2cr5 s ALA 73 N 0.19 3.47 0.05 6.12 0.00 -1.26 -3.33 121.76 126.99 2cr5 s ALA 73 Ca -0.03 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 2cr5 s ALA 73 Cb -0.08 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 2cr5 s ALA 73 CO 0.00 -1.70 0.89 -0.51 0.00 0.00 0.00 175.76 174.45 2cr5 s LEU 74 N 4.84 4.43 -0.75 0.00 1.43 -1.18 -5.00 118.68 122.45 2cr5 s LEU 74 Ca 0.83 1.61 -0.20 0.00 -1.03 0.00 0.00 54.13 55.34 2cr5 s LEU 74 Cb -0.37 -3.45 0.10 0.00 0.03 0.00 0.00 46.19 42.51 2cr5 s LEU 74 CO 0.36 -0.11 0.97 -0.70 0.23 0.00 0.00 176.35 177.11 2cr5 s GLU 75 N 0.35 3.30 -0.63 1.70 2.12 -1.26 -4.78 118.70 119.49 2cr5 s GLU 75 Ca 0.45 -1.32 -0.27 0.00 0.36 0.00 0.00 54.97 54.19 2cr5 s GLU 75 Cb -0.21 -4.50 -0.11 0.00 0.26 0.00 0.00 34.13 29.56 2cr5 s GLU 75 CO 0.26 -1.74 2.49 0.28 -0.54 0.00 0.00 175.26 176.02 2cr5 n VAL 76 N 5.64 -0.06 -2.46 3.70 0.31 -1.26 -4.91 118.33 119.29 2cr5 n VAL 76 Ca 0.06 -0.59 -0.32 0.00 -0.01 0.00 0.00 64.34 63.48 2cr5 n VAL 76 Cb 0.46 -2.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 2cr5 n VAL 76 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2cr5 s GLU 77 N 8.48 3.96 -0.01 5.55 2.56 -1.26 -4.89 118.70 133.09 2cr5 s GLU 77 Ca 1.08 0.93 0.17 0.00 0.00 0.00 0.00 54.97 57.15 2cr5 s GLU 77 Cb -0.46 -2.16 -0.22 0.00 2.00 0.00 0.00 34.13 33.30 2cr5 s GLU 77 CO 0.32 -0.24 0.55 0.41 -0.56 0.00 0.00 175.26 175.74 2cr5 n GLY 78 N -1.49 -0.66 0.01 -1.50 0.00 -1.26 -3.50 105.19 96.79 2cr5 n GLY 78 Ca 0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 1.46 -0.22 3.66 -0.02 0.00 -1.26 -4.97 105.19 103.85 2cr5 n GLY 79 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -3.08 6.86 1.42 1.61 0.01 -1.26 -5.05 113.70 114.20 2cr5 s SER 80 Ca -0.02 1.05 -0.23 0.00 1.31 0.00 0.00 55.95 58.06 2cr5 s SER 80 Cb 0.02 -2.42 0.36 0.00 0.21 0.00 0.00 66.02 64.19 2cr5 s SER 80 CO 0.19 -0.37 0.92 -1.54 0.41 0.00 0.00 173.24 172.84 2cr5 n SER 81 N 5.27 -3.63 0.08 2.44 3.41 -1.26 -3.89 113.62 116.04 2cr5 n SER 81 Ca 0.03 -0.95 -0.01 0.00 -0.26 0.00 0.00 58.87 57.68 2cr5 n SER 81 Cb 0.49 -0.99 0.27 0.00 -0.26 0.00 0.00 64.21 63.72 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 0.29 0.00 1.04 3.38 -1.09 -1.93 115.31 117.00 2cr5 h LEU 82 Ca -0.40 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2cr5 h LEU 82 Cb 1.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2cr5 h LEU 82 CO 0.24 0.57 -0.03 1.21 0.09 0.00 0.00 178.44 180.53 2cr5 n GLU 83 N -4.13 0.10 -0.03 1.13 2.13 -1.24 -0.14 120.64 118.46 2cr5 n GLU 83 Ca -0.01 0.08 -0.11 0.00 0.66 0.00 0.00 57.16 57.78 2cr5 n GLU 83 Cb 0.39 -1.61 -0.14 0.00 0.27 0.00 0.00 31.44 30.35 2cr5 n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2cr5 n ASP 84 N -1.78 0.96 0.10 4.31 9.92 -0.82 -4.16 116.55 125.08 2cr5 n ASP 84 Ca 0.06 0.31 -0.06 0.00 -0.53 0.00 0.00 54.79 54.58 2cr5 n ASP 84 Cb 0.37 -0.03 0.02 0.00 -0.64 0.00 0.00 41.12 40.84 2cr5 n ASP 84 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2cr5 h ILE 85 N 0.01 1.54 0.00 0.53 3.07 -1.39 -3.47 117.51 117.80 2cr5 h ILE 85 Ca -0.35 -2.65 0.00 0.00 1.55 0.00 0.00 64.86 63.40 2cr5 h ILE 85 Cb 2.05 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 41.05 2cr5 h ILE 85 CO 0.07 0.76 0.00 0.61 -1.05 0.00 0.00 178.15 178.54 2cr5 n GLY 86 N 0.78 -0.52 2.92 0.16 0.00 -1.16 -5.06 105.19 102.30 2cr5 n GLY 86 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 5.30 0.88 -0.61 -0.00 0.80 -4.70 119.36 121.03 2cr5 n ILE 87 Ca 0.00 -5.67 0.10 0.00 -0.00 0.00 0.00 62.75 57.18 2cr5 n ILE 87 Cb 0.00 -2.05 0.29 0.00 -0.00 0.00 0.00 39.64 37.88 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2cr5 n THR 88 N 1.45 0.37 -3.80 1.39 -2.24 -1.26 -3.88 114.28 106.31 2cr5 n THR 88 Ca 0.32 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2cr5 n THR 88 Cb 0.32 0.47 0.03 0.00 -2.10 0.00 0.00 70.33 69.05 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -1.63 0.00 -0.77 2.28 -7.23 -1.26 -4.93 120.40 106.86 2cr5 s VAL 89 Ca 0.33 -0.99 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 2cr5 s VAL 89 Cb 0.18 -2.98 -0.17 0.00 0.56 0.00 0.00 36.38 33.97 2cr5 s VAL 89 CO 0.25 0.00 2.42 0.47 -0.31 0.00 0.00 175.10 177.93 2cr5 n ASP 90 N -1.52 1.08 -4.47 4.85 8.00 -1.26 -4.52 116.55 118.71 2cr5 n ASP 90 Ca -0.09 -0.72 -0.36 0.00 0.71 0.00 0.00 54.79 54.33 2cr5 n ASP 90 Cb 0.60 -1.30 -0.12 0.00 -0.02 0.00 0.00 41.12 40.28 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2cr5 s THR 91 N 10.27 4.35 -0.29 -3.53 2.01 -1.16 -4.88 115.64 122.41 2cr5 s THR 91 Ca 1.09 -0.16 -0.26 0.00 0.31 0.00 0.00 61.69 62.68 2cr5 s THR 91 Cb -0.48 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.02 2cr5 s THR 91 CO 0.30 0.36 0.90 -0.69 -0.69 0.00 0.00 174.62 174.80 2cr5 s VAL 92 N 1.40 4.71 0.17 3.82 1.01 -1.26 -3.45 120.40 126.79 2cr5 s VAL 92 Ca 0.05 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2cr5 s VAL 92 Cb -0.15 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2cr5 s VAL 92 CO 0.03 -0.29 0.31 -0.76 0.00 0.00 0.00 175.10 174.40 2cr5 s LEU 93 N 3.16 4.32 -0.05 3.92 1.43 0.06 -3.26 118.68 128.26 2cr5 s LEU 93 Ca 0.37 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2cr5 s LEU 93 Cb -0.14 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.14 2cr5 s LEU 93 CO 0.12 0.02 -0.17 0.20 0.23 0.00 0.00 176.35 176.75 2cr5 s ASN 94 N -3.32 2.15 -0.56 2.29 0.01 0.35 -0.26 114.94 115.60 2cr5 s ASN 94 Ca 0.35 -0.35 -0.20 0.00 -0.71 0.00 0.00 52.86 51.94 2cr5 s ASN 94 Cb -0.11 -0.64 0.07 0.00 0.41 0.00 0.00 41.25 40.98 2cr5 s ASN 94 CO 0.29 0.14 0.74 -0.69 -1.51 0.00 0.00 177.10 176.07 2cr5 s VAL 95 N 0.09 4.71 0.31 1.60 1.01 -0.84 -2.65 120.40 124.63 2cr5 s VAL 95 Ca -0.05 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2cr5 s VAL 95 Cb -0.12 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2cr5 s VAL 95 CO 0.02 -1.03 0.26 -1.61 0.00 0.00 0.00 175.10 172.74 2cr5 s GLU 96 N 3.05 2.76 -0.15 2.72 0.41 -0.98 -4.18 118.70 122.32 2cr5 s GLU 96 Ca 0.17 -1.24 -0.25 0.00 -0.41 0.00 0.00 54.97 53.25 2cr5 s GLU 96 Cb -0.19 -2.49 -0.02 0.00 -1.78 0.00 0.00 34.13 29.65 2cr5 s GLU 96 CO 0.11 0.17 0.79 -1.21 -0.49 0.00 0.00 175.26 174.64 2cr5 s GLU 97 N -3.95 4.31 -0.00 1.61 2.02 -1.26 -1.55 118.70 119.88 2cr5 s GLU 97 Ca 0.39 0.95 -0.30 0.00 0.02 0.00 0.00 54.97 56.03 2cr5 s GLU 97 Cb -0.06 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 2cr5 s GLU 97 CO 0.26 -0.26 1.26 0.15 0.02 0.00 0.00 175.26 176.70 2cr5 s LYS 98 N 1.90 4.35 -1.10 1.61 1.02 -0.74 -4.86 119.74 121.92 2cr5 s LYS 98 Ca 0.37 1.80 -0.07 0.00 0.02 0.00 0.00 55.97 58.09 2cr5 s LYS 98 Cb -0.17 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 2cr5 s LYS 98 CO 0.13 -0.43 2.87 0.39 -0.92 0.00 0.00 175.35 177.40 2cr5 n GLU 99 N 4.86 3.53 -4.12 1.68 1.02 -1.26 -4.66 120.64 121.68 2cr5 n GLU 99 Ca 0.11 -2.41 -0.32 0.00 -0.02 0.00 0.00 57.16 54.51 2cr5 n GLU 99 Cb 0.45 -2.53 -0.02 0.00 -0.02 0.00 0.00 31.44 29.32 2cr5 n GLU 99 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2cr5 n GLN 100 N 2.46 -3.33 -3.27 3.49 6.02 -1.26 -4.92 117.38 116.57 2cr5 n GLN 100 Ca 0.64 0.39 -0.38 0.00 -0.01 0.00 0.00 57.00 57.64 2cr5 n GLN 100 Cb 0.39 -4.92 -0.06 0.00 1.02 0.00 0.00 30.24 26.68 2cr5 n GLN 100 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cr5 s SER 101 N -3.65 7.02 -0.02 1.08 0.15 -1.26 -5.08 113.70 111.95 2cr5 s SER 101 Ca 0.50 1.25 -0.19 0.00 0.70 0.00 0.00 55.95 58.20 2cr5 s SER 101 Cb -0.27 -2.35 0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2cr5 s SER 101 CO 0.91 0.22 0.40 -0.44 1.20 0.00 0.00 173.24 175.54 2cr5 s SER 102 N -1.27 -0.31 -0.94 5.45 0.01 -1.26 -5.10 113.70 110.28 2cr5 s SER 102 Ca 0.32 0.25 -0.16 0.00 1.31 0.00 0.00 55.95 57.66 2cr5 s SER 102 Cb -0.19 0.37 0.17 0.00 0.21 0.00 0.00 66.02 66.58 2cr5 s SER 102 CO 0.19 -0.49 1.05 -1.10 0.41 0.00 0.00 173.24 173.31 2cr5 s GLN 103 N -1.29 3.68 -0.60 12.44 1.11 -1.26 -4.97 119.66 128.77 2cr5 s GLN 103 Ca -0.13 -2.12 -0.07 0.00 0.01 0.00 0.00 55.36 53.05 2cr5 s GLN 103 Cb -0.04 -4.77 0.16 0.00 -1.01 0.00 0.00 33.01 27.34 2cr5 s GLN 103 CO 0.06 -1.61 0.46 -1.54 0.01 0.00 0.00 175.29 172.67 2cr5 s SER 104 N 3.02 5.72 -0.14 5.90 1.04 -1.26 -5.03 113.70 122.94 2cr5 s SER 104 Ca 0.29 -2.46 -0.24 0.00 0.48 0.00 0.00 55.95 54.02 2cr5 s SER 104 Cb -0.06 -1.98 0.06 0.00 0.10 0.00 0.00 66.02 64.14 2cr5 s SER 104 CO -0.08 -0.53 0.61 -0.83 0.98 0.00 0.00 173.24 173.38 2cr5 s GLY 105 N 1.72 -0.47 -0.02 7.32 0.00 -1.26 -5.07 107.32 109.54 2cr5 s GLY 105 Ca 0.13 1.42 -0.26 0.00 0.00 0.00 0.00 44.72 46.01 2cr5 s GLY 105 CO -0.04 1.13 1.24 -0.56 0.00 0.00 0.00 173.10 174.87 2cr5 h PRO 106 N 4.19 -0.04 -6.33 2.90 0.13 -2.07 -3.42 132.00 127.36 2cr5 h PRO 106 Ca -0.28 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 2cr5 h PRO 106 Cb 1.16 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2cr5 h PRO 106 CO 0.25 0.43 0.87 -1.12 -0.23 0.00 0.00 178.00 178.20 2cr5 s SER 107 N -5.63 6.88 0.18 1.44 0.01 -1.26 -4.93 113.70 110.38 2cr5 s SER 107 Ca -0.16 1.07 -0.26 0.00 1.31 0.00 0.00 55.95 57.91 2cr5 s SER 107 Cb 0.02 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2cr5 s SER 107 CO 0.65 -0.92 1.55 0.28 0.41 0.00 0.00 173.24 175.21 2cr5 h SER 108 N 8.33 -1.76 0.00 2.44 0.02 -2.04 -3.53 113.55 117.01 2cr5 h SER 108 Ca -0.22 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2cr5 h SER 108 Cb 1.07 0.81 0.00 0.00 0.14 0.00 0.00 62.40 64.41 2cr5 h SER 108 CO 1.04 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.04